| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 65.7 | Low | 69.7 | Low | 65 Ų | 65 | 65.4 Ų | 65.4 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | 0 | 145.5 | 0 | -164.8 | -175.4 | -167.6 | 0 | 0 | 109.8 | K5 A6 L9 F68 | M1-K5 HydrophobicContact CE-CB 3.86Å; M1-K5 HydrophobicContact CG-CB 4.4Å; M1-A6 HydrophobicContact CG-CB 4.48Å; M1-A6 HydrophobicContact SD-CB 3.95Å; M1-L9 HydrophobicContact CE-CD1 3.27Å; M1-L9 HydrophobicContact CE-CG 3.9Å; M1-L9 HydrophobicContact SD-CD1 4.02Å; M1-F68 HydrophobicContact CE-CB 3.42Å; M1-F68 VanDerWaalsContact CE-CB 3.42Å; M1-F68 HydrophobicContact CE-CD1 4.47Å; M1-F68 HydrophobicContact CE-CD2 3.11Å; M1-F68 HydrophobicContact CE-CE2 3.93Å; M1-F68 HydrophobicContact CE-CG 3.41Å; M1-F68 VanDerWaalsContact CE-CG 3.41Å | |||
| 2 | D | 72.4 | Confident | 69.9 | Low | 70 Ų | 70 | 60.3 Ų | 60.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | trans | -63.4 | 135.1 | 175.4 | -173.6 | -38.8 | 0 | 0 | 0 | 110.6 | T4 K5 A6 | D2-T4 VanDerWaalsContact CG-OG1 3.31Å; D2-T4 PolarHBondContact O-N 2.77Å; D2-T4 PolarHBondContact OD1-N 3.1Å; D2-T4 PolarHBondContact OD1-OG1 2.87Å; D2-K5 HydrophobicContact CB-CB 4.34Å; D2-K5 HydrophobicContact CB-CD 4.04Å; D2-K5 HydrophobicContact CB-CG 4.18Å; D2-K5 PolarHBondContact O-N 3.25Å; D2-A6 WeakPolarHBondContact O-CB 3.33Å; D2-A6 PolarHBondContact O-N 2.96Å | ||
| 3 | P | 66.7 | Low | 70.4 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -56 | -33.9 | -178.9 | 19.7 | -32.7 | 0 | 0 | 0 | 114.1 | A6 H7 | P3-A6 PolarHBondContact O-N 3.49Å; P3-H7 VanDerWaalsContact O-CB 3.3Å; P3-H7 WeakPolarHBondContact O-CB 3.42Å; P3-H7 PolarHBondContact O-N 3.15Å |
| 4 | T | 71.1 | Confident | 69.9 | Low | 74 Ų | 74 | 58.1 Ų | 58.1 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 177.7 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | D2 H7 A8 | D2-T4 VanDerWaalsContact CG-OG1 3.31Å; D2-T4 PolarHBondContact O-N 2.77Å; D2-T4 PolarHBondContact OD1-N 3.1Å; D2-T4 PolarHBondContact OD1-OG1 2.87Å; T4-H7 PolarHBondContact O-N 2.84Å; T4-A8 PolarHBondContact O-N 2.96Å |
| 5 | K | 76.3 | Confident | 70 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 15% | 0.148 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -40 | 176.5 | -63.3 | 176.7 | 173.1 | -170.4 | 0 | 111.7 | M1 D2 H7 A8 L9 F68 D69 | M1-K5 HydrophobicContact CE-CB 3.86Å; M1-K5 HydrophobicContact CG-CB 4.4Å; D2-K5 HydrophobicContact CB-CB 4.34Å; D2-K5 HydrophobicContact CB-CD 4.04Å; D2-K5 HydrophobicContact CB-CG 4.18Å; D2-K5 PolarHBondContact O-N 3.25Å; K5-H7 VanDerWaalsContact C-N 3.32Å; K5-H7 PolarHBondContact O-N 3.12Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-L9 PolarHBondContact O-N 3.06Å; K5-F68 HydrophobicContact CB-CD1 3.9Å; K5-F68 HydrophobicContact CB-CD2 4.42Å; K5-F68 HydrophobicContact CB-CE1 3.86Å; K5-F68 HydrophobicContact CB-CE2 4.4Å; K5-F68 HydrophobicContact CB-CG 4.13Å; K5-F68 HydrophobicContact CB-CZ 4.09Å; K5-F68 HydrophobicContact CD-CD1 3.46Å; K5-F68 VanDerWaalsContact CD-CD1 3.46Å; K5-F68 HydrophobicContact CD-CE1 3.83Å; K5-F68 HydrophobicContact CD-CG 4.19Å; K5-F68 HydrophobicContact CG-CD1 3.76Å; K5-F68 HydrophobicContact CG-CE1 3.64Å; K5-F68 HydrophobicContact CG-CG 4.46Å; K5-F68 HydrophobicContact CG-CZ 4.28Å; K5-D69 IonicContact NZ-OD1 3.62Å; K5-D69 PolarHBondContact NZ-OD1 2.81Å; K5-D69 IonicContact NZ-OD2 3.36Å; K5-D69 PolarHBondContact NZ-OD2 2.99Å |
| 6 | A | 70 | Confident | 70.4 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 D2 P3 R10 | M1-A6 HydrophobicContact CG-CB 4.48Å; M1-A6 HydrophobicContact SD-CB 3.95Å; D2-A6 WeakPolarHBondContact O-CB 3.33Å; D2-A6 PolarHBondContact O-N 2.96Å; P3-A6 PolarHBondContact O-N 3.49Å; A6-R10 WeakPolarHBondContact O-CB 3.49Å; A6-R10 PolarHBondContact O-N 3.04Å; A6-R10 VanDerWaalsContact O-N 3.07Å |
| 7 | H | 66.3 | Low | 70.8 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 173.6 | -179.2 | 70.1 | 0 | 0 | 0 | 111.5 | P3 T4 K5 L9 R10 V11 | P3-H7 VanDerWaalsContact O-CB 3.3Å; P3-H7 WeakPolarHBondContact O-CB 3.42Å; P3-H7 PolarHBondContact O-N 3.15Å; T4-H7 PolarHBondContact O-N 2.84Å; K5-H7 VanDerWaalsContact C-N 3.32Å; K5-H7 PolarHBondContact O-N 3.12Å; H7-L9 VanDerWaalsContact C-N 3.34Å; H7-L9 PolarHBondContact O-N 2.89Å; H7-R10 WeakPolarHBondContact O-CA 3.38Å; H7-R10 WeakPolarHBondContact O-CB 3.23Å; H7-R10 PolarHBondContact O-N 2.94Å; H7-V11 WeakPolarHBondContact O-CG2 3.45Å; H7-V11 PolarHBondContact O-N 3.49Å |
| 8 | A | 71 | Confident | 71 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T4 K5 R10 V11 C12 I86 H89 I90 | T4-A8 PolarHBondContact O-N 2.96Å; K5-A8 PolarHBondContact O-N 3.02Å; A8-R10 PolarHBondContact O-N 2.99Å; A8-V11 PolarHBondContact O-N 2.86Å; A8-C12 VanDerWaalsContact O-CB 3.31Å; A8-C12 WeakPolarHBondContact O-CB 3.23Å; A8-C12 PolarHBondContact O-N 2.81Å; A8-C12 PolarHBondContact O-SG 2.87Å; A8-I86 HydrophobicContact CB-CG2 4.27Å; A8-H89 HydrophobicContact CB-CB 4.01Å; A8-I90 HydrophobicContact CB-CG1 4.13Å |
| 9 | L | 74.7 | Confident | 71.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -24.5 | 173 | -77.2 | -171.8 | 0 | 0 | 0 | 113.9 | M1 K5 H7 G13 I16 L57 I60 R61 F68 F71 | M1-L9 HydrophobicContact CE-CD1 3.27Å; M1-L9 HydrophobicContact CE-CG 3.9Å; M1-L9 HydrophobicContact SD-CD1 4.02Å; K5-L9 PolarHBondContact O-N 3.06Å; H7-L9 VanDerWaalsContact C-N 3.34Å; H7-L9 PolarHBondContact O-N 2.89Å; L9-G13 VanDerWaalsContact O-CA 3.24Å; L9-G13 WeakPolarHBondContact O-CA 3.31Å; L9-G13 PolarHBondContact O-N 2.82Å; L9-G13 VanDerWaalsContact O-N 3.08Å; L9-I16 HydrophobicContact CD2-CD1 3.9Å; L9-L57 HydrophobicContact CD1-CD2 4.47Å; L9-L57 HydrophobicContact CD2-CD2 3.92Å; L9-I60 HydrophobicContact CD1-CG2 3.89Å; L9-R61 HydrophobicContact CD1-CG 4.19Å; L9-R61 PolarHBondContact O-NH2 3.38Å; L9-R61 VanDerWaalsContact O-NH2 3.1Å; L9-F68 HydrophobicContact CD1-CD2 3.88Å; L9-F68 HydrophobicContact CD1-CE2 4.19Å; L9-F68 HydrophobicContact CD2-CD2 4.06Å; L9-F68 HydrophobicContact CD2-CE2 3.68Å; L9-F68 HydrophobicContact CG-CD2 3.81Å; L9-F68 HydrophobicContact CG-CE2 3.58Å; L9-F71 HydrophobicContact CD2-CE1 4.19Å |
| 10 | R | 65.6 | Low | 71.9 | Confident | 160 Ų | 160 | 56.9 Ų | 56.9 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -78.6 | -43.3 | 178.2 | -161.4 | -178.8 | -165.7 | 154.5 | 7.2 | 111.3 | A6 H7 A8 R61 | A6-R10 WeakPolarHBondContact O-CB 3.49Å; A6-R10 PolarHBondContact O-N 3.04Å; A6-R10 VanDerWaalsContact O-N 3.07Å; H7-R10 WeakPolarHBondContact O-CA 3.38Å; H7-R10 WeakPolarHBondContact O-CB 3.23Å; H7-R10 PolarHBondContact O-N 2.94Å; A8-R10 PolarHBondContact O-N 2.99Å; R10-R61 VanDerWaalsContact CA-NH2 3.31Å |
| 11 | V | 67.1 | Low | 72.5 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -47.4 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | H7 A8 G13 P14 | H7-V11 WeakPolarHBondContact O-CG2 3.45Å; H7-V11 PolarHBondContact O-N 3.49Å; A8-V11 PolarHBondContact O-N 2.86Å; V11-G13 VanDerWaalsContact C-N 3.3Å; V11-G13 PolarHBondContact O-N 2.82Å; V11-P14 WeakPolarHBondContact O-CD 3.48Å |
| 12 | C | 72.5 | Confident | 73.3 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -80.5 | -9.3 | -179.5 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | A8 M15 I16 I86 H89 | A8-C12 VanDerWaalsContact O-CB 3.31Å; A8-C12 WeakPolarHBondContact O-CB 3.23Å; A8-C12 PolarHBondContact O-N 2.81Å; A8-C12 PolarHBondContact O-SG 2.87Å; C12-M15 PolarHBondContact O-N 3.13Å; C12-I16 HydrophobicContact CB-CD1 3.9Å; C12-I16 HydrophobicContact CB-CG1 4.27Å; C12-I16 WeakPolarHBondContact O-CG1 3.39Å; C12-I16 PolarHBondContact O-N 3.41Å; C12-I86 HydrophobicContact CB-CG1 3.99Å; C12-H89 VanDerWaalsContact SG-CD2 3.54Å |
| 13 | G | 75.9 | Confident | 73.8 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50 | -46.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L9 V11 I16 I17 | L9-G13 VanDerWaalsContact O-CA 3.24Å; L9-G13 WeakPolarHBondContact O-CA 3.31Å; L9-G13 PolarHBondContact O-N 2.82Å; L9-G13 VanDerWaalsContact O-N 3.08Å; V11-G13 VanDerWaalsContact C-N 3.3Å; V11-G13 PolarHBondContact O-N 2.82Å; G13-I16 PolarHBondContact O-N 2.78Å; G13-I17 VanDerWaalsContact O-CG1 3.27Å; G13-I17 WeakPolarHBondContact O-CG1 3Å; G13-I17 PolarHBondContact O-N 2.78Å |
| 14 | P | 63.3 | Low | 74.4 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.4 | -21.9 | 33.5 | 0 | 0 | 0 | 113.4 | V11 I17 Q18 | V11-P14 WeakPolarHBondContact O-CD 3.48Å; P14-I17 PolarHBondContact O-N 2.87Å; P14-Q18 WeakPolarHBondContact O-CG 3.11Å; P14-Q18 PolarHBondContact O-N 3.19Å |
| 15 | M | 70.8 | Confident | 75.1 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 176.3 | -82.3 | 177.3 | 74.3 | 0 | 0 | 111.2 | C12 Q18 S19 F81 L82 E85 | C12-M15 PolarHBondContact O-N 3.13Å; M15-Q18 PolarHBondContact O-N 2.76Å; M15-S19 PolarHBondContact O-N 2.75Å; M15-S19 VanDerWaalsContact O-N 3.13Å; M15-S19 PolarHBondContact O-OG 3Å; M15-F81 HydrophobicContact CE-CD2 4.41Å; M15-F81 HydrophobicContact CE-CE2 3.67Å; M15-L82 HydrophobicContact CB-CD2 4.34Å; M15-E85 HydrophobicContact CE-CG 4.35Å |
| 16 | I | 77.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 177.5 | -63.9 | 165.5 | 0 | 0 | 0 | 110 | L9 C12 G13 Q18 S19 L20 L57 F71 L82 I86 | L9-I16 HydrophobicContact CD2-CD1 3.9Å; C12-I16 HydrophobicContact CB-CD1 3.9Å; C12-I16 HydrophobicContact CB-CG1 4.27Å; C12-I16 WeakPolarHBondContact O-CG1 3.39Å; C12-I16 PolarHBondContact O-N 3.41Å; G13-I16 PolarHBondContact O-N 2.78Å; I16-Q18 PolarHBondContact O-N 3.18Å; I16-Q18 VanDerWaalsContact O-N 3.16Å; I16-S19 PolarHBondContact O-N 2.71Å; I16-L20 HydrophobicContact CG2-CB 4.03Å; I16-L20 HydrophobicContact CG2-CD1 4.15Å; I16-L20 HydrophobicContact CG2-CD2 4.04Å; I16-L20 HydrophobicContact CG2-CG 4.33Å; I16-L20 WeakPolarHBondContact O-CB 3.48Å; I16-L20 PolarHBondContact O-N 3.39Å; I16-L57 HydrophobicContact CB-CD1 4.14Å; I16-L57 HydrophobicContact CD1-CD2 4.04Å; I16-L57 HydrophobicContact CG2-CD1 3.85Å; I16-L57 HydrophobicContact CG2-CD2 4.09Å; I16-L57 HydrophobicContact CG2-CG 4.08Å; I16-F71 HydrophobicContact CG2-CZ 4.47Å; I16-L82 HydrophobicContact CG1-CD2 4.08Å; I16-I86 HydrophobicContact CD1-CD1 3.86Å; I16-I86 HydrophobicContact CD1-CG1 4.38Å; I16-I86 HydrophobicContact CG1-CD1 4.35Å |
| 17 | I | 77.5 | Confident | 76.1 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.6 | -35.5 | -179.4 | -69.9 | 166.2 | 0 | 0 | 0 | 112 | G13 P14 Q50 S53 R54 L57 | G13-I17 VanDerWaalsContact O-CG1 3.27Å; G13-I17 WeakPolarHBondContact O-CG1 3Å; G13-I17 PolarHBondContact O-N 2.78Å; P14-I17 PolarHBondContact O-N 2.87Å; I17-Q50 HydrophobicContact CG2-CB 3.88Å; I17-Q50 HydrophobicContact CG2-CG 4.21Å; I17-S53 PolarHBondContact O-OG 2.99Å; I17-R54 HydrophobicContact CD1-CB 4.34Å; I17-R54 HydrophobicContact CD1-CG 4.13Å; I17-R54 HydrophobicContact CG1-CB 4.4Å; I17-L57 HydrophobicContact CD1-CD1 4.28Å; I17-L57 HydrophobicContact CG1-CD1 3.74Å |
| 18 | Q | 73.9 | Confident | 77.1 | Confident | 151 Ų | 151 | 50.3 Ų | 50.3 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -80 | -29.7 | -177.7 | -73.8 | -176.3 | -11.7 | 0 | 0 | 114.7 | P14 M15 I16 | P14-Q18 WeakPolarHBondContact O-CG 3.11Å; P14-Q18 PolarHBondContact O-N 3.19Å; M15-Q18 PolarHBondContact O-N 2.76Å; I16-Q18 PolarHBondContact O-N 3.18Å; I16-Q18 VanDerWaalsContact O-N 3.16Å |
| 19 | S | 78.3 | Confident | 77.8 | Confident | 52 Ų | 52 | 50.4 Ų | 50.4 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -122.6 | -9 | -166.7 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | M15 I16 D21 L82 | M15-S19 PolarHBondContact O-N 2.75Å; M15-S19 VanDerWaalsContact O-N 3.13Å; M15-S19 PolarHBondContact O-OG 3Å; I16-S19 PolarHBondContact O-N 2.71Å; S19-D21 PolarHBondContact O-N 3.26Å; S19-L82 WeakPolarHBondContact OG-CD1 3.41Å; S19-L82 WeakPolarHBondContact OG-CD2 3.38Å |
| 20 | L | 81.2 | Confident | 78.3 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | trans | -71.4 | 125.2 | 174.8 | -166.9 | 79.2 | 0 | 0 | 0 | 110.4 | I16 P22 I25 I56 F71 L75 L82 | I16-L20 HydrophobicContact CG2-CB 4.03Å; I16-L20 HydrophobicContact CG2-CD1 4.15Å; I16-L20 HydrophobicContact CG2-CD2 4.04Å; I16-L20 HydrophobicContact CG2-CG 4.33Å; I16-L20 WeakPolarHBondContact O-CB 3.48Å; I16-L20 PolarHBondContact O-N 3.39Å; L20-P22 VanDerWaalsContact O-CD 3.32Å; L20-P22 WeakPolarHBondContact O-CD 3.39Å; L20-I25 HydrophobicContact CD1-CD1 3.14Å; L20-I25 HydrophobicContact CD2-CD1 4.38Å; L20-I25 HydrophobicContact CG-CD1 3.73Å; L20-I56 HydrophobicContact CD2-CG2 4.5Å; L20-F71 HydrophobicContact CD1-CE2 4.21Å; L20-F71 HydrophobicContact CD1-CZ 4.07Å; L20-F71 HydrophobicContact CD2-CE2 4.48Å; L20-L75 HydrophobicContact CD1-CD2 3.43Å; L20-L75 VanDerWaalsContact CD1-CD2 3.43Å; L20-L82 HydrophobicContact CD1-CD1 4.3Å | ||
| 21 | D | 84.9 | Confident | 79.2 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | trans | -82.3 | 110 | 161.4 | -165.3 | -16.2 | 0 | 0 | 0 | 108.9 | S19 D23 A24 | S19-D21 PolarHBondContact O-N 3.26Å; D21-D23 VanDerWaalsContact C-N 3.35Å; D21-D23 PolarHBondContact O-N 3.42Å; D21-D23 PolarHBondContact OD1-N 3.14Å; D21-A24 HydrophobicContact CB-CB 4.42Å | ||
| 22 | P | 83.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | -176.2 | -17.6 | 31 | 0 | 0 | 0 | 112.1 | L20 A24 I25 L26 T49 K52 I56 | L20-P22 VanDerWaalsContact O-CD 3.32Å; L20-P22 WeakPolarHBondContact O-CD 3.39Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 2.7Å; P22-I25 PolarHBondContact O-N 2.7Å; P22-L26 WeakPolarHBondContact O-CG 3.29Å; P22-L26 PolarHBondContact O-N 3.39Å; P22-T49 WeakPolarHBondContact CG-O 3.22Å; P22-K52 HydrophobicContact CB-CB 3.74Å; P22-K52 HydrophobicContact CB-CD 4.09Å; P22-K52 HydrophobicContact CG-CB 3.54Å; P22-K52 HydrophobicContact CG-CD 4.04Å; P22-K52 HydrophobicContact CG-CG 4.46Å; P22-I56 HydrophobicContact CB-CD1 3.68Å |
| 23 | D | 82.1 | Confident | 80.5 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.2 | -28.3 | -165.1 | -64.7 | -26.4 | 0 | 0 | 0 | 111 | D21 K52 | D21-D23 VanDerWaalsContact C-N 3.35Å; D21-D23 PolarHBondContact O-N 3.42Å; D21-D23 PolarHBondContact OD1-N 3.14Å; D23-K52 IonicContact OD1-NZ 3.95Å; D23-K52 PolarHBondContact OD1-NZ 2.62Å; D23-K52 IonicContact OD2-NZ 3.27Å; D23-K52 PolarHBondContact OD2-NZ 2.69Å; D23-K52 VanDerWaalsContact OD2-NZ 3.14Å |
| 24 | A | 80.1 | Confident | 80.9 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -77 | -21.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D21 P22 E78 | D21-A24 HydrophobicContact CB-CB 4.42Å; P22-A24 VanDerWaalsContact C-N 3.28Å; P22-A24 PolarHBondContact O-N 2.7Å; A24-E78 WeakPolarHBondContact CB-OE1 3.41Å; A24-E78 WeakPolarHBondContact CB-OE2 3.43Å |
| 25 | I | 83.9 | Confident | 81.9 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -100.1 | -26.7 | -176.5 | -56.7 | 171.2 | 0 | 0 | 0 | 111.5 | L20 P22 D27 Y28 L29 F71 A74 L75 E78 | L20-I25 HydrophobicContact CD1-CD1 3.14Å; L20-I25 HydrophobicContact CD2-CD1 4.38Å; L20-I25 HydrophobicContact CG-CD1 3.73Å; P22-I25 PolarHBondContact O-N 2.7Å; I25-D27 VanDerWaalsContact C-N 3.32Å; I25-D27 PolarHBondContact O-N 2.72Å; I25-Y28 PolarHBondContact O-N 2.89Å; I25-L29 HydrophobicContact CG2-CD1 3.81Å; I25-L29 HydrophobicContact CG2-CG 4.02Å; I25-L29 PolarHBondContact O-N 3.42Å; I25-F71 HydrophobicContact CD1-CE2 4.44Å; I25-F71 HydrophobicContact CG2-CD2 4.08Å; I25-F71 HydrophobicContact CG2-CE2 4.19Å; I25-A74 HydrophobicContact CG2-CB 3.74Å; I25-L75 HydrophobicContact CD1-CD2 3.76Å; I25-E78 HydrophobicContact CG1-CG 4.19Å |
| 26 | L | 84.6 | Confident | 82.6 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.9 | -41.8 | -177.7 | -80.6 | 169.1 | 0 | 0 | 0 | 112.4 | P22 Y28 L29 F30 I35 I43 I56 | P22-L26 WeakPolarHBondContact O-CG 3.29Å; P22-L26 PolarHBondContact O-N 3.39Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3.24Å; L26-L29 PolarHBondContact O-N 3.27Å; L26-F30 VanDerWaalsContact O-CB 3.26Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 PolarHBondContact O-N 2.99Å; L26-I35 HydrophobicContact CD2-CD1 3.72Å; L26-I43 HydrophobicContact CD1-CG2 4.14Å; L26-I43 HydrophobicContact CD2-CD1 3.71Å; L26-I56 HydrophobicContact CD1-CD1 4.46Å; L26-I56 HydrophobicContact CD2-CD1 3.95Å; L26-I56 HydrophobicContact CD2-CG1 4.17Å; L26-I56 HydrophobicContact CG-CD1 4.05Å |
| 27 | D | 84.3 | Confident | 82.8 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | 178.5 | -79.5 | -7.5 | 0 | 0 | 0 | 112 | I25 S31 | I25-D27 VanDerWaalsContact C-N 3.32Å; I25-D27 PolarHBondContact O-N 2.72Å; D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 3.35Å |
| 28 | Y | 86.8 | Confident | 83.1 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 176.8 | -171.4 | -89 | 0 | 0 | 0 | 111.2 | I25 L26 F30 S31 K32 D70 V73 A74 | I25-Y28 PolarHBondContact O-N 2.89Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3.24Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 3.04Å; Y28-S31 PolarHBondContact O-N 3.23Å; Y28-S31 PolarHBondContact O-OG 3.29Å; Y28-K32 HydrophobicContact CD1-CG 4.22Å; Y28-K32 HydrophobicContact CE1-CG 3.86Å; Y28-K32 WeakPolarHBondContact O-CG 2.63Å; Y28-K32 PolarHBondContact O-N 2.97Å; Y28-K32 VanDerWaalsContact O-N 3.08Å; Y28-K32 VanDerWaalsContact OH-CE 3.28Å; Y28-K32 WeakPolarHBondContact OH-CE 3.1Å; Y28-D70 HydrophobicContact CE1-CB 4.25Å; Y28-D70 WeakPolarHBondContact CE1-O 3.44Å; Y28-V73 HydrophobicContact CE1-CG1 4.45Å; Y28-V73 WeakPolarHBondContact OH-CG1 3.45Å; Y28-A74 HydrophobicContact CD1-CB 3.51Å; Y28-A74 HydrophobicContact CE1-CB 4.12Å; Y28-A74 HydrophobicContact CG-CB 3.93Å |
| 29 | L | 84.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 179.1 | -69 | 175.7 | 0 | 0 | 0 | 112.8 | I25 L26 S33 W34 I35 I56 F71 | I25-L29 HydrophobicContact CG2-CD1 3.81Å; I25-L29 HydrophobicContact CG2-CG 4.02Å; I25-L29 PolarHBondContact O-N 3.42Å; L26-L29 PolarHBondContact O-N 3.27Å; L29-S33 PolarHBondContact O-N 3.49Å; L29-W34 PolarHBondContact O-N 3.25Å; L29-I35 HydrophobicContact CB-CD1 3.71Å; L29-I35 HydrophobicContact CB-CG1 4.06Å; L29-I35 HydrophobicContact CD1-CD1 3.66Å; L29-I35 HydrophobicContact CG-CD1 4.35Å; L29-I56 HydrophobicContact CD1-CG2 4.39Å; L29-F71 HydrophobicContact CD1-CD2 4.21Å; L29-F71 HydrophobicContact CD2-CB 4.24Å |
| 30 | F | 85.2 | Confident | 83.9 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 40% | 0.395 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 172.4 | -174.1 | -109.8 | 0 | 0 | 0 | 111.5 | L26 Y28 K32 S33 I35 H37 I40 | L26-F30 VanDerWaalsContact O-CB 3.26Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 PolarHBondContact O-N 2.99Å; Y28-F30 VanDerWaalsContact C-N 3.31Å; Y28-F30 PolarHBondContact O-N 3.04Å; F30-K32 PolarHBondContact O-N 3.48Å; F30-S33 WeakPolarHBondContact O-CA 2.94Å; F30-S33 PolarHBondContact O-N 2.75Å; F30-I35 VanDerWaalsContact CD2-O 3.26Å; F30-I35 WeakPolarHBondContact CD2-O 2.97Å; F30-H37 HydrophobicContact CE2-CB 4.14Å; F30-H37 HydrophobicContact CZ-CB 4.49Å; F30-I40 HydrophobicContact CB-CD1 3.77Å; F30-I40 HydrophobicContact CD1-CD1 4.46Å; F30-I40 HydrophobicContact CD2-CD1 3.29Å; F30-I40 HydrophobicContact CD2-CG1 4.37Å; F30-I40 HydrophobicContact CE2-CD1 3.98Å; F30-I40 HydrophobicContact CG-CD1 3.58Å |
| 31 | S | 84.7 | Confident | 84 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.4 | -32.8 | 177.7 | 80.8 | 0 | 0 | 0 | 0 | 112.5 | D27 Y28 S33 | D27-S31 WeakPolarHBondContact O-CB 3.39Å; D27-S31 PolarHBondContact O-N 3.35Å; Y28-S31 PolarHBondContact O-N 3.23Å; Y28-S31 PolarHBondContact O-OG 3.29Å; S31-S33 VanDerWaalsContact C-N 3.27Å; S31-S33 PolarHBondContact O-N 3.38Å |
| 32 | K | 85.8 | Confident | 83.7 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5 | 175.2 | -64.1 | -62.3 | -175.2 | 178.4 | 0 | 113.9 | Y28 F30 W34 | Y28-K32 HydrophobicContact CD1-CG 4.22Å; Y28-K32 HydrophobicContact CE1-CG 3.86Å; Y28-K32 WeakPolarHBondContact O-CG 2.63Å; Y28-K32 PolarHBondContact O-N 2.97Å; Y28-K32 VanDerWaalsContact O-N 3.08Å; Y28-K32 VanDerWaalsContact OH-CE 3.28Å; Y28-K32 WeakPolarHBondContact OH-CE 3.1Å; F30-K32 PolarHBondContact O-N 3.48Å; K32-W34 VanDerWaalsContact CB-CD1 3.47Å; K32-W34 HydrophobicContact CB-CG 4.47Å; K32-W34 PolarHBondContact O-N 3Å |
| 33 | S | 81.6 | Confident | 83.8 | Confident | 105 Ų | 105 | 62.9 Ų | 62.9 | 73% | 0.734 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 21.3 | 177.4 | -40.8 | 0 | 0 | 0 | 0 | 114.8 | L29 F30 S31 | L29-S33 PolarHBondContact O-N 3.49Å; F30-S33 WeakPolarHBondContact O-CA 2.94Å; F30-S33 PolarHBondContact O-N 2.75Å; S31-S33 VanDerWaalsContact C-N 3.27Å; S31-S33 PolarHBondContact O-N 3.38Å |
| 34 | W | 84.7 | Confident | 83.7 | Confident | 55 Ų | 55 | 61.3 Ų | 61.3 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -83.3 | -26.5 | 178.5 | -67.2 | 120 | 0 | 0 | 0 | 113.5 | L29 K32 R63 P64 G66 A67 D70 | L29-W34 PolarHBondContact O-N 3.25Å; K32-W34 VanDerWaalsContact CB-CD1 3.47Å; K32-W34 HydrophobicContact CB-CG 4.47Å; K32-W34 PolarHBondContact O-N 3Å; W34-R63 PolarHBondContact O-NE 3.26Å; W34-R63 PolarHBondContact O-NH2 3.08Å; W34-P64 HydrophobicContact CH2-CG 4.13Å; W34-P64 HydrophobicContact CZ3-CG 3.73Å; W34-G66 VanDerWaalsContact CZ2-C 3.43Å; W34-A67 HydrophobicContact CD2-CB 3.57Å; W34-A67 VanDerWaalsContact CE2-CA 3.49Å; W34-A67 HydrophobicContact CE3-CB 3.56Å; W34-A67 HydrophobicContact CG-CB 4.06Å; W34-A67 HydrophobicContact CH2-CB 4.27Å; W34-A67 HydrophobicContact CZ2-CB 4.28Å; W34-A67 HydrophobicContact CZ3-CB 3.93Å; W34-D70 PolarHBondContact NE1-OD2 2.67Å |
| 35 | I | 84.5 | Confident | 83.7 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -120.2 | 133.2 | 177.9 | -59.3 | 179.4 | 0 | 0 | 0 | 107.6 | L26 L29 F30 E39 I40 I43 | L26-I35 HydrophobicContact CD2-CD1 3.72Å; L29-I35 HydrophobicContact CB-CD1 3.71Å; L29-I35 HydrophobicContact CB-CG1 4.06Å; L29-I35 HydrophobicContact CD1-CD1 3.66Å; L29-I35 HydrophobicContact CG-CD1 4.35Å; F30-I35 VanDerWaalsContact CD2-O 3.26Å; F30-I35 WeakPolarHBondContact CD2-O 2.97Å; I35-E39 WeakPolarHBondContact CA-OE2 3.23Å; I35-E39 HydrophobicContact CG2-CB 3.6Å; I35-I40 HydrophobicContact CG2-CG1 3.67Å; I35-I43 HydrophobicContact CD1-CD1 4.48Å; I35-I43 HydrophobicContact CG2-CD1 4.37Å |
| 36 | S | 85 | Confident | 83.6 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | trans | -85.7 | 162.2 | 175.6 | 66 | 0 | 0 | 0 | 0 | 112.2 | N38 E39 I40 | S36-N38 VanDerWaalsContact C-N 3.29Å; S36-N38 PolarHBondContact O-N 3.31Å; S36-E39 PolarHBondContact N-OE2 2.8Å; S36-E39 WeakPolarHBondContact O-CB 3.12Å; S36-E39 PolarHBondContact O-N 2.79Å; S36-E39 VanDerWaalsContact OG-CD 3.32Å; S36-E39 VanDerWaalsContact OG-CG 3.28Å; S36-E39 WeakPolarHBondContact OG-CG 3.48Å; S36-E39 PolarHBondContact OG-N 2.93Å; S36-E39 PolarHBondContact OG-OE2 3.41Å; S36-I40 PolarHBondContact O-N 3.19Å | ||
| 37 | H | 82.2 | Confident | 83.3 | Confident | 114 Ų | 114 | 77.6 Ų | 77.6 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -41.1 | -179.8 | -166.9 | 59.3 | 0 | 0 | 0 | 112.3 | F30 E39 I40 E41 | F30-H37 HydrophobicContact CE2-CB 4.14Å; F30-H37 HydrophobicContact CZ-CB 4.49Å; H37-E39 VanDerWaalsContact C-N 3.3Å; H37-E39 PolarHBondContact O-N 3.29Å; H37-I40 WeakPolarHBondContact O-CB 3.37Å; H37-I40 PolarHBondContact O-N 3.4Å; H37-E41 PolarHBondContact O-N 2.69Å; H37-E41 VanDerWaalsContact O-N 3.09Å |
| 38 | N | 83.9 | Confident | 82.8 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.2 | -36 | 174.8 | -67.4 | 8.3 | 0 | 0 | 0 | 112.4 | S36 E41 L42 | S36-N38 VanDerWaalsContact C-N 3.29Å; S36-N38 PolarHBondContact O-N 3.31Å; N38-E41 PolarHBondContact O-N 2.88Å; N38-L42 WeakPolarHBondContact O-CB 3.25Å; N38-L42 VanDerWaalsContact O-CG 3.29Å; N38-L42 WeakPolarHBondContact O-CG 3.4Å; N38-L42 PolarHBondContact O-N 2.91Å |
| 39 | E | 84.7 | Confident | 82.5 | Confident | 38 Ų | 38 | 75.8 Ų | 75.8 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 177 | -73.7 | 166.2 | 171.1 | 0 | 0 | 111.4 | I35 S36 H37 L42 I43 L59 R63 | I35-E39 WeakPolarHBondContact CA-OE2 3.23Å; I35-E39 HydrophobicContact CG2-CB 3.6Å; S36-E39 PolarHBondContact N-OE2 2.8Å; S36-E39 WeakPolarHBondContact O-CB 3.12Å; S36-E39 PolarHBondContact O-N 2.79Å; S36-E39 VanDerWaalsContact OG-CD 3.32Å; S36-E39 VanDerWaalsContact OG-CG 3.28Å; S36-E39 WeakPolarHBondContact OG-CG 3.48Å; S36-E39 PolarHBondContact OG-N 2.93Å; S36-E39 PolarHBondContact OG-OE2 3.41Å; H37-E39 VanDerWaalsContact C-N 3.3Å; H37-E39 PolarHBondContact O-N 3.29Å; E39-L42 PolarHBondContact O-N 3.26Å; E39-I43 WeakPolarHBondContact O-CD1 3.07Å; E39-I43 WeakPolarHBondContact O-CG1 3.48Å; E39-I43 PolarHBondContact O-N 3.31Å; E39-L59 HydrophobicContact CB-CD1 4.35Å; E39-L59 HydrophobicContact CG-CD2 4.33Å; E39-R63 VanDerWaalsContact CD-NH2 3.31Å; E39-R63 IonicContact OE1-CZ 2.84Å; E39-R63 IonicContact OE1-NH2 2.73Å; E39-R63 PolarHBondContact OE1-NH2 3.46Å; E39-R63 IonicContact OE2-NH2 3.35Å; E39-R63 PolarHBondContact OE2-NH2 3.35Å |
| 40 | I | 84.4 | Confident | 82 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 21% | 0.21 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 172.5 | -63.8 | 176.1 | 0 | 0 | 0 | 110.6 | F30 I35 S36 H37 L42 I43 G44 | F30-I40 HydrophobicContact CB-CD1 3.77Å; F30-I40 HydrophobicContact CD1-CD1 4.46Å; F30-I40 HydrophobicContact CD2-CD1 3.29Å; F30-I40 HydrophobicContact CD2-CG1 4.37Å; F30-I40 HydrophobicContact CE2-CD1 3.98Å; F30-I40 HydrophobicContact CG-CD1 3.58Å; I35-I40 HydrophobicContact CG2-CG1 3.67Å; S36-I40 PolarHBondContact O-N 3.19Å; H37-I40 WeakPolarHBondContact O-CB 3.37Å; H37-I40 PolarHBondContact O-N 3.4Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 2.87Å; I40-I43 PolarHBondContact O-N 3.11Å; I40-G44 PolarHBondContact O-N 3.4Å |
| 41 | E | 81.4 | Confident | 81.8 | Confident | 119 Ų | 119 | 79.2 Ų | 79.2 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 174.7 | -71.3 | -172.1 | 162.7 | 0 | 0 | 111.5 | H37 N38 I43 G44 L45 | H37-E41 PolarHBondContact O-N 2.69Å; H37-E41 VanDerWaalsContact O-N 3.09Å; N38-E41 PolarHBondContact O-N 2.88Å; E41-I43 VanDerWaalsContact C-N 3.29Å; E41-I43 PolarHBondContact O-N 3.13Å; E41-G44 CarbonylContact O-C 3.54Å; E41-G44 WeakPolarHBondContact O-CA 3.49Å; E41-G44 PolarHBondContact O-N 2.91Å; E41-G44 VanDerWaalsContact O-N 3.1Å; E41-L45 WeakPolarHBondContact O-CG 3.5Å; E41-L45 PolarHBondContact O-N 2.89Å |
| 42 | L | 80.2 | Confident | 81.9 | Confident | 89 Ų | 89 | 77.1 Ų | 77.1 | 47% | 0.466 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 177.2 | -76 | 168 | 0 | 0 | 0 | 113.1 | N38 E39 I40 L45 K55 | N38-L42 WeakPolarHBondContact O-CB 3.25Å; N38-L42 VanDerWaalsContact O-CG 3.29Å; N38-L42 WeakPolarHBondContact O-CG 3.4Å; N38-L42 PolarHBondContact O-N 2.91Å; E39-L42 PolarHBondContact O-N 3.26Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 2.87Å; L42-L45 HydrophobicContact CD2-CD1 4.39Å; L42-K55 PolarHBondContact O-NZ 2.91Å |
| 43 | I | 84.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.3 | -41.7 | 172.7 | -64 | 160.4 | 0 | 0 | 0 | 109.4 | L26 I35 E39 I40 E41 L45 E46 K52 K55 I56 L59 | L26-I43 HydrophobicContact CD1-CG2 4.14Å; L26-I43 HydrophobicContact CD2-CD1 3.71Å; I35-I43 HydrophobicContact CD1-CD1 4.48Å; I35-I43 HydrophobicContact CG2-CD1 4.37Å; E39-I43 WeakPolarHBondContact O-CD1 3.07Å; E39-I43 WeakPolarHBondContact O-CG1 3.48Å; E39-I43 PolarHBondContact O-N 3.31Å; I40-I43 PolarHBondContact O-N 3.11Å; E41-I43 VanDerWaalsContact C-N 3.29Å; E41-I43 PolarHBondContact O-N 3.13Å; I43-L45 VanDerWaalsContact C-N 3.26Å; I43-L45 PolarHBondContact O-N 2.83Å; I43-E46 VanDerWaalsContact O-CB 3.32Å; I43-E46 WeakPolarHBondContact O-CB 3.31Å; I43-E46 PolarHBondContact O-N 3.03Å; I43-K52 HydrophobicContact CG2-CB 3.9Å; I43-K52 HydrophobicContact CG2-CG 4Å; I43-K52 WeakPolarHBondContact O-CG 3.25Å; I43-K55 HydrophobicContact CG1-CB 4.4Å; I43-K55 HydrophobicContact CG1-CD 4.44Å; I43-K55 HydrophobicContact CG1-CG 4.49Å; I43-I56 HydrophobicContact CD1-CG1 3.97Å; I43-I56 HydrophobicContact CG2-CD1 4.47Å; I43-I56 HydrophobicContact CG2-CG1 4.32Å; I43-L59 HydrophobicContact CD1-CD1 3.67Å; I43-L59 HydrophobicContact CG1-CD1 4.2Å |
| 44 | G | 80.2 | Confident | 81.9 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -29.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I40 E41 E46 | I40-G44 PolarHBondContact O-N 3.4Å; E41-G44 CarbonylContact O-C 3.54Å; E41-G44 WeakPolarHBondContact O-CA 3.49Å; E41-G44 PolarHBondContact O-N 2.91Å; E41-G44 VanDerWaalsContact O-N 3.1Å; G44-E46 PolarHBondContact O-N 3.22Å |
| 45 | L | 81.8 | Confident | 81.9 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 70% | 0.696 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.2 | 173.8 | -73.1 | 171.2 | 0 | 0 | 0 | 113.5 | E41 L42 I43 K47 | E41-L45 WeakPolarHBondContact O-CG 3.5Å; E41-L45 PolarHBondContact O-N 2.89Å; L42-L45 HydrophobicContact CD2-CD1 4.39Å; I43-L45 VanDerWaalsContact C-N 3.26Å; I43-L45 PolarHBondContact O-N 2.83Å; L45-K47 PolarHBondContact O-N 3.4Å |
| 46 | E | 81.6 | Confident | 81.9 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | trans | -74.7 | 123.3 | 176.2 | -65.5 | -63.3 | 156.6 | 0 | 0 | 111.2 | I43 G44 T48 N51 K52 K55 | I43-E46 VanDerWaalsContact O-CB 3.32Å; I43-E46 WeakPolarHBondContact O-CB 3.31Å; I43-E46 PolarHBondContact O-N 3.03Å; G44-E46 PolarHBondContact O-N 3.22Å; E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 3.2Å; E46-N51 HydrophobicContact CB-CB 3.94Å; E46-N51 HydrophobicContact CG-CB 4.24Å; E46-N51 PolarHBondContact OE2-ND2 3.08Å; E46-K52 HydrophobicContact CB-CG 3.96Å; E46-K55 HydrophobicContact CG-CD 3.61Å; E46-K55 IonicContact OE1-NZ 3.2Å; E46-K55 PolarHBondContact OE1-NZ 3.46Å | ||
| 47 | K | 76.4 | Confident | 81.8 | Confident | 209 Ų | 209 | 71.8 Ų | 71.8 | 91% | 0.909 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -68.6 | -26.5 | -171.6 | -68.3 | -176.2 | 178.6 | -179.8 | 0 | 114.8 | L45 | L45-K47 PolarHBondContact O-N 3.4Š|
| 48 | T | 74.8 | Confident | 81.8 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -116.9 | 142.8 | -173.6 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | E46 Q50 N51 K52 | E46-T48 VanDerWaalsContact C-N 3.34Å; E46-T48 PolarHBondContact O-N 3.2Å; T48-Q50 PolarHBondContact O-N 2.98Å; T48-N51 PolarHBondContact O-N 2.98Å; T48-N51 VanDerWaalsContact OG1-CB 3.31Å; T48-N51 WeakPolarHBondContact OG1-CB 3.49Å; T48-N51 PolarHBondContact OG1-N 3.12Å; T48-N51 PolarHBondContact OG1-OD1 3.46Å; T48-K52 PolarHBondContact O-N 3.02Å |
| 49 | T | 79.8 | Confident | 81.8 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 53% | 0.534 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.3 | -36.2 | 175.3 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | P22 K52 S53 | P22-T49 WeakPolarHBondContact CG-O 3.22Å; T49-K52 WeakPolarHBondContact O-CB 3.47Å; T49-K52 PolarHBondContact O-N 3.48Å; T49-S53 PolarHBondContact O-N 2.99Å; T49-S53 PolarHBondContact O-OG 3.18Å |
| 50 | Q | 74.9 | Confident | 81.8 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 175.2 | -66.6 | -175.7 | -7.8 | 0 | 0 | 113.6 | I17 T48 S53 R54 | I17-Q50 HydrophobicContact CG2-CB 3.88Å; I17-Q50 HydrophobicContact CG2-CG 4.21Å; T48-Q50 PolarHBondContact O-N 2.98Å; Q50-S53 VanDerWaalsContact CA-OG 3.31Å; Q50-S53 WeakPolarHBondContact CA-OG 3.32Å; Q50-S53 PolarHBondContact O-OG 3.24Å; Q50-R54 WeakPolarHBondContact O-CB 3.36Å; Q50-R54 PolarHBondContact O-N 3.02Å |
| 51 | N | 80.8 | Confident | 81.5 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 34% | 0.342 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -73.3 | -40.1 | 176 | -76.5 | 2.8 | 0 | 0 | 0 | 110.8 | E46 T48 S53 R54 K55 | E46-N51 HydrophobicContact CB-CB 3.94Å; E46-N51 HydrophobicContact CG-CB 4.24Å; E46-N51 PolarHBondContact OE2-ND2 3.08Å; T48-N51 PolarHBondContact O-N 2.98Å; T48-N51 VanDerWaalsContact OG1-CB 3.31Å; T48-N51 WeakPolarHBondContact OG1-CB 3.49Å; T48-N51 PolarHBondContact OG1-N 3.12Å; T48-N51 PolarHBondContact OG1-OD1 3.46Å; N51-S53 PolarHBondContact O-N 3.23Å; N51-R54 PolarHBondContact O-N 2.76Å; N51-K55 WeakPolarHBondContact O-CB 3.49Å; N51-K55 PolarHBondContact O-N 2.72Å |
| 52 | K | 86.6 | Confident | 81.4 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.8 | -51.1 | 171.9 | -71.2 | -175.8 | 170.3 | -168.9 | 0 | 111 | P22 D23 I43 E46 T48 T49 R54 K55 I56 | P22-K52 HydrophobicContact CB-CB 3.74Å; P22-K52 HydrophobicContact CB-CD 4.09Å; P22-K52 HydrophobicContact CG-CB 3.54Å; P22-K52 HydrophobicContact CG-CD 4.04Å; P22-K52 HydrophobicContact CG-CG 4.46Å; D23-K52 IonicContact OD1-NZ 3.95Å; D23-K52 PolarHBondContact OD1-NZ 2.62Å; D23-K52 IonicContact OD2-NZ 3.27Å; D23-K52 PolarHBondContact OD2-NZ 2.69Å; D23-K52 VanDerWaalsContact OD2-NZ 3.14Å; I43-K52 HydrophobicContact CG2-CB 3.9Å; I43-K52 HydrophobicContact CG2-CG 4Å; I43-K52 WeakPolarHBondContact O-CG 3.25Å; E46-K52 HydrophobicContact CB-CG 3.96Å; T48-K52 PolarHBondContact O-N 3.02Å; T49-K52 WeakPolarHBondContact O-CB 3.47Å; T49-K52 PolarHBondContact O-N 3.48Å; K52-R54 PolarHBondContact O-N 3.49Å; K52-K55 PolarHBondContact O-N 3.23Å; K52-I56 WeakPolarHBondContact O-CG1 3.45Å; K52-I56 PolarHBondContact O-N 3.25Å |
| 53 | S | 84.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -34.3 | 179.8 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | I17 T49 Q50 N51 I56 L57 | I17-S53 PolarHBondContact O-OG 2.99Å; T49-S53 PolarHBondContact O-N 2.99Å; T49-S53 PolarHBondContact O-OG 3.18Å; Q50-S53 VanDerWaalsContact CA-OG 3.31Å; Q50-S53 WeakPolarHBondContact CA-OG 3.32Å; Q50-S53 PolarHBondContact O-OG 3.24Å; N51-S53 PolarHBondContact O-N 3.23Å; S53-I56 PolarHBondContact O-N 3.23Å; S53-L57 PolarHBondContact O-N 2.97Å |
| 54 | R | 84.5 | Confident | 81.3 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 172 | -164.3 | -176.9 | -140 | 134.7 | 3 | 112.2 | I17 Q50 N51 K52 L57 E58 | I17-R54 HydrophobicContact CD1-CB 4.34Å; I17-R54 HydrophobicContact CD1-CG 4.13Å; I17-R54 HydrophobicContact CG1-CB 4.4Å; Q50-R54 WeakPolarHBondContact O-CB 3.36Å; Q50-R54 PolarHBondContact O-N 3.02Å; N51-R54 PolarHBondContact O-N 2.76Å; K52-R54 PolarHBondContact O-N 3.49Å; R54-L57 WeakPolarHBondContact O-CB 3.44Å; R54-L57 PolarHBondContact O-N 2.8Å; R54-E58 PolarHBondContact O-N 2.73Å |
| 55 | K | 84.4 | Confident | 81.2 | Confident | 54 Ų | 54 | 72 Ų | 72 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 178.9 | -144.3 | 166.6 | -175.1 | 174.2 | 0 | 111.3 | L42 I43 E46 N51 K52 E58 L59 | L42-K55 PolarHBondContact O-NZ 2.91Å; I43-K55 HydrophobicContact CG1-CB 4.4Å; I43-K55 HydrophobicContact CG1-CD 4.44Å; I43-K55 HydrophobicContact CG1-CG 4.49Å; E46-K55 HydrophobicContact CG-CD 3.61Å; E46-K55 IonicContact OE1-NZ 3.2Å; E46-K55 PolarHBondContact OE1-NZ 3.46Å; N51-K55 WeakPolarHBondContact O-CB 3.49Å; N51-K55 PolarHBondContact O-N 2.72Å; K52-K55 PolarHBondContact O-N 3.23Å; K55-E58 PolarHBondContact O-N 3.14Å; K55-L59 WeakPolarHBondContact O-CG 3.3Å; K55-L59 PolarHBondContact O-N 3.05Å |
| 56 | I | 85 | Confident | 81.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 170.5 | -69.6 | 170.3 | 0 | 0 | 0 | 111 | L20 P22 L26 L29 I43 K52 S53 E58 L59 I60 F71 | L20-I56 HydrophobicContact CD2-CG2 4.5Å; P22-I56 HydrophobicContact CB-CD1 3.68Å; L26-I56 HydrophobicContact CD1-CD1 4.46Å; L26-I56 HydrophobicContact CD2-CD1 3.95Å; L26-I56 HydrophobicContact CD2-CG1 4.17Å; L26-I56 HydrophobicContact CG-CD1 4.05Å; L29-I56 HydrophobicContact CD1-CG2 4.39Å; I43-I56 HydrophobicContact CD1-CG1 3.97Å; I43-I56 HydrophobicContact CG2-CD1 4.47Å; I43-I56 HydrophobicContact CG2-CG1 4.32Å; K52-I56 WeakPolarHBondContact O-CG1 3.45Å; K52-I56 PolarHBondContact O-N 3.25Å; S53-I56 PolarHBondContact O-N 3.23Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 2.9Å; I56-L59 PolarHBondContact O-N 3.36Å; I56-I60 HydrophobicContact CG2-CD1 3.62Å; I56-I60 HydrophobicContact CG2-CG1 4.38Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 2.81Å; I56-F71 HydrophobicContact CG2-CE2 4.43Å |
| 57 | L | 82.4 | Confident | 81.2 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.7 | -82.5 | 169.5 | 0 | 0 | 0 | 113.3 | L9 I16 I17 S53 R54 R61 | L9-L57 HydrophobicContact CD1-CD2 4.47Å; L9-L57 HydrophobicContact CD2-CD2 3.92Å; I16-L57 HydrophobicContact CB-CD1 4.14Å; I16-L57 HydrophobicContact CD1-CD2 4.04Å; I16-L57 HydrophobicContact CG2-CD1 3.85Å; I16-L57 HydrophobicContact CG2-CD2 4.09Å; I16-L57 HydrophobicContact CG2-CG 4.08Å; I17-L57 HydrophobicContact CD1-CD1 4.28Å; I17-L57 HydrophobicContact CG1-CD1 3.74Å; S53-L57 PolarHBondContact O-N 2.97Å; R54-L57 WeakPolarHBondContact O-CB 3.44Å; R54-L57 PolarHBondContact O-N 2.8Å; L57-R61 WeakPolarHBondContact O-CG 3.47Å; L57-R61 PolarHBondContact O-N 3.42Å; L57-R61 VanDerWaalsContact O-N 3.1Å |
| 58 | E | 82.7 | Confident | 81.7 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 174.9 | -75.9 | -178.7 | 177 | 0 | 0 | 111.8 | R54 K55 I56 R61 S62 | R54-E58 PolarHBondContact O-N 2.73Å; K55-E58 PolarHBondContact O-N 3.14Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 2.9Å; E58-R61 PolarHBondContact O-N 2.73Å; E58-S62 PolarHBondContact O-N 3.36Å |
| 59 | L | 83.3 | Confident | 82.3 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 174.9 | -72.5 | 168.6 | 0 | 0 | 0 | 111.7 | E39 I43 K55 I56 R61 S62 R63 | E39-L59 HydrophobicContact CB-CD1 4.35Å; E39-L59 HydrophobicContact CG-CD2 4.33Å; I43-L59 HydrophobicContact CD1-CD1 3.67Å; I43-L59 HydrophobicContact CG1-CD1 4.2Å; K55-L59 WeakPolarHBondContact O-CG 3.3Å; K55-L59 PolarHBondContact O-N 3.05Å; I56-L59 PolarHBondContact O-N 3.36Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.1Å; L59-S62 PolarHBondContact O-N 3.12Å; L59-S62 PolarHBondContact O-OG 2.99Å; L59-R63 WeakPolarHBondContact O-CG 3.47Å; L59-R63 PolarHBondContact O-N 3.41Å |
| 60 | I | 84.3 | Confident | 82.7 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 178.3 | -67.2 | 162.6 | 0 | 0 | 0 | 111.3 | L9 I56 S62 R63 F71 | L9-I60 HydrophobicContact CD1-CG2 3.89Å; I56-I60 HydrophobicContact CG2-CD1 3.62Å; I56-I60 HydrophobicContact CG2-CG1 4.38Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 2.81Å; I60-S62 VanDerWaalsContact C-N 3.31Å; I60-S62 PolarHBondContact O-N 3.35Å; I60-R63 PolarHBondContact O-N 3.44Å; I60-F71 HydrophobicContact CD1-CB 4.02Å; I60-F71 HydrophobicContact CD1-CD1 3.89Å; I60-F71 HydrophobicContact CD1-CD2 3.35Å; I60-F71 HydrophobicContact CD1-CE1 4.14Å; I60-F71 HydrophobicContact CD1-CE2 3.63Å; I60-F71 HydrophobicContact CD1-CG 3.47Å; I60-F71 VanDerWaalsContact CD1-CG 3.47Å; I60-F71 HydrophobicContact CD1-CZ 4.01Å |
| 61 | R | 78.9 | Confident | 83.4 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.9 | -30.1 | 178.9 | -79.9 | -178.5 | -178.7 | 164.5 | 9.3 | 113.5 | L9 R10 L57 E58 L59 R63 | L9-R61 HydrophobicContact CD1-CG 4.19Å; L9-R61 PolarHBondContact O-NH2 3.38Å; L9-R61 VanDerWaalsContact O-NH2 3.1Å; R10-R61 VanDerWaalsContact CA-NH2 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.47Å; L57-R61 PolarHBondContact O-N 3.42Å; L57-R61 VanDerWaalsContact O-N 3.1Å; E58-R61 PolarHBondContact O-N 2.73Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.1Å; R61-R63 VanDerWaalsContact C-N 3.28Å |
| 62 | S | 78.3 | Confident | 83.6 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 62% | 0.615 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -79.6 | -11.8 | 178 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | E58 L59 I60 | E58-S62 PolarHBondContact O-N 3.36Å; L59-S62 PolarHBondContact O-N 3.12Å; L59-S62 PolarHBondContact O-OG 2.99Å; I60-S62 VanDerWaalsContact C-N 3.31Å; I60-S62 PolarHBondContact O-N 3.35Å |
| 63 | R | 81.6 | Confident | 83.6 | Confident | 79 Ų | 79 | 47 Ų | 47 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -93.6 | 161.7 | -177.4 | -64.4 | -74.1 | -171.2 | -148.7 | -7.2 | 112.5 | W34 E39 L59 I60 R61 A67 | W34-R63 PolarHBondContact O-NE 3.26Å; W34-R63 PolarHBondContact O-NH2 3.08Å; E39-R63 VanDerWaalsContact CD-NH2 3.31Å; E39-R63 IonicContact OE1-CZ 2.84Å; E39-R63 IonicContact OE1-NH2 2.73Å; E39-R63 PolarHBondContact OE1-NH2 3.46Å; E39-R63 IonicContact OE2-NH2 3.35Å; E39-R63 PolarHBondContact OE2-NH2 3.35Å; L59-R63 WeakPolarHBondContact O-CG 3.47Å; L59-R63 PolarHBondContact O-N 3.41Å; I60-R63 PolarHBondContact O-N 3.44Å; R61-R63 VanDerWaalsContact C-N 3.28Å; R63-A67 HydrophobicContact CB-CB 3.57Å; R63-A67 HydrophobicContact CG-CB 4.42Å |
| 64 | P | 81.8 | Confident | 83.7 | Confident | 76 Ų | 76 | 47 Ų | 47 | 49% | 0.494 | 24% | 0.244 | S | C | . | . | trans | -64 | 164.5 | 175.3 | 24.8 | -33.2 | 0 | 0 | 0 | 112.1 | W34 G66 A67 | W34-P64 HydrophobicContact CH2-CG 4.13Å; W34-P64 HydrophobicContact CZ3-CG 3.73Å; P64-G66 PolarHBondContact O-N 2.96Å; P64-A67 WeakPolarHBondContact O-CB 3.37Å; P64-A67 PolarHBondContact O-N 3.24Å | ||
| 65 | S | 77.6 | Confident | 83.7 | Confident | 52 Ų | 52 | 40.5 Ų | 40.5 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.2 | -27.2 | -173.7 | 42.8 | 0 | 0 | 0 | 0 | 114.7 | A67 F68 D69 | S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 3.34Å; S65-F68 WeakPolarHBondContact O-CB 3.45Å; S65-F68 PolarHBondContact O-N 2.94Å; S65-D69 PolarHBondContact O-N 2.89Å |
| 66 | G | 80.5 | Confident | 83.6 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.9 | -32.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | W34 P64 F68 D69 D70 | W34-G66 VanDerWaalsContact CZ2-C 3.43Å; P64-G66 PolarHBondContact O-N 2.96Å; G66-F68 VanDerWaalsContact C-N 3.25Å; G66-F68 PolarHBondContact O-N 3.2Å; G66-D69 PolarHBondContact O-N 2.96Å; G66-D69 VanDerWaalsContact O-N 3.13Å; G66-D70 PolarHBondContact O-N 3.13Å |
| 67 | A | 83.2 | Confident | 83.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W34 R63 P64 S65 F71 | W34-A67 HydrophobicContact CD2-CB 3.57Å; W34-A67 VanDerWaalsContact CE2-CA 3.49Å; W34-A67 HydrophobicContact CE3-CB 3.56Å; W34-A67 HydrophobicContact CG-CB 4.06Å; W34-A67 HydrophobicContact CH2-CB 4.27Å; W34-A67 HydrophobicContact CZ2-CB 4.28Å; W34-A67 HydrophobicContact CZ3-CB 3.93Å; R63-A67 HydrophobicContact CB-CB 3.57Å; R63-A67 HydrophobicContact CG-CB 4.42Å; P64-A67 WeakPolarHBondContact O-CB 3.37Å; P64-A67 PolarHBondContact O-N 3.24Å; S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 3.34Å; A67-F71 VanDerWaalsContact O-CB 3.25Å; A67-F71 WeakPolarHBondContact O-CB 2.97Å; A67-F71 PolarHBondContact O-N 3.34Å |
| 68 | F | 86.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 174.7 | 176.3 | -96.1 | 0 | 0 | 0 | 112 | M1 K5 L9 S65 G66 F71 L72 I86 I90 | M1-F68 HydrophobicContact CE-CB 3.42Å; M1-F68 VanDerWaalsContact CE-CB 3.42Å; M1-F68 HydrophobicContact CE-CD1 4.47Å; M1-F68 HydrophobicContact CE-CD2 3.11Å; M1-F68 HydrophobicContact CE-CE2 3.93Å; M1-F68 HydrophobicContact CE-CG 3.41Å; M1-F68 VanDerWaalsContact CE-CG 3.41Å; K5-F68 HydrophobicContact CB-CD1 3.9Å; K5-F68 HydrophobicContact CB-CD2 4.42Å; K5-F68 HydrophobicContact CB-CE1 3.86Å; K5-F68 HydrophobicContact CB-CE2 4.4Å; K5-F68 HydrophobicContact CB-CG 4.13Å; K5-F68 HydrophobicContact CB-CZ 4.09Å; K5-F68 HydrophobicContact CD-CD1 3.46Å; K5-F68 VanDerWaalsContact CD-CD1 3.46Å; K5-F68 HydrophobicContact CD-CE1 3.83Å; K5-F68 HydrophobicContact CD-CG 4.19Å; K5-F68 HydrophobicContact CG-CD1 3.76Å; K5-F68 HydrophobicContact CG-CE1 3.64Å; K5-F68 HydrophobicContact CG-CG 4.46Å; K5-F68 HydrophobicContact CG-CZ 4.28Å; L9-F68 HydrophobicContact CD1-CD2 3.88Å; L9-F68 HydrophobicContact CD1-CE2 4.19Å; L9-F68 HydrophobicContact CD2-CD2 4.06Å; L9-F68 HydrophobicContact CD2-CE2 3.68Å; L9-F68 HydrophobicContact CG-CD2 3.81Å; L9-F68 HydrophobicContact CG-CE2 3.58Å; S65-F68 WeakPolarHBondContact O-CB 3.45Å; S65-F68 PolarHBondContact O-N 2.94Å; G66-F68 VanDerWaalsContact C-N 3.25Å; G66-F68 PolarHBondContact O-N 3.2Å; F68-F71 PolarHBondContact O-N 2.95Å; F68-L72 HydrophobicContact CD1-CD1 4.47Å; F68-L72 HydrophobicContact CE1-CD1 3.63Å; F68-L72 HydrophobicContact CE2-CD1 4.26Å; F68-L72 HydrophobicContact CZ-CD1 3.54Å; F68-L72 WeakPolarHBondContact O-CB 2.96Å; F68-L72 PolarHBondContact O-N 2.96Å; F68-I86 HydrophobicContact CE2-CG2 4.04Å; F68-I86 HydrophobicContact CZ-CG2 3.6Å; F68-I90 HydrophobicContact CE1-CD1 3.66Å; F68-I90 HydrophobicContact CZ-CD1 3.75Å |
| 69 | D | 87.2 | Confident | 81.1 | Confident | 73 Ų | 73 | 46.1 Ų | 46.1 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | -179.7 | -64.7 | -37.1 | 0 | 0 | 0 | 110.4 | K5 S65 G66 L72 V73 | K5-D69 IonicContact NZ-OD1 3.62Å; K5-D69 PolarHBondContact NZ-OD1 2.81Å; K5-D69 IonicContact NZ-OD2 3.36Å; K5-D69 PolarHBondContact NZ-OD2 2.99Å; S65-D69 PolarHBondContact O-N 2.89Å; G66-D69 PolarHBondContact O-N 2.96Å; G66-D69 VanDerWaalsContact O-N 3.13Å; D69-L72 PolarHBondContact O-N 2.92Å; D69-V73 WeakPolarHBondContact O-CG2 3.5Å; D69-V73 PolarHBondContact O-N 2.94Å |
| 70 | D | 87.6 | Confident | 80.2 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -35.9 | 173.9 | -81.5 | -42.7 | 0 | 0 | 0 | 112.9 | Y28 W34 G66 L72 V73 A74 | Y28-D70 HydrophobicContact CE1-CB 4.25Å; Y28-D70 WeakPolarHBondContact CE1-O 3.44Å; W34-D70 PolarHBondContact NE1-OD2 2.67Å; G66-D70 PolarHBondContact O-N 3.13Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-V73 PolarHBondContact O-N 2.77Å; D70-A74 WeakPolarHBondContact O-CB 3.47Å; D70-A74 PolarHBondContact O-N 2.86Å |
| 71 | F | 89.8 | Confident | 80 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 171.7 | 174.7 | -113 | 0 | 0 | 0 | 111.9 | L9 I16 L20 I25 L29 I56 I60 A67 F68 V73 A74 L75 | L9-F71 HydrophobicContact CD2-CE1 4.19Å; I16-F71 HydrophobicContact CG2-CZ 4.47Å; L20-F71 HydrophobicContact CD1-CE2 4.21Å; L20-F71 HydrophobicContact CD1-CZ 4.07Å; L20-F71 HydrophobicContact CD2-CE2 4.48Å; I25-F71 HydrophobicContact CD1-CE2 4.44Å; I25-F71 HydrophobicContact CG2-CD2 4.08Å; I25-F71 HydrophobicContact CG2-CE2 4.19Å; L29-F71 HydrophobicContact CD1-CD2 4.21Å; L29-F71 HydrophobicContact CD2-CB 4.24Å; I56-F71 HydrophobicContact CG2-CE2 4.43Å; I60-F71 HydrophobicContact CD1-CB 4.02Å; I60-F71 HydrophobicContact CD1-CD1 3.89Å; I60-F71 HydrophobicContact CD1-CD2 3.35Å; I60-F71 HydrophobicContact CD1-CE1 4.14Å; I60-F71 HydrophobicContact CD1-CE2 3.63Å; I60-F71 HydrophobicContact CD1-CG 3.47Å; I60-F71 VanDerWaalsContact CD1-CG 3.47Å; I60-F71 HydrophobicContact CD1-CZ 4.01Å; A67-F71 VanDerWaalsContact O-CB 3.25Å; A67-F71 WeakPolarHBondContact O-CB 2.97Å; A67-F71 PolarHBondContact O-N 3.34Å; F68-F71 PolarHBondContact O-N 2.95Å; F71-V73 VanDerWaalsContact C-N 3.34Å; F71-A74 WeakPolarHBondContact O-CB 3.45Å; F71-A74 PolarHBondContact O-N 2.86Å; F71-L75 HydrophobicContact CD1-CD1 3.94Å; F71-L75 HydrophobicContact CE1-CD1 3.45Å; F71-L75 VanDerWaalsContact CE1-CD1 3.45Å; F71-L75 HydrophobicContact CE1-CG 4.24Å; F71-L75 HydrophobicContact CE2-CD1 4.31Å; F71-L75 HydrophobicContact CE2-CG 4.24Å; F71-L75 HydrophobicContact CZ-CD1 3.67Å; F71-L75 HydrophobicContact CZ-CD2 4.33Å; F71-L75 HydrophobicContact CZ-CG 4.06Å; F71-L75 WeakPolarHBondContact O-CG 3.33Å; F71-L75 PolarHBondContact O-N 2.8Å |
| 72 | L | 86 | Confident | 79.9 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 178.4 | -150 | 126.6 | 0 | 0 | 0 | 111.3 | F68 D69 D70 L75 D76 I86 R87 I90 | F68-L72 HydrophobicContact CD1-CD1 4.47Å; F68-L72 HydrophobicContact CE1-CD1 3.63Å; F68-L72 HydrophobicContact CE2-CD1 4.26Å; F68-L72 HydrophobicContact CZ-CD1 3.54Å; F68-L72 WeakPolarHBondContact O-CB 2.96Å; F68-L72 PolarHBondContact O-N 2.96Å; D69-L72 PolarHBondContact O-N 2.92Å; D70-L72 VanDerWaalsContact C-N 3.33Å; L72-L75 PolarHBondContact O-N 2.82Å; L72-D76 PolarHBondContact O-N 3.02Å; L72-I86 HydrophobicContact CD1-CB 4.17Å; L72-I86 HydrophobicContact CD1-CG2 3.54Å; L72-R87 HydrophobicContact CD2-CG 3.89Å; L72-I90 HydrophobicContact CD1-CD1 4.13Å |
| 73 | V | 86.2 | Confident | 80 | Confident | 66 Ų | 66 | 42 Ų | 42 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 172.3 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | Y28 D69 D70 F71 L75 D76 S77 | Y28-V73 HydrophobicContact CE1-CG1 4.45Å; Y28-V73 WeakPolarHBondContact OH-CG1 3.45Å; D69-V73 WeakPolarHBondContact O-CG2 3.5Å; D69-V73 PolarHBondContact O-N 2.94Å; D70-V73 PolarHBondContact O-N 2.77Å; F71-V73 VanDerWaalsContact C-N 3.34Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.38Å; V73-D76 PolarHBondContact O-N 2.96Å; V73-S77 PolarHBondContact O-N 2.86Å |
| 74 | A | 85.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | I25 Y28 D70 F71 D76 S77 E78 | I25-A74 HydrophobicContact CG2-CB 3.74Å; Y28-A74 HydrophobicContact CD1-CB 3.51Å; Y28-A74 HydrophobicContact CE1-CB 4.12Å; Y28-A74 HydrophobicContact CG-CB 3.93Å; D70-A74 WeakPolarHBondContact O-CB 3.47Å; D70-A74 PolarHBondContact O-N 2.86Å; F71-A74 WeakPolarHBondContact O-CB 3.45Å; F71-A74 PolarHBondContact O-N 2.86Å; A74-D76 VanDerWaalsContact C-N 3.33Å; A74-D76 PolarHBondContact O-N 2.66Å; A74-S77 PolarHBondContact O-N 2.82Å; A74-S77 PolarHBondContact O-OG 3.05Å; A74-E78 PolarHBondContact O-N 3.19Å |
| 75 | L | 85 | Confident | 79.6 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -36.6 | 173.9 | -75.9 | 174.6 | 0 | 0 | 0 | 113.4 | L20 I25 F71 L72 V73 S80 L82 A83 I86 | L20-L75 HydrophobicContact CD1-CD2 3.43Å; L20-L75 VanDerWaalsContact CD1-CD2 3.43Å; I25-L75 HydrophobicContact CD1-CD2 3.76Å; F71-L75 HydrophobicContact CD1-CD1 3.94Å; F71-L75 HydrophobicContact CE1-CD1 3.45Å; F71-L75 VanDerWaalsContact CE1-CD1 3.45Å; F71-L75 HydrophobicContact CE1-CG 4.24Å; F71-L75 HydrophobicContact CE2-CD1 4.31Å; F71-L75 HydrophobicContact CE2-CG 4.24Å; F71-L75 HydrophobicContact CZ-CD1 3.67Å; F71-L75 HydrophobicContact CZ-CD2 4.33Å; F71-L75 HydrophobicContact CZ-CG 4.06Å; F71-L75 WeakPolarHBondContact O-CG 3.33Å; F71-L75 PolarHBondContact O-N 2.8Å; L72-L75 PolarHBondContact O-N 2.82Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.38Å; L75-S80 PolarHBondContact O-N 2.79Å; L75-S80 PolarHBondContact O-OG 2.76Å; L75-L82 HydrophobicContact CD2-CB 4.34Å; L75-L82 HydrophobicContact CD2-CD1 4.21Å; L75-A83 HydrophobicContact CB-CB 3.98Å; L75-I86 HydrophobicContact CD1-CD1 3.7Å |
| 76 | D | 81.6 | Confident | 79.8 | Confident | 56 Ų | 56 | 38 Ų | 38 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 173.9 | -75.4 | -55.6 | 0 | 0 | 0 | 111.2 | L72 V73 A74 E78 G79 A83 R87 | L72-D76 PolarHBondContact O-N 3.02Å; V73-D76 PolarHBondContact O-N 2.96Å; A74-D76 VanDerWaalsContact C-N 3.33Å; A74-D76 PolarHBondContact O-N 2.66Å; D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.32Å; D76-G79 PolarHBondContact O-N 3.12Å; D76-A83 VanDerWaalsContact OD1-CB 3.25Å; D76-A83 WeakPolarHBondContact OD1-CB 3.43Å; D76-R87 IonicContact OD1-CZ 2.71Å; D76-R87 IonicContact OD1-NH1 2.59Å; D76-R87 PolarHBondContact OD1-NH1 3.34Å; D76-R87 IonicContact OD1-NH2 3.2Å; D76-R87 IonicContact OD2-CZ 3.73Å; D76-R87 IonicContact OD2-NH1 3.48Å; D76-R87 PolarHBondContact OD2-NH1 3.1Å; D76-R87 IonicContact OD2-NH2 3.65Å; D76-R87 PolarHBondContact OD2-NH2 3.22Å |
| 77 | S | 77.1 | Confident | 79.9 | Confident | 89 Ų | 89 | 42.3 Ų | 42.3 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.1 | -29.5 | -179.5 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | V73 A74 G79 | V73-S77 PolarHBondContact O-N 2.86Å; A74-S77 PolarHBondContact O-N 2.82Å; A74-S77 PolarHBondContact O-OG 3.05Å; S77-G79 PolarHBondContact O-N 2.91Å |
| 78 | E | 68.2 | Low | 79.3 | Confident | 92 Ų | 92 | 48.6 Ų | 48.6 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.5 | 171.7 | -75.6 | -91.6 | 112.1 | 0 | 0 | 113.1 | A24 I25 A74 D76 S80 | A24-E78 WeakPolarHBondContact CB-OE1 3.41Å; A24-E78 WeakPolarHBondContact CB-OE2 3.43Å; I25-E78 HydrophobicContact CG1-CG 4.19Å; A74-E78 PolarHBondContact O-N 3.19Å; D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.32Å; E78-S80 VanDerWaalsContact C-N 3.34Å |
| 79 | G | 53.2 | Low | 78.3 | Confident | 68 Ų | 68 | 52 Ų | 52 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 24.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | D76 S77 | D76-G79 PolarHBondContact O-N 3.12Å; S77-G79 PolarHBondContact O-N 2.91Å |
| 80 | S | 63.5 | Low | 77.5 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | trans | -82 | 133.5 | -171.2 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | L75 E78 L82 A83 | L75-S80 PolarHBondContact O-N 2.79Å; L75-S80 PolarHBondContact O-OG 2.76Å; E78-S80 VanDerWaalsContact C-N 3.34Å; S80-L82 PolarHBondContact O-N 3.23Å; S80-L82 VanDerWaalsContact O-N 3.09Å; S80-A83 PolarHBondContact O-N 3.38Å | ||
| 81 | F | 79.5 | Confident | 75.6 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.6 | -22.7 | 170.1 | 71.8 | -83.1 | 0 | 0 | 0 | 112.6 | M15 A83 T84 E85 | M15-F81 HydrophobicContact CE-CD2 4.41Å; M15-F81 HydrophobicContact CE-CE2 3.67Å; F81-A83 VanDerWaalsContact C-N 3.34Å; F81-A83 PolarHBondContact O-N 2.82Å; F81-T84 PolarHBondContact O-N 3.42Å; F81-T84 PolarHBondContact O-OG1 3.48Å; F81-E85 PolarHBondContact O-N 2.88Å; F81-E85 VanDerWaalsContact O-N 3.17Å |
| 82 | L | 78.7 | Confident | 73.1 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.8 | -43.2 | 177.7 | -74.6 | 170.2 | 0 | 0 | 0 | 112.8 | M15 I16 S19 L20 L75 S80 T84 E85 I86 | M15-L82 HydrophobicContact CB-CD2 4.34Å; I16-L82 HydrophobicContact CG1-CD2 4.08Å; S19-L82 WeakPolarHBondContact OG-CD1 3.41Å; S19-L82 WeakPolarHBondContact OG-CD2 3.38Å; L20-L82 HydrophobicContact CD1-CD1 4.3Å; L75-L82 HydrophobicContact CD2-CB 4.34Å; L75-L82 HydrophobicContact CD2-CD1 4.21Å; S80-L82 PolarHBondContact O-N 3.23Å; S80-L82 VanDerWaalsContact O-N 3.09Å; L82-T84 VanDerWaalsContact C-N 3.29Å; L82-T84 PolarHBondContact O-N 2.72Å; L82-E85 PolarHBondContact O-N 3.27Å; L82-I86 VanDerWaalsContact O-CG1 3.26Å; L82-I86 WeakPolarHBondContact O-CG1 3.41Å; L82-I86 PolarHBondContact O-N 3.28Å |
| 83 | A | 79.4 | Confident | 70.4 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L75 D76 S80 F81 R87 | L75-A83 HydrophobicContact CB-CB 3.98Å; D76-A83 VanDerWaalsContact OD1-CB 3.25Å; D76-A83 WeakPolarHBondContact OD1-CB 3.43Å; S80-A83 PolarHBondContact O-N 3.38Å; F81-A83 VanDerWaalsContact C-N 3.34Å; F81-A83 PolarHBondContact O-N 2.82Å; A83-R87 WeakPolarHBondContact O-CG 3.36Å; A83-R87 PolarHBondContact O-N 3.03Å |
| 84 | T | 79.7 | Confident | 67.9 | Low | 72 Ų | 72 | 63 Ų | 63 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 177.8 | 66 | 0 | 0 | 0 | 0 | 112.1 | F81 L82 R87 K88 | F81-T84 PolarHBondContact O-N 3.42Å; F81-T84 PolarHBondContact O-OG1 3.48Å; L82-T84 VanDerWaalsContact C-N 3.29Å; L82-T84 PolarHBondContact O-N 2.72Å; T84-R87 PolarHBondContact O-N 3.07Å; T84-K88 WeakPolarHBondContact O-CG 3.49Å; T84-K88 PolarHBondContact O-N 3.44Å; T84-K88 VanDerWaalsContact O-N 3.1Å |
| 85 | E | 76.2 | Confident | 65.1 | Low | 51 Ų | 51 | 72.2 Ų | 72.2 | 24% | 0.238 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.1 | -41.6 | 180 | -153.3 | 60.3 | -155.5 | 0 | 0 | 111.7 | M15 F81 L82 R87 K88 H89 | M15-E85 HydrophobicContact CE-CG 4.35Å; F81-E85 PolarHBondContact O-N 2.88Å; F81-E85 VanDerWaalsContact O-N 3.17Å; L82-E85 PolarHBondContact O-N 3.27Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.89Å; E85-K88 WeakPolarHBondContact O-CB 3.46Å; E85-K88 PolarHBondContact O-N 3.42Å; E85-K88 IonicContact OE1-NZ 3.98Å; E85-K88 WeakPolarHBondContact OE2-CD 3.45Å; E85-K88 WeakPolarHBondContact OE2-CE 3.25Å; E85-K88 IonicContact OE2-NZ 3.4Å; E85-K88 PolarHBondContact OE2-NZ 2.96Å; E85-H89 PolarHBondContact O-CD2 3.4Å; E85-H89 VanDerWaalsContact O-CD2 3.29Å; E85-H89 PolarHBondContact O-N 3.41Å |
| 86 | I | 80.4 | Confident | 62.3 | Low | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.5 | -63.8 | 166 | 0 | 0 | 0 | 110.2 | A8 C12 I16 F68 L72 L75 L82 K88 H89 I90 | A8-I86 HydrophobicContact CB-CG2 4.27Å; C12-I86 HydrophobicContact CB-CG1 3.99Å; I16-I86 HydrophobicContact CD1-CD1 3.86Å; I16-I86 HydrophobicContact CD1-CG1 4.38Å; I16-I86 HydrophobicContact CG1-CD1 4.35Å; F68-I86 HydrophobicContact CE2-CG2 4.04Å; F68-I86 HydrophobicContact CZ-CG2 3.6Å; L72-I86 HydrophobicContact CD1-CB 4.17Å; L72-I86 HydrophobicContact CD1-CG2 3.54Å; L75-I86 HydrophobicContact CD1-CD1 3.7Å; L82-I86 VanDerWaalsContact O-CG1 3.26Å; L82-I86 WeakPolarHBondContact O-CG1 3.41Å; L82-I86 PolarHBondContact O-N 3.28Å; I86-K88 PolarHBondContact O-N 3.35Å; I86-H89 PolarHBondContact O-N 3.01Å; I86-I90 HydrophobicContact CG2-CD1 4.14Å; I86-I90 WeakPolarHBondContact O-CG1 3.26Å; I86-I90 PolarHBondContact O-N 3.21Å |
| 87 | R | 81.9 | Confident | 59.7 | Low | 117 Ų | 117 | 86.8 Ų | 86.8 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 177.1 | -77.4 | 177.6 | 177.2 | 145.2 | -3.3 | 113.4 | L72 D76 A83 T84 E85 H89 I90 A91 | L72-R87 HydrophobicContact CD2-CG 3.89Å; D76-R87 IonicContact OD1-CZ 2.71Å; D76-R87 IonicContact OD1-NH1 2.59Å; D76-R87 PolarHBondContact OD1-NH1 3.34Å; D76-R87 IonicContact OD1-NH2 3.2Å; D76-R87 IonicContact OD2-CZ 3.73Å; D76-R87 IonicContact OD2-NH1 3.48Å; D76-R87 PolarHBondContact OD2-NH1 3.1Å; D76-R87 IonicContact OD2-NH2 3.65Å; D76-R87 PolarHBondContact OD2-NH2 3.22Å; A83-R87 WeakPolarHBondContact O-CG 3.36Å; A83-R87 PolarHBondContact O-N 3.03Å; T84-R87 PolarHBondContact O-N 3.07Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.89Å; R87-H89 PolarHBondContact O-N 3.49Å; R87-I90 PolarHBondContact O-N 3.47Å; R87-A91 PolarHBondContact O-N 3.02Å; R87-A91 VanDerWaalsContact O-N 3.09Å |
| 88 | K | 72 | Confident | 57.3 | Low | 133 Ų | 133 | 90.5 Ų | 90.5 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.7 | -35.5 | 175.4 | -72.6 | 175.5 | -171.5 | 165.7 | 0 | 112 | T84 E85 I86 | T84-K88 WeakPolarHBondContact O-CG 3.49Å; T84-K88 PolarHBondContact O-N 3.44Å; T84-K88 VanDerWaalsContact O-N 3.1Å; E85-K88 WeakPolarHBondContact O-CB 3.46Å; E85-K88 PolarHBondContact O-N 3.42Å; E85-K88 IonicContact OE1-NZ 3.98Å; E85-K88 WeakPolarHBondContact OE2-CD 3.45Å; E85-K88 WeakPolarHBondContact OE2-CE 3.25Å; E85-K88 IonicContact OE2-NZ 3.4Å; E85-K88 PolarHBondContact OE2-NZ 2.96Å; I86-K88 PolarHBondContact O-N 3.35Å |
| 89 | H | 65.2 | Low | 55.4 | Low | 74 Ų | 74 | 94.3 Ų | 94.3 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -81.4 | -13.3 | 177.9 | -70 | -69.8 | 0 | 0 | 0 | 114.2 | A8 C12 E85 I86 R87 | A8-H89 HydrophobicContact CB-CB 4.01Å; C12-H89 VanDerWaalsContact SG-CD2 3.54Å; E85-H89 PolarHBondContact O-CD2 3.4Å; E85-H89 VanDerWaalsContact O-CD2 3.29Å; E85-H89 PolarHBondContact O-N 3.41Å; I86-H89 PolarHBondContact O-N 3.01Å; R87-H89 PolarHBondContact O-N 3.49Å |
| 90 | I | 69.7 | Low | 54.5 | Low | 55 Ų | 55 | 98.5 Ų | 98.5 | 28% | 0.282 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -88.1 | -35.2 | 175 | -60.8 | 166.7 | 0 | 0 | 0 | 111.4 | A8 F68 L72 I86 R87 | A8-I90 HydrophobicContact CB-CG1 4.13Å; F68-I90 HydrophobicContact CE1-CD1 3.66Å; F68-I90 HydrophobicContact CZ-CD1 3.75Å; L72-I90 HydrophobicContact CD1-CD1 4.13Å; I86-I90 HydrophobicContact CG2-CD1 4.14Å; I86-I90 WeakPolarHBondContact O-CG1 3.26Å; I86-I90 PolarHBondContact O-N 3.21Å; R87-I90 PolarHBondContact O-N 3.47Å |
| 91 | A | 48 | Very low | 53.4 | Low | 57 Ų | 57 | 99.2 Ų | 99.2 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -64.8 | 126.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R87 S93 | R87-A91 PolarHBondContact O-N 3.02Å; R87-A91 VanDerWaalsContact O-N 3.09Å; A91-S93 PolarHBondContact O-N 3.05Å; A91-S93 VanDerWaalsContact O-N 3.11Å |
| 92 | P | 38.8 | Very low | 51.4 | Low | 118 Ų | 118 | 99.6 Ų | 99.6 | 77% | 0.766 | 50% | 0.495 | S | S | * | . | trans | -76.7 | 98.9 | 175.6 | 29.4 | -30.8 | 0 | 0 | 0 | 109.4 | ||||
| 93 | S | 28.8 | Very low | 49.7 | Very low | 69 Ų | 69 | 102.8 Ų | 102.8 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | trans | -71.4 | 132.5 | 171.3 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | A91 F95 | A91-S93 PolarHBondContact O-N 3.05Å; A91-S93 VanDerWaalsContact O-N 3.11Å; S93-F95 PolarHBondContact O-N 3Å | ||
| 94 | P | 33.9 | Very low | 48 | Very low | 121 Ų | 121 | 107.2 Ų | 107.2 | 79% | 0.786 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -76.6 | -0.3 | -176.7 | 29.2 | -32.6 | 0 | 0 | 0 | 113.9 | ||
| 95 | F | 25.4 | Very low | 46.6 | Very low | 195 Ų | 195 | 105.6 Ų | 105.6 | 86% | 0.855 | 53% | 0.529 | S | S | * | . | trans | -116.7 | 56.2 | 173.5 | -70.4 | -80.2 | 0 | 0 | 0 | 110.7 | S93 K97 | S93-F95 PolarHBondContact O-N 3Å; F95-K97 VanDerWaalsContact C-N 3.35Å; F95-K97 PolarHBondContact O-N 2.9Å; F95-K97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | R | 26.8 | Very low | 45.2 | Very low | 173 Ų | 173 | 107.8 Ų | 107.8 | 65% | 0.653 | 54% | 0.535 | S | S | * | . | trans | -76.9 | 92.5 | 162.8 | -81.6 | -174.1 | 177.9 | 175 | 0.9 | 108.3 | K98 | R96-K98 VanDerWaalsContact C-N 3.32Å; R96-K98 PolarHBondContact O-N 3.17Å | ||
| 97 | K | 26.8 | Very low | 43.7 | Very low | 191 Ų | 191 | 114.4 Ų | 114.4 | 83% | 0.83 | 57% | 0.567 | S | S | * | * | trans | -49 | 110.7 | 143 | -76.8 | -177.7 | 175.7 | -177.7 | 0 | 104.5 | F95 E99 | F95-K97 VanDerWaalsContact C-N 3.35Å; F95-K97 PolarHBondContact O-N 2.9Å; F95-K97 VanDerWaalsContact O-N 3.11Å; K97-E99 PolarHBondContact O-N 3.21Å | ||
| 98 | K | 27.7 | Very low | 42.3 | Very low | 166 Ų | 166 | 111.7 Ų | 111.7 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | trans | -66.8 | 79.6 | 174.5 | -81.7 | -176.1 | 174.6 | -178 | 0 | 106.5 | R96 H100 | R96-K98 VanDerWaalsContact C-N 3.32Å; R96-K98 PolarHBondContact O-N 3.17Å; K98-H100 PolarHBondContact O-N 3.28Å; K98-H100 VanDerWaalsContact O-N 3.08Å | ||
| 99 | E | 27.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 105.5 Ų | 105.5 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | trans | -54.5 | 113.7 | 158.7 | -74 | 177.8 | 172.9 | 0 | 0 | 105.4 | K97 S101 | K97-E99 PolarHBondContact O-N 3.21Å; E99-S101 PolarHBondContact O-N 3.12Å | ||
| 100 | H | 34.3 | Very low | 40.5 | Very low | 156 Ų | 156 | 105.5 Ų | 105.5 | 72% | 0.722 | 54% | 0.536 | S | S | * | . | trans | -45.6 | 109.3 | -179.2 | -64.1 | -78.4 | 0 | 0 | 0 | 108.9 | K98 L102 | K98-H100 PolarHBondContact O-N 3.28Å; K98-H100 VanDerWaalsContact O-N 3.08Å; H100-L102 PolarHBondContact O-N 3.12Å | ||
| 101 | S | 40 | Very low | 39.9 | Very low | 42 Ų | 42 | 108.2 Ų | 108.2 | 29% | 0.294 | 55% | 0.547 | S | S | . | . | trans | -69.5 | 127.3 | -170.6 | 85.2 | 0 | 0 | 0 | 0 | 107.6 | E99 S103 D104 | E99-S101 PolarHBondContact O-N 3.12Å; S101-S103 VanDerWaalsContact CB-OG 3.3Å; S101-S103 WeakPolarHBondContact CB-OG 3.33Å; S101-S103 PolarHBondContact O-N 3.23Å; S101-S103 PolarHBondContact OG-OG 2.83Å; S101-D104 PolarHBondContact O-N 2.96Å; S101-D104 VanDerWaalsContact OG-CG 3.24Å; S101-D104 PolarHBondContact OG-N 3.2Å; S101-D104 PolarHBondContact OG-OD2 2.86Å | ||
| 102 | L | 39.4 | Very low | 40.2 | Very low | 124 Ų | 124 | 105.5 Ų | 105.5 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -49.8 | -20.5 | 172.5 | -83.3 | 154.3 | 0 | 0 | 0 | 112.8 | H100 R106 | H100-L102 PolarHBondContact O-N 3.12Å; L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.45Å |
| 103 | S | 41.4 | Very low | 41.2 | Very low | 71 Ų | 71 | 101 Ų | 101 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 170.8 | 14.2 | 0 | 0 | 0 | 0 | 113.9 | S101 L105 R106 E107 | S101-S103 VanDerWaalsContact CB-OG 3.3Å; S101-S103 WeakPolarHBondContact CB-OG 3.33Å; S101-S103 PolarHBondContact O-N 3.23Å; S101-S103 PolarHBondContact OG-OG 2.83Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 3.1Å; S103-R106 WeakPolarHBondContact O-CB 3.43Å; S103-R106 PolarHBondContact O-N 2.98Å; S103-R106 VanDerWaalsContact O-N 3.11Å; S103-E107 PolarHBondContact O-N 3.17Å; S103-E107 VanDerWaalsContact O-N 3.11Å |
| 104 | D | 43.6 | Very low | 43 | Very low | 94 Ų | 94 | 97.9 Ų | 97.9 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | -178.2 | -56.2 | -43.5 | 0 | 0 | 0 | 110.4 | S101 R106 E107 L108 | S101-D104 PolarHBondContact O-N 2.96Å; S101-D104 VanDerWaalsContact OG-CG 3.24Å; S101-D104 PolarHBondContact OG-N 3.2Å; S101-D104 PolarHBondContact OG-OD2 2.86Å; D104-R106 VanDerWaalsContact C-N 3.27Å; D104-R106 PolarHBondContact O-N 2.91Å; D104-E107 PolarHBondContact O-N 3.43Å; D104-L108 PolarHBondContact O-N 2.83Å |
| 105 | L | 51.6 | Low | 44.1 | Very low | 37 Ų | 37 | 92.3 Ų | 92.3 | 19% | 0.194 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.3 | -35.5 | 172.4 | -126.1 | 156.9 | 0 | 0 | 0 | 111.6 | S103 L109 L205 | S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 3.1Å; L105-L109 HydrophobicContact CD2-CD1 3.76Å; L105-L109 HydrophobicContact CD2-CG 4.07Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 WeakPolarHBondContact O-CG 3.47Å; L105-L109 PolarHBondContact O-N 3.16Å; L105-L109 VanDerWaalsContact O-N 3.13Å; L105-L205 HydrophobicContact CD1-CD1 3.51Å; L105-L205 HydrophobicContact CD2-CD1 3.7Å; L105-L205 HydrophobicContact CG-CD1 4.1Å |
| 106 | R | 45.8 | Very low | 45.8 | Very low | 97 Ų | 97 | 86.3 Ų | 86.3 | 37% | 0.366 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 178.1 | -170.3 | 178.1 | 178 | -160.5 | -5.1 | 112 | L102 S103 D104 L110 D116 | L102-R106 WeakPolarHBondContact O-CB 3.37Å; L102-R106 PolarHBondContact O-N 3.45Å; S103-R106 WeakPolarHBondContact O-CB 3.43Å; S103-R106 PolarHBondContact O-N 2.98Å; S103-R106 VanDerWaalsContact O-N 3.11Å; D104-R106 VanDerWaalsContact C-N 3.27Å; D104-R106 PolarHBondContact O-N 2.91Å; R106-L110 HydrophobicContact CG-CD1 4.19Å; R106-L110 WeakPolarHBondContact O-CD1 3.46Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.33Å; R106-L110 PolarHBondContact O-N 3.23Å; R106-D116 IonicContact CZ-OD1 3.49Å; R106-D116 IonicContact CZ-OD2 2.75Å; R106-D116 IonicContact NE-OD1 2.85Å; R106-D116 PolarHBondContact NE-OD1 3.38Å; R106-D116 VanDerWaalsContact NE-OD1 3.08Å; R106-D116 VanDerWaalsContact NH2-CG 3.3Å; R106-D116 IonicContact NH2-OD1 3.87Å; R106-D116 PolarHBondContact NH2-OD1 3.19Å; R106-D116 VanDerWaalsContact NH2-OD1 3.13Å; R106-D116 IonicContact NH2-OD2 3.58Å; R106-D116 PolarHBondContact NH2-OD2 3.03Å |
| 107 | E | 49.3 | Very low | 47.8 | Very low | 141 Ų | 141 | 83.5 Ų | 83.5 | 66% | 0.659 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 176.4 | -72.9 | -174.1 | 177.7 | 0 | 0 | 111.7 | S103 D104 L109 L110 | S103-E107 PolarHBondContact O-N 3.17Å; S103-E107 VanDerWaalsContact O-N 3.11Å; D104-E107 PolarHBondContact O-N 3.43Å; E107-L109 PolarHBondContact O-N 2.94Å; E107-L110 PolarHBondContact O-N 3.31Å |
| 108 | L | 51.7 | Low | 49.4 | Very low | 59 Ų | 59 | 74.7 Ų | 74.7 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 177.8 | -82 | 162.7 | 0 | 0 | 0 | 113.6 | D104 | D104-L108 PolarHBondContact O-N 2.83Å |
| 109 | L | 53.8 | Low | 51.3 | Low | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.2 | -28.7 | 179.7 | -67.4 | 176.4 | 0 | 0 | 0 | 113.1 | L105 E107 E111 G112 L198 R199 W215 | L105-L109 HydrophobicContact CD2-CD1 3.76Å; L105-L109 HydrophobicContact CD2-CG 4.07Å; L105-L109 WeakPolarHBondContact O-CB 3.38Å; L105-L109 WeakPolarHBondContact O-CG 3.47Å; L105-L109 PolarHBondContact O-N 3.16Å; L105-L109 VanDerWaalsContact O-N 3.13Å; E107-L109 PolarHBondContact O-N 2.94Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 2.85Å; L109-G112 PolarHBondContact O-N 3.17Å; L109-L198 HydrophobicContact CD2-CD1 4.4Å; L109-R199 HydrophobicContact CD1-CG 3.34Å; L109-R199 VanDerWaalsContact CD1-NE 3.34Å; L109-W215 HydrophobicContact CD2-CD2 4.43Å; L109-W215 HydrophobicContact CD2-CE3 3.33Å; L109-W215 HydrophobicContact CD2-CZ3 3.64Å |
| 110 | L | 47.2 | Very low | 53.2 | Low | 75 Ų | 75 | 64.2 Ų | 64.2 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -30.2 | -179.3 | -82.9 | 168.6 | 0 | 0 | 0 | 112.6 | R106 E107 G112 D116 | R106-L110 HydrophobicContact CG-CD1 4.19Å; R106-L110 WeakPolarHBondContact O-CD1 3.46Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.33Å; R106-L110 PolarHBondContact O-N 3.23Å; E107-L110 PolarHBondContact O-N 3.31Å; L110-G112 PolarHBondContact O-N 3.23Å; L110-D116 HydrophobicContact CD2-CB 4.4Å |
| 111 | E | 56 | Low | 54.9 | Low | 111 Ų | 111 | 59.3 Ų | 59.3 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.5 | 176.1 | -66.1 | -171.3 | 117.6 | 0 | 0 | 113.4 | L109 A113 R248 | L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 2.85Å; E111-A113 PolarHBondContact O-N 2.95Å; E111-A113 VanDerWaalsContact O-N 3.16Å; E111-R248 IonicContact OE1-CZ 3.73Å; E111-R248 IonicContact OE1-NH2 2.82Å; E111-R248 PolarHBondContact OE1-NH2 2.8Å; E111-R248 IonicContact OE2-CZ 3.41Å; E111-R248 IonicContact OE2-NH1 3.5Å; E111-R248 PolarHBondContact OE2-NH1 2.95Å; E111-R248 IonicContact OE2-NH2 2.65Å; E111-R248 PolarHBondContact OE2-NH2 2.71Å |
| 112 | G | 55.6 | Low | 56.6 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 12.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | L109 L110 V114 W215 | L109-G112 PolarHBondContact O-N 3.17Å; L110-G112 PolarHBondContact O-N 3.23Å; G112-V114 PolarHBondContact O-N 3.36Å; G112-W215 VanDerWaalsContact CA-NE1 3.3Å; G112-W215 PolarHBondContact O-NE1 3.38Å; G112-W215 VanDerWaalsContact O-NE1 3.14Å |
| 113 | A | 59.7 | Low | 58.2 | Low | 24 Ų | 24 | 54.8 Ų | 54.8 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 29.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E111 Y452 | E111-A113 PolarHBondContact O-N 2.95Å; E111-A113 VanDerWaalsContact O-N 3.16Å; A113-Y452 WeakPolarHBondContact O-CE1 3.35Å |
| 114 | V | 64.9 | Low | 60.1 | Low | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -99.3 | 134.5 | 179.3 | -177.5 | 0 | 0 | 0 | 0 | 110 | G112 A195 W215 | G112-V114 PolarHBondContact O-N 3.36Å; V114-A195 HydrophobicContact CB-CB 4.27Å; V114-A195 HydrophobicContact CG1-CB 3.27Å; V114-A195 HydrophobicContact CG2-CB 4.11Å; V114-W215 HydrophobicContact CG2-CD2 4.28Å; V114-W215 HydrophobicContact CG2-CH2 3.49Å; V114-W215 VanDerWaalsContact CG2-CH2 3.49Å; V114-W215 HydrophobicContact CG2-CZ2 3.16Å; V114-W215 HydrophobicContact CG2-CZ3 4.13Å | ||
| 115 | P | 58.8 | Low | 61.8 | Low | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | trans | -64.1 | 152.6 | 176.2 | 24.3 | -31.5 | 0 | 0 | 0 | 113.3 | K117 Y121 R199 A451 Y452 | P115-K117 PolarHBondContact O-N 2.59Å; P115-Y121 HydrophobicContact CB-CD2 3.87Å; P115-Y121 HydrophobicContact CB-CE1 4.32Å; P115-Y121 HydrophobicContact CB-CE2 3.24Å; P115-Y121 VanDerWaalsContact CB-CZ 3.49Å; P115-Y121 HydrophobicContact CG-CD1 4.3Å; P115-Y121 HydrophobicContact CG-CD2 3.48Å; P115-Y121 VanDerWaalsContact CG-CD2 3.48Å; P115-Y121 HydrophobicContact CG-CE1 4.22Å; P115-Y121 HydrophobicContact CG-CE2 3.41Å; P115-Y121 VanDerWaalsContact CG-CE2 3.41Å; P115-Y121 HydrophobicContact CG-CG 3.95Å; P115-R199 PolarHBondContact O-NH2 2.96Å; P115-A451 HydrophobicContact CB-CB 4.47Å; P115-Y452 WeakPolarHBondContact CD-OH 3.37Å; P115-Y452 HydrophobicContact CG-CE2 4.14Å | ||
| 116 | D | 60.9 | Low | 63.1 | Low | 69 Ų | 69 | 53.3 Ų | 53.3 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -64.3 | -15.3 | -172 | -140.8 | 3.9 | 0 | 0 | 0 | 114.2 | R106 L110 R199 | R106-D116 IonicContact CZ-OD1 3.49Å; R106-D116 IonicContact CZ-OD2 2.75Å; R106-D116 IonicContact NE-OD1 2.85Å; R106-D116 PolarHBondContact NE-OD1 3.38Å; R106-D116 VanDerWaalsContact NE-OD1 3.08Å; R106-D116 VanDerWaalsContact NH2-CG 3.3Å; R106-D116 IonicContact NH2-OD1 3.87Å; R106-D116 PolarHBondContact NH2-OD1 3.19Å; R106-D116 VanDerWaalsContact NH2-OD1 3.13Å; R106-D116 IonicContact NH2-OD2 3.58Å; R106-D116 PolarHBondContact NH2-OD2 3.03Å; L110-D116 HydrophobicContact CD2-CB 4.4Å; D116-R199 PolarHBondContact O-NH1 3.01Å |
| 117 | K | 67.2 | Low | 64.8 | Low | 114 Ų | 114 | 50.4 Ų | 50.4 | 50% | 0.496 | 26% | 0.255 | S | S | . | . | trans | -141.1 | 83.4 | 176.2 | -66.6 | -177.3 | -178.2 | 179 | 0 | 110.2 | P115 T119 R120 Y121 | P115-K117 PolarHBondContact O-N 2.59Å; K117-T119 PolarHBondContact O-N 3.34Å; K117-R120 HydrophobicContact CB-CG 4.16Å; K117-R120 WeakPolarHBondContact O-CB 3.03Å; K117-R120 PolarHBondContact O-N 3.02Å; K117-Y121 WeakPolarHBondContact O-CD2 3.08Å | ||
| 118 | P | 61.2 | Low | 66.4 | Low | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -61.8 | -30.1 | -172 | 22.6 | -33 | 0 | 0 | 0 | 113.1 | R120 Y121 I122 V192 A195 | P118-R120 PolarHBondContact O-N 2.87Å; P118-R120 VanDerWaalsContact O-N 3.11Å; P118-Y121 PolarHBondContact O-N 3.39Å; P118-I122 PolarHBondContact O-N 3.28Å; P118-I122 VanDerWaalsContact O-N 3.17Å; P118-V192 HydrophobicContact CB-CG1 3.63Å; P118-V192 WeakPolarHBondContact O-CG1 3.26Å; P118-A195 HydrophobicContact CB-CB 4.37Å; P118-A195 HydrophobicContact CG-CB 4.43Å |
| 119 | T | 67.2 | Low | 67.9 | Low | 47 Ų | 47 | 43.8 Ų | 43.8 | 29% | 0.288 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -58 | -26.7 | 176.1 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | K117 Y121 I122 M372 | K117-T119 PolarHBondContact O-N 3.34Å; T119-Y121 PolarHBondContact O-N 2.82Å; T119-I122 WeakPolarHBondContact CA-O 3.41Å; T119-M372 WeakPolarHBondContact O-CE 3.4Å |
| 120 | R | 68.3 | Low | 69.4 | Low | 70 Ų | 70 | 45.2 Ų | 45.2 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -71.4 | -13.5 | 174.2 | -68.5 | -170.1 | 170 | -172.4 | -7.8 | 113.9 | K117 P118 L369 M372 W373 | K117-R120 HydrophobicContact CB-CG 4.16Å; K117-R120 WeakPolarHBondContact O-CB 3.03Å; K117-R120 PolarHBondContact O-N 3.02Å; P118-R120 PolarHBondContact O-N 2.87Å; P118-R120 VanDerWaalsContact O-N 3.11Å; R120-L369 WeakPolarHBondContact O-CD2 3.44Å; R120-M372 HydrophobicContact CG-CG 4.12Å; R120-M372 HydrophobicContact CG-SD 4.22Å; R120-W373 HydrophobicContact CB-CZ2 4.37Å; R120-W373 PolarHBondContact O-NE1 3.22Å |
| 121 | Y | 69 | Low | 71.3 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 21% | 0.212 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -31.1 | -176 | -63.3 | -97.8 | 0 | 0 | 0 | 111.7 | P115 K117 P118 T119 W373 | P115-Y121 HydrophobicContact CB-CD2 3.87Å; P115-Y121 HydrophobicContact CB-CE1 4.32Å; P115-Y121 HydrophobicContact CB-CE2 3.24Å; P115-Y121 VanDerWaalsContact CB-CZ 3.49Å; P115-Y121 HydrophobicContact CG-CD1 4.3Å; P115-Y121 HydrophobicContact CG-CD2 3.48Å; P115-Y121 VanDerWaalsContact CG-CD2 3.48Å; P115-Y121 HydrophobicContact CG-CE1 4.22Å; P115-Y121 HydrophobicContact CG-CE2 3.41Å; P115-Y121 VanDerWaalsContact CG-CE2 3.41Å; P115-Y121 HydrophobicContact CG-CG 3.95Å; K117-Y121 WeakPolarHBondContact O-CD2 3.08Å; P118-Y121 PolarHBondContact O-N 3.39Å; T119-Y121 PolarHBondContact O-N 2.82Å; Y121-W373 HydrophobicContact CD1-CZ2 4.3Å; Y121-W373 HydrophobicContact CE1-CH2 4.32Å; Y121-W373 AromaticContact CE1-CZ2 3.84Å; Y121-W373 HydrophobicContact CE1-CZ2 3.84Å; Y121-W373 HydrophobicContact CE2-CZ2 4.21Å; Y121-W373 AromaticContact CZ-CZ2 3.8Å |
| 122 | I | 75.3 | Confident | 72.7 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | trans | -142.3 | 135.3 | 173.3 | -78.2 | -172.4 | 0 | 0 | 0 | 110.2 | P118 T119 R124 S188 G189 V192 L193 P409 | P118-I122 PolarHBondContact O-N 3.28Å; P118-I122 VanDerWaalsContact O-N 3.17Å; T119-I122 WeakPolarHBondContact CA-O 3.41Å; I122-R124 HydrophobicContact CG2-CB 4.32Å; I122-R124 HydrophobicContact CG2-CG 4.43Å; I122-S188 VanDerWaalsContact CD1-O 3.3Å; I122-S188 WeakPolarHBondContact CD1-O 3.42Å; I122-G189 VanDerWaalsContact CD1-CA 3.41Å; I122-G189 WeakPolarHBondContact CD1-O 3.45Å; I122-V192 HydrophobicContact CB-CG1 3.95Å; I122-V192 HydrophobicContact CD1-CB 4.34Å; I122-V192 HydrophobicContact CG1-CB 4.43Å; I122-V192 HydrophobicContact CG1-CG1 4.3Å; I122-L193 HydrophobicContact CG2-CD1 4Å; I122-P409 HydrophobicContact CD1-CB 4Å; I122-P409 HydrophobicContact CD1-CG 4.05Å; I122-P409 HydrophobicContact CG1-CB 3.64Å; I122-P409 HydrophobicContact CG1-CG 4.09Å | ||
| 123 | N | 74.9 | Confident | 74.2 | Confident | 63 Ų | 63 | 41.6 Ų | 41.6 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | trans | -131.8 | 89 | 170 | -173.3 | 20.2 | 0 | 0 | 0 | 110.2 | S368 | N123-S368 PolarHBondContact ND2-OG 2.83Å; N123-S368 VanDerWaalsContact ND2-OG 3.15Å | ||
| 124 | R | 81 | Confident | 75.6 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | trans | -135.2 | 84.5 | 179.8 | -74.8 | -164.6 | 172.4 | 163.1 | 6.9 | 111.4 | I122 D126 L127 V128 H358 D360 L361 E365 | I122-R124 HydrophobicContact CG2-CB 4.32Å; I122-R124 HydrophobicContact CG2-CG 4.43Å; R124-D126 VanDerWaalsContact C-N 3.26Å; R124-D126 PolarHBondContact O-N 3.18Å; R124-L127 HydrophobicContact CB-CB 4.16Å; R124-L127 HydrophobicContact CB-CD1 4.16Å; R124-L127 HydrophobicContact CB-CG 4.43Å; R124-L127 HydrophobicContact CG-CD1 4.43Å; R124-L127 PolarHBondContact O-N 3.38Å; R124-L127 VanDerWaalsContact O-N 3.16Å; R124-V128 WeakPolarHBondContact O-CG2 3.22Å; R124-V128 PolarHBondContact O-N 2.99Å; R124-H358 PolarHBondContact NH1-O 2.72Å; R124-D360 PolarHBondContact NH2-O 3.03Å; R124-L361 HydrophobicContact CG-CD2 4.27Å; R124-L361 VanDerWaalsContact NH2-CA 3.27Å; R124-L361 VanDerWaalsContact NH2-N 3.1Å; R124-E365 IonicContact CZ-OE2 2.8Å; R124-E365 IonicContact NE-OE1 3.91Å; R124-E365 IonicContact NE-OE2 3.79Å; R124-E365 PolarHBondContact NE-OE2 3.4Å; R124-E365 IonicContact NH2-OE2 2.72Å | ||
| 125 | P | 78.7 | Confident | 76.6 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -34.3 | -172.4 | 23.7 | -33.4 | 0 | 0 | 0 | 113.2 | L127 V128 S129 | P125-L127 PolarHBondContact O-N 3.29Å; P125-V128 WeakPolarHBondContact O-CB 3.5Å; P125-V128 PolarHBondContact O-N 3.41Å; P125-S129 PolarHBondContact O-N 3.07Å; P125-S129 PolarHBondContact O-OG 2.86Å |
| 126 | D | 79.6 | Confident | 77.9 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.2 | -31.1 | -179.3 | -57.3 | -28.9 | 0 | 0 | 0 | 112.6 | R124 S129 A130 S1742 S1744 | R124-D126 VanDerWaalsContact C-N 3.26Å; R124-D126 PolarHBondContact O-N 3.18Å; D126-S129 PolarHBondContact O-OG 2.92Å; D126-A130 WeakPolarHBondContact O-CB 3.46Å; D126-A130 PolarHBondContact O-N 3.37Å; D126-A130 VanDerWaalsContact O-N 3.1Å; D126-S1742 PolarHBondContact OD1-OG 3.35Å; D126-S1744 PolarHBondContact OD2-OG 3.09Å |
| 127 | L | 81.6 | Confident | 78.9 | Confident | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -80.4 | -29.7 | 173.3 | -71.5 | 175.8 | 0 | 0 | 0 | 112.2 | R124 P125 L131 L193 L357 | R124-L127 HydrophobicContact CB-CB 4.16Å; R124-L127 HydrophobicContact CB-CD1 4.16Å; R124-L127 HydrophobicContact CB-CG 4.43Å; R124-L127 HydrophobicContact CG-CD1 4.43Å; R124-L127 PolarHBondContact O-N 3.38Å; R124-L127 VanDerWaalsContact O-N 3.16Å; P125-L127 PolarHBondContact O-N 3.29Å; L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 2.79Å; L127-L193 HydrophobicContact CB-CD1 4.23Å; L127-L193 HydrophobicContact CB-CD2 4.07Å; L127-L357 HydrophobicContact CD1-CD2 3.66Å; L127-L357 HydrophobicContact CD2-CD2 4.29Å; L127-L357 HydrophobicContact CG-CD2 4.46Å |
| 128 | V | 82.4 | Confident | 79.7 | Confident | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -47.4 | 172.1 | 168.7 | 0 | 0 | 0 | 0 | 109.5 | R124 P125 L131 S132 L193 V197 | R124-V128 WeakPolarHBondContact O-CG2 3.22Å; R124-V128 PolarHBondContact O-N 2.99Å; P125-V128 WeakPolarHBondContact O-CB 3.5Å; P125-V128 PolarHBondContact O-N 3.41Å; V128-L131 PolarHBondContact O-N 2.77Å; V128-S132 WeakPolarHBondContact O-CB 3.37Å; V128-S132 PolarHBondContact O-N 2.69Å; V128-L193 HydrophobicContact CG2-CD1 3.76Å; V128-V197 HydrophobicContact CB-CG2 4.02Å; V128-V197 HydrophobicContact CG1-CG2 3.71Å; V128-V197 HydrophobicContact CG2-CG2 4.13Å |
| 129 | S | 82.6 | Confident | 80.5 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.2 | -40.1 | 177 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | P125 D126 L131 S132 N133 | P125-S129 PolarHBondContact O-N 3.07Å; P125-S129 PolarHBondContact O-OG 2.86Å; D126-S129 PolarHBondContact O-OG 2.92Å; S129-L131 PolarHBondContact O-N 3.21Å; S129-S132 WeakPolarHBondContact O-CB 3.16Å; S129-S132 PolarHBondContact O-N 3.17Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 3.49Å; S129-N133 PolarHBondContact O-ND2 2.96Å |
| 130 | A | 85.2 | Confident | 81 | Confident | 34 Ų | 34 | 40.9 Ų | 40.9 | 28% | 0.281 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D126 K134 | D126-A130 WeakPolarHBondContact O-CB 3.46Å; D126-A130 PolarHBondContact O-N 3.37Å; D126-A130 VanDerWaalsContact O-N 3.1Å; A130-K134 WeakPolarHBondContact O-CG 3.49Å; A130-K134 PolarHBondContact O-N 3.22Å; A130-K134 VanDerWaalsContact O-N 3.12Å |
| 131 | L | 87.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.2 | -39.8 | 176.1 | -172.6 | 74.6 | 0 | 0 | 0 | 111.5 | L127 V128 S129 K134 L135 L180 I182 L193 V197 L355 | L127-L131 WeakPolarHBondContact O-CB 3.49Å; L127-L131 PolarHBondContact O-N 2.79Å; V128-L131 PolarHBondContact O-N 2.77Å; S129-L131 PolarHBondContact O-N 3.21Å; L131-K134 PolarHBondContact O-N 3.18Å; L131-L135 HydrophobicContact CD2-CD1 4.47Å; L131-L135 HydrophobicContact CG-CD1 4.25Å; L131-L135 HydrophobicContact CG-CG 4.49Å; L131-L135 WeakPolarHBondContact O-CB 3.36Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.28Å; L131-L180 HydrophobicContact CD1-CD2 4.1Å; L131-I182 HydrophobicContact CD1-CD1 3.49Å; L131-I182 VanDerWaalsContact CD1-CD1 3.49Å; L131-I182 HydrophobicContact CD1-CG1 3.96Å; L131-I182 HydrophobicContact CD2-CD1 4.16Å; L131-L193 HydrophobicContact CD2-CG 4.49Å; L131-V197 HydrophobicContact CB-CG2 4.11Å; L131-V197 HydrophobicContact CD2-CB 4Å; L131-V197 HydrophobicContact CD2-CG1 4.36Å; L131-V197 HydrophobicContact CD2-CG2 3.68Å; L131-V197 HydrophobicContact CG-CG2 4.33Å; L131-L355 HydrophobicContact CB-CD2 4.31Å; L131-L355 HydrophobicContact CD1-CD2 3.58Å |
| 132 | S | 85.7 | Confident | 81.4 | Confident | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -52.4 | 173.5 | 174 | 0 | 0 | 0 | 0 | 111.3 | V128 S129 K134 L135 Q136 E201 L204 | V128-S132 WeakPolarHBondContact O-CB 3.37Å; V128-S132 PolarHBondContact O-N 2.69Å; S129-S132 WeakPolarHBondContact O-CB 3.16Å; S129-S132 PolarHBondContact O-N 3.17Å; S132-K134 VanDerWaalsContact C-N 3.29Å; S132-K134 PolarHBondContact O-N 2.97Å; S132-L135 PolarHBondContact O-N 3.09Å; S132-L135 VanDerWaalsContact O-N 3.11Å; S132-Q136 PolarHBondContact O-N 3.42Å; S132-E201 WeakPolarHBondContact CB-OE2 3.16Å; S132-E201 PolarHBondContact OG-OE1 3.44Å; S132-E201 PolarHBondContact OG-OE2 3.22Å; S132-L204 WeakPolarHBondContact OG-CD1 3.28Å |
| 133 | N | 87.8 | Confident | 80.8 | Confident | 100 Ų | 100 | 46.4 Ų | 46.4 | 54% | 0.535 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 177.8 | -68.2 | -22.1 | 0 | 0 | 0 | 112.3 | S129 Q136 A137 | S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 3.49Å; S129-N133 PolarHBondContact O-ND2 2.96Å; N133-Q136 PolarHBondContact O-N 2.86Å; N133-A137 WeakPolarHBondContact O-CB 3.42Å; N133-A137 PolarHBondContact O-N 3.18Å |
| 134 | K | 87.8 | Confident | 79.9 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.6 | -37.3 | 176.1 | -75.5 | -173.2 | 174.1 | -115.6 | 0 | 113.1 | A130 L131 S132 Q136 A137 L138 L180 D353 R354 L355 | A130-K134 WeakPolarHBondContact O-CG 3.49Å; A130-K134 PolarHBondContact O-N 3.22Å; A130-K134 VanDerWaalsContact O-N 3.12Å; L131-K134 PolarHBondContact O-N 3.18Å; S132-K134 VanDerWaalsContact C-N 3.29Å; S132-K134 PolarHBondContact O-N 2.97Å; K134-Q136 VanDerWaalsContact C-N 3.34Å; K134-A137 PolarHBondContact O-N 3.08Å; K134-L138 WeakPolarHBondContact O-CB 3.36Å; K134-L138 PolarHBondContact O-N 2.91Å; K134-L180 HydrophobicContact CB-CD1 4.18Å; K134-L180 HydrophobicContact CB-CD2 3.95Å; K134-L180 HydrophobicContact CD-CD1 3.92Å; K134-D353 VanDerWaalsContact CD-OD2 3.3Å; K134-D353 WeakPolarHBondContact CD-OD2 3.36Å; K134-D353 WeakPolarHBondContact CG-OD2 3.31Å; K134-D353 IonicContact NZ-OD1 3.61Å; K134-D353 PolarHBondContact NZ-OD1 2.84Å; K134-D353 IonicContact NZ-OD2 3.83Å; K134-D353 PolarHBondContact NZ-OD2 3.37Å; K134-R354 PolarHBondContact NZ-O 3.24Å; K134-L355 HydrophobicContact CD-CB 4.22Å; K134-L355 HydrophobicContact CD-CD1 4.14Å |
| 135 | L | 87.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 174.1 | -77.3 | 171.2 | 0 | 0 | 0 | 111.3 | L131 S132 L138 A139 L180 V197 L198 L204 F209 L313 L336 | L131-L135 HydrophobicContact CD2-CD1 4.47Å; L131-L135 HydrophobicContact CG-CD1 4.25Å; L131-L135 HydrophobicContact CG-CG 4.49Å; L131-L135 WeakPolarHBondContact O-CB 3.36Å; L131-L135 WeakPolarHBondContact O-CG 3.45Å; L131-L135 PolarHBondContact O-N 3.28Å; S132-L135 PolarHBondContact O-N 3.09Å; S132-L135 VanDerWaalsContact O-N 3.11Å; L135-L138 PolarHBondContact O-N 2.79Å; L135-A139 PolarHBondContact O-N 3.07Å; L135-L180 HydrophobicContact CD2-CD2 3.98Å; L135-L180 HydrophobicContact CG-CD2 4.19Å; L135-V197 HydrophobicContact CD1-CG1 3.9Å; L135-L198 HydrophobicContact CD1-CD2 4.36Å; L135-L204 HydrophobicContact CB-CD1 4.15Å; L135-L204 HydrophobicContact CB-CD2 4.06Å; L135-L204 HydrophobicContact CD1-CD2 4.09Å; L135-F209 HydrophobicContact CB-CE2 4.3Å; L135-F209 HydrophobicContact CD2-CE2 4.43Å; L135-F209 HydrophobicContact CD2-CZ 4.43Å; L135-F209 WeakPolarHBondContact O-CZ 3.48Å; L135-L313 HydrophobicContact CD2-CD2 4.3Å; L135-L336 HydrophobicContact CD2-CD1 4.46Å |
| 136 | Q | 84.3 | Confident | 76.7 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 173.4 | -168.4 | 168.4 | 17.9 | 0 | 0 | 111 | S132 N133 K134 L138 A139 D140 | S132-Q136 PolarHBondContact O-N 3.42Å; N133-Q136 PolarHBondContact O-N 2.86Å; K134-Q136 VanDerWaalsContact C-N 3.34Å; Q136-L138 VanDerWaalsContact C-N 3.25Å; Q136-L138 PolarHBondContact O-N 2.92Å; Q136-A139 WeakPolarHBondContact O-CB 3.26Å; Q136-A139 PolarHBondContact O-N 2.49Å; Q136-D140 VanDerWaalsContact O-CG 3.3Å; Q136-D140 PolarHBondContact O-N 2.93Å |
| 137 | A | 82.5 | Confident | 75.1 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | N133 K134 D140 H141 | N133-A137 WeakPolarHBondContact O-CB 3.42Å; N133-A137 PolarHBondContact O-N 3.18Å; K134-A137 PolarHBondContact O-N 3.08Å; A137-D140 PolarHBondContact O-N 3.44Å; A137-H141 PolarHBondContact O-N 3.23Å; A137-H141 PolarHBondContact O-ND1 3.39Å |
| 138 | L | 83.9 | Confident | 73.3 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -36.4 | 175 | -173.8 | 146.6 | 0 | 0 | 0 | 112 | K134 L135 Q136 F142 A178 L180 F209 A334 | K134-L138 WeakPolarHBondContact O-CB 3.36Å; K134-L138 PolarHBondContact O-N 2.91Å; L135-L138 PolarHBondContact O-N 2.79Å; Q136-L138 VanDerWaalsContact C-N 3.25Å; Q136-L138 PolarHBondContact O-N 2.92Å; L138-F142 HydrophobicContact CD2-CE2 4.39Å; L138-F142 WeakPolarHBondContact O-CD2 3.24Å; L138-F142 WeakPolarHBondContact O-CE2 3.36Å; L138-A178 HydrophobicContact CG-CB 4.21Å; L138-L180 HydrophobicContact CD1-CB 3.43Å; L138-L180 VanDerWaalsContact CD1-CB 3.43Å; L138-F209 HydrophobicContact CD2-CE1 3.98Å; L138-F209 HydrophobicContact CD2-CZ 4.06Å; L138-A334 HydrophobicContact CD2-CB 3.37Å |
| 139 | A | 79.1 | Confident | 71.8 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.4 | -37.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L135 Q136 H141 F142 C208 F209 L311 | L135-A139 PolarHBondContact O-N 3.07Å; Q136-A139 WeakPolarHBondContact O-CB 3.26Å; Q136-A139 PolarHBondContact O-N 2.49Å; A139-H141 PolarHBondContact O-N 3.43Å; A139-F142 PolarHBondContact O-N 2.97Å; A139-C208 HydrophobicContact CB-CB 3.53Å; A139-F209 HydrophobicContact CB-CE1 4.12Å; A139-F209 HydrophobicContact CB-CZ 4.01Å; A139-L311 HydrophobicContact CB-CD2 4.09Å |
| 140 | D | 77.4 | Confident | 70.1 | Confident | 68 Ų | 68 | 62 Ų | 62 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -28.6 | 177.4 | -70 | -32 | 0 | 0 | 0 | 112.4 | Q136 A137 F142 R143 | Q136-D140 VanDerWaalsContact O-CG 3.3Å; Q136-D140 PolarHBondContact O-N 2.93Å; A137-D140 PolarHBondContact O-N 3.44Å; D140-F142 PolarHBondContact O-N 2.92Å; D140-F142 VanDerWaalsContact O-N 3.09Å; D140-R143 PolarHBondContact O-N 3.45Å; D140-R143 WeakPolarHBondContact OD1-CD 3.36Å; D140-R143 IonicContact OD1-CZ 2.65Å; D140-R143 IonicContact OD1-NE 3.95Å; D140-R143 IonicContact OD1-NH1 3.56Å; D140-R143 PolarHBondContact OD1-NH1 3.38Å |
| 141 | H | 73.6 | Confident | 68.2 | Low | 101 Ų | 101 | 64.1 Ų | 64.1 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.7 | 172.8 | -84 | 75 | 0 | 0 | 0 | 114.1 | A137 A139 A178 | A137-H141 PolarHBondContact O-N 3.23Å; A137-H141 PolarHBondContact O-ND1 3.39Å; A139-H141 PolarHBondContact O-N 3.43Å; H141-A178 HydrophobicContact CB-CB 4.25Å |
| 142 | F | 70.5 | Confident | 65.8 | Low | 25 Ų | 25 | 68.2 Ų | 68.2 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -4.3 | 179.6 | -61.7 | -81.9 | 0 | 0 | 0 | 113.4 | L138 A139 D140 V144 A178 L311 G333 A334 | L138-F142 HydrophobicContact CD2-CE2 4.39Å; L138-F142 WeakPolarHBondContact O-CD2 3.24Å; L138-F142 WeakPolarHBondContact O-CE2 3.36Å; A139-F142 PolarHBondContact O-N 2.97Å; D140-F142 PolarHBondContact O-N 2.92Å; D140-F142 VanDerWaalsContact O-N 3.09Å; F142-V144 PolarHBondContact O-N 3.12Å; F142-A178 HydrophobicContact CE2-CB 3.61Å; F142-A178 HydrophobicContact CZ-CB 3.66Å; F142-L311 HydrophobicContact CB-CD1 4.1Å; F142-L311 HydrophobicContact CB-CD2 4.26Å; F142-L311 HydrophobicContact CD1-CD1 4.08Å; F142-L311 HydrophobicContact CD2-CD1 3.71Å; F142-L311 HydrophobicContact CD2-CD2 3.64Å; F142-L311 HydrophobicContact CD2-CG 4.35Å; F142-L311 HydrophobicContact CE1-CD1 4.44Å; F142-L311 HydrophobicContact CE2-CD1 4.1Å; F142-L311 HydrophobicContact CE2-CD2 4.31Å; F142-L311 HydrophobicContact CG-CD1 3.69Å; F142-L311 HydrophobicContact CG-CD2 4.18Å; F142-L311 HydrophobicContact CZ-CD1 4.44Å; F142-G333 WeakPolarHBondContact CZ-O 3.38Å; F142-A334 HydrophobicContact CE2-CB 3.86Å; F142-A334 HydrophobicContact CZ-CB 4.33Å |
| 143 | R | 63.8 | Low | 63.7 | Low | 122 Ų | 122 | 71.6 Ų | 71.6 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 126.6 | 178.1 | -72 | -175.9 | 170 | 168.6 | -9.9 | 109.6 | D140 | D140-R143 PolarHBondContact O-N 3.45Å; D140-R143 WeakPolarHBondContact OD1-CD 3.36Å; D140-R143 IonicContact OD1-CZ 2.65Å; D140-R143 IonicContact OD1-NE 3.95Å; D140-R143 IonicContact OD1-NH1 3.56Å; D140-R143 PolarHBondContact OD1-NH1 3.38Å |
| 144 | V | 54.8 | Low | 61.4 | Low | 36 Ų | 36 | 73.8 Ų | 73.8 | 22% | 0.218 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 119 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | F142 P174 | F142-V144 PolarHBondContact O-N 3.12Å; V144-P174 HydrophobicContact CG2-CG 4.24Å |
| 145 | D | 47.7 | Very low | 58.8 | Low | 135 Ų | 135 | 74.8 Ų | 74.8 | 72% | 0.722 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 143.3 | 177 | -76.8 | -34.4 | 0 | 0 | 0 | 112.4 | I147 | D145-I147 PolarHBondContact O-N 3.4Š|
| 146 | K | 46.1 | Very low | 56.2 | Low | 145 Ų | 145 | 82 Ų | 82 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | trans | -22 | 111.1 | -179 | -76 | 176.5 | 173.1 | 175.2 | 0 | 114.3 | P148 N304 | K146-P148 WeakPolarHBondContact O-CD 3.39Å; K146-N304 WeakPolarHBondContact CE-O 3.27Å | ||
| 147 | I | 45.4 | Very low | 53.6 | Low | 38 Ų | 38 | 84.7 Ų | 84.7 | 20% | 0.195 | 45% | 0.45 | C | S | . | . | trans | -65.4 | 124.2 | 165.5 | -57.7 | 172.4 | 0 | 0 | 0 | 107 | D145 S149 K151 L152 M155 L307 | D145-I147 PolarHBondContact O-N 3.4Å; I147-S149 PolarHBondContact O-N 3.34Å; I147-K151 HydrophobicContact CG2-CB 4.14Å; I147-L152 HydrophobicContact CB-CD1 3.87Å; I147-L152 HydrophobicContact CG2-CD1 3.99Å; I147-M155 HydrophobicContact CD1-SD 4.28Å; I147-L307 HydrophobicContact CD1-CD1 3.65Å | ||
| 148 | P | 45.3 | Very low | 51.1 | Low | 73 Ų | 73 | 89.3 Ų | 89.3 | 47% | 0.474 | 47% | 0.474 | S | S | . | . | trans | -53.7 | 133.1 | 177.6 | -24 | 32.1 | 0 | 0 | 0 | 110.5 | K146 D150 K151 L152 | K146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-D150 PolarHBondContact O-N 3.05Å; P148-K151 PolarHBondContact O-N 2.79Å; P148-L152 PolarHBondContact O-N 3.18Å | ||
| 149 | S | 49 | Very low | 48.5 | Very low | 91 Ų | 91 | 91.7 Ų | 91.7 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -47.8 | -34.2 | -176.6 | 46.7 | 0 | 0 | 0 | 0 | 113.5 | I147 K151 L152 | I147-S149 PolarHBondContact O-N 3.34Å; S149-K151 VanDerWaalsContact C-N 3.29Å; S149-K151 PolarHBondContact O-N 2.99Å; S149-L152 VanDerWaalsContact O-CB 3.31Å; S149-L152 WeakPolarHBondContact O-CB 3.34Å; S149-L152 PolarHBondContact O-N 2.89Å; S149-L152 VanDerWaalsContact O-N 3.12Å |
| 150 | D | 47.7 | Very low | 46.2 | Very low | 139 Ų | 139 | 102.5 Ų | 102.5 | 74% | 0.743 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.4 | -25.7 | -175.8 | -54.2 | -8.2 | 0 | 0 | 0 | 112.3 | P148 | P148-D150 PolarHBondContact O-N 3.05Å |
| 151 | K | 44.5 | Very low | 44.1 | Very low | 79 Ų | 79 | 108 Ų | 108 | 34% | 0.343 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -88.1 | -19.6 | 171.7 | -75.7 | -170.1 | 174.6 | -178 | 0 | 113.1 | I147 P148 S149 A153 E154 V167 | I147-K151 HydrophobicContact CG2-CB 4.14Å; P148-K151 PolarHBondContact O-N 2.79Å; S149-K151 VanDerWaalsContact C-N 3.29Å; S149-K151 PolarHBondContact O-N 2.99Å; K151-A153 VanDerWaalsContact C-N 3.25Å; K151-A153 PolarHBondContact O-N 3.44Å; K151-E154 PolarHBondContact O-N 3.11Å; K151-V167 HydrophobicContact CD-CG1 4.3Å; K151-V167 PolarHBondContact NZ-O 3.27Å |
| 152 | L | 37.9 | Very low | 42.2 | Very low | 87 Ų | 87 | 111.6 Ų | 111.6 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.5 | -35.2 | 178.2 | -130.6 | 97.5 | 0 | 0 | 0 | 111.2 | I147 P148 S149 E154 M155 | I147-L152 HydrophobicContact CB-CD1 3.87Å; I147-L152 HydrophobicContact CG2-CD1 3.99Å; P148-L152 PolarHBondContact O-N 3.18Å; S149-L152 VanDerWaalsContact O-CB 3.31Å; S149-L152 WeakPolarHBondContact O-CB 3.34Å; S149-L152 PolarHBondContact O-N 2.89Å; S149-L152 VanDerWaalsContact O-N 3.12Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 2.99Å; L152-M155 PolarHBondContact O-N 3.24Å |
| 153 | A | 41 | Very low | 40.5 | Very low | 81 Ų | 81 | 114.8 Ų | 114.8 | 67% | 0.669 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -24.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K151 M155 | K151-A153 VanDerWaalsContact C-N 3.25Å; K151-A153 PolarHBondContact O-N 3.44Å; A153-M155 VanDerWaalsContact C-N 3.35Å |
| 154 | E | 40.1 | Very low | 39.1 | Very low | 145 Ų | 145 | 113.8 Ų | 113.8 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -13.7 | 175.8 | -72.3 | -173.6 | 158.4 | 0 | 0 | 112.9 | K151 L152 | K151-E154 PolarHBondContact O-N 3.11Å; L152-E154 VanDerWaalsContact C-N 3.27Å; L152-E154 PolarHBondContact O-N 2.99Å |
| 155 | M | 33.1 | Very low | 38.3 | Very low | 66 Ų | 66 | 116.6 Ų | 116.6 | 33% | 0.325 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -89.4 | -3.2 | -173.5 | -72.8 | -173.2 | 66.9 | 0 | 0 | 114.9 | I147 L152 A153 I157 | I147-M155 HydrophobicContact CD1-SD 4.28Å; L152-M155 PolarHBondContact O-N 3.24Å; A153-M155 VanDerWaalsContact C-N 3.35Å; M155-I157 VanDerWaalsContact C-N 3.27Å; M155-I157 PolarHBondContact O-N 3.46Å |
| 156 | D | 32.1 | Very low | 38.1 | Very low | 152 Ų | 152 | 118.4 Ų | 118.4 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -81.2 | 7.7 | -173 | -104.7 | -4.3 | 0 | 0 | 0 | 115.7 | ||
| 157 | I | 29.3 | Very low | 38.1 | Very low | 142 Ų | 142 | 113.9 Ų | 113.9 | 73% | 0.728 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -125.9 | 109.5 | 173.1 | -55.4 | 173.5 | 0 | 0 | 0 | 108.4 | M155 P159 | M155-I157 VanDerWaalsContact C-N 3.27Å; M155-I157 PolarHBondContact O-N 3.46Å; I157-P159 WeakPolarHBondContact O-CD 3.19Å; I157-P159 VanDerWaalsContact O-CG 3.26Å; I157-P159 WeakPolarHBondContact O-CG 3.41Å |
| 158 | T | 31 | Very low | 37.6 | Very low | 137 Ų | 137 | 115.6 Ų | 115.6 | 84% | 0.84 | 60% | 0.598 | S | S | * | * | trans | -28.2 | 89.2 | 176.5 | 43.7 | 0 | 0 | 0 | 0 | 113.8 | R160 | T158-R160 PolarHBondContact O-N 3.31Š| ||
| 159 | P | 28.9 | Very low | 37.4 | Very low | 59 Ų | 59 | 114.9 Ų | 114.9 | 38% | 0.383 | 60% | 0.604 | S | S | . | * | trans | -86.6 | 124.9 | -173.9 | 8.8 | 7.9 | 0 | 0 | 0 | 108.3 | I157 Y164 | I157-P159 WeakPolarHBondContact O-CD 3.19Å; I157-P159 VanDerWaalsContact O-CG 3.26Å; I157-P159 WeakPolarHBondContact O-CG 3.41Å; P159-Y164 HydrophobicContact CG-CE2 4.33Å | ||
| 160 | R | 31.5 | Very low | 37.1 | Very low | 232 Ų | 232 | 118.3 Ų | 118.3 | 88% | 0.875 | 62% | 0.615 | S | S | * | * | trans | -59.1 | 138.2 | 168.8 | -71.8 | 179.6 | 175.4 | -179.9 | -1.3 | 108.7 | T158 Q162 | T158-R160 PolarHBondContact O-N 3.31Å; R160-Q162 PolarHBondContact O-N 3.11Å | ||
| 161 | F | 32.7 | Very low | 36.4 | Very low | 183 Ų | 183 | 115.8 Ų | 115.8 | 80% | 0.803 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -37.5 | -16 | -170.4 | -109.4 | -94.7 | 0 | 0 | 0 | 119.7 | ||
| 162 | Q | 33.5 | Very low | 36 | Very low | 176 Ų | 176 | 119.4 Ų | 119.4 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -18.7 | -172.6 | -78.7 | -179.7 | -15.1 | 0 | 0 | 114.9 | R160 | R160-Q162 PolarHBondContact O-N 3.11Š|
| 163 | D | 34.4 | Very low | 36.3 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -96.4 | -4.3 | -177.8 | -70.6 | -42.7 | 0 | 0 | 0 | 114.7 | S165 K166 | D163-S165 VanDerWaalsContact C-N 3.32Å; D163-S165 PolarHBondContact O-N 3.1Å; D163-K166 PolarHBondContact O-N 3.25Å |
| 164 | Y | 34.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 119.2 Ų | 119.2 | 40% | 0.396 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.3 | -32.2 | -177.7 | -102.3 | -88 | 0 | 0 | 0 | 114.1 | P159 K166 V167 M168 | P159-Y164 HydrophobicContact CG-CE2 4.33Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.11Å; Y164-V167 PolarHBondContact O-N 3.47Å; Y164-M168 PolarHBondContact O-N 3.43Å |
| 165 | S | 38.7 | Very low | 37.3 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.7 | -26.1 | -179.9 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | D163 | D163-S165 VanDerWaalsContact C-N 3.32Å; D163-S165 PolarHBondContact O-N 3.1Å |
| 166 | K | 43.5 | Very low | 38.8 | Very low | 173 Ų | 173 | 116 Ų | 116 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.1 | -33.2 | 176.5 | -76.2 | -178.9 | 178.9 | 171.4 | 0 | 112.5 | D163 Y164 | D163-K166 PolarHBondContact O-N 3.25Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.11Å |
| 167 | V | 46.5 | Very low | 40.8 | Very low | 50 Ų | 50 | 108.9 Ų | 108.9 | 30% | 0.303 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -77.8 | -32.1 | -176.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | K151 Y164 | K151-V167 HydrophobicContact CD-CG1 4.3Å; K151-V167 PolarHBondContact NZ-O 3.27Å; Y164-V167 PolarHBondContact O-N 3.47Å |
| 168 | M | 35.2 | Very low | 43.3 | Very low | 75 Ų | 75 | 102.5 Ų | 102.5 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -91.2 | 3 | -173.5 | -77.1 | -71.9 | -73.3 | 0 | 0 | 115.7 | Y164 N170 L171 | Y164-M168 PolarHBondContact O-N 3.43Å; M168-N170 PolarHBondContact O-N 3.11Å; M168-L171 HydrophobicContact CE-CB 4.1Å; M168-L171 PolarHBondContact O-N 3.34Å; M168-L171 HydrophobicContact SD-CD1 4.22Å |
| 169 | G | 40 | Very low | 46.1 | Very low | 57 Ų | 57 | 96.1 Ų | 96.1 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -6.8 | -161.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 170 | N | 42.2 | Very low | 49.1 | Very low | 164 Ų | 164 | 93.3 Ų | 93.3 | 88% | 0.877 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | 12.5 | 177.9 | -76.5 | -12.4 | 0 | 0 | 0 | 114.9 | M168 | M168-N170 PolarHBondContact O-N 3.11Š|
| 171 | L | 33.9 | Very low | 51.9 | Low | 85 Ų | 85 | 82.3 Ų | 82.3 | 45% | 0.445 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -106.3 | 125.1 | 173.5 | -78.6 | 153.8 | 0 | 0 | 0 | 109.1 | M168 | M168-L171 HydrophobicContact CE-CB 4.1Å; M168-L171 PolarHBondContact O-N 3.34Å; M168-L171 HydrophobicContact SD-CD1 4.22Å |
| 172 | N | 36.8 | Very low | 54.7 | Low | 155 Ų | 155 | 73.6 Ų | 73.6 | 83% | 0.829 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -54 | 122.5 | 172.6 | -74.5 | -16.2 | 0 | 0 | 0 | 108.2 | ||
| 173 | P | 43.9 | Very low | 57.1 | Low | 108 Ų | 108 | 66.1 Ų | 66.1 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 136.6 | 178.9 | 24.4 | -31.9 | 0 | 0 | 0 | 108.9 | ||
| 174 | P | 48.8 | Very low | 59.2 | Low | 57 Ų | 57 | 61.7 Ų | 61.7 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 141.9 | 177.1 | 23.4 | -32.8 | 0 | 0 | 0 | 109.6 | V144 T176 | V144-P174 HydrophobicContact CG2-CG 4.24Å; P174-T176 PolarHBondContact O-N 3.28Å |
| 175 | P | 52 | Low | 61.2 | Low | 59 Ų | 59 | 57 Ų | 57 | 38% | 0.383 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 134 | 177 | 24.1 | -32.1 | 0 | 0 | 0 | 108.8 | N177 | P175-N177 PolarHBondContact O-N 2.85Š|
| 176 | T | 64.7 | Low | 62.8 | Low | 84 Ų | 84 | 52.6 Ų | 52.6 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -67.2 | -26.9 | -174.4 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | P174 P332 G333 | P174-T176 PolarHBondContact O-N 3.28Å; T176-P332 VanDerWaalsContact O-CA 3.26Å; T176-P332 WeakPolarHBondContact O-CA 3.26Å; T176-G333 PolarHBondContact O-N 3.03Å |
| 177 | N | 74.9 | Confident | 64.2 | Low | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.5 | -170.3 | -45.3 | 4.8 | 0 | 0 | 0 | 110.4 | P175 S329 L331 P332 G333 T350 | P175-N177 PolarHBondContact O-N 2.85Å; N177-S329 PolarHBondContact ND2-O 3.05Å; N177-L331 VanDerWaalsContact CG-C 3.45Å; N177-L331 VanDerWaalsContact ND2-C 3.32Å; N177-L331 PolarHBondContact ND2-N 3.1Å; N177-L331 PolarHBondContact ND2-O 3.34Å; N177-L331 PolarHBondContact OD1-O 2.83Å; N177-P332 WeakPolarHBondContact OD1-CA 3.19Å; N177-G333 WeakPolarHBondContact CA-O 3.31Å; N177-T350 HydrophobicContact CB-CG2 4.4Å |
| 178 | A | 82.7 | Confident | 65.6 | Low | 7 Ų | 7 | 43.1 Ų | 43.1 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 146.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L138 H141 F142 G333 F335 | L138-A178 HydrophobicContact CG-CB 4.21Å; H141-A178 HydrophobicContact CB-CB 4.25Å; F142-A178 HydrophobicContact CE2-CB 3.61Å; F142-A178 HydrophobicContact CZ-CB 3.66Å; A178-G333 PolarHBondContact N-O 2.74Å; A178-F335 PolarHBondContact O-N 2.84Å |
| 179 | W | 89.1 | Confident | 67.6 | Low | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.7 | -170.4 | -64.1 | 79.4 | 0 | 0 | 0 | 111.6 | L328 F335 V337 L345 V348 T350 V352 D353 | W179-L328 HydrophobicContact CH2-CB 3.74Å; W179-L328 HydrophobicContact CH2-CD1 4.41Å; W179-L328 HydrophobicContact CZ2-CB 4.19Å; W179-F335 CarbonylContact C-O 3.58Å; W179-F335 WeakPolarHBondContact CA-O 3.35Å; W179-F335 HydrophobicContact CD2-CB 3.8Å; W179-F335 HydrophobicContact CD2-CD2 4.18Å; W179-F335 HydrophobicContact CD2-CG 4.22Å; W179-F335 AromaticContact CE2-CD2 3.83Å; W179-F335 HydrophobicContact CE3-CB 3.43Å; W179-F335 VanDerWaalsContact CE3-CB 3.43Å; W179-F335 HydrophobicContact CE3-CD2 4.42Å; W179-F335 HydrophobicContact CE3-CG 4.01Å; W179-F335 HydrophobicContact CG-CB 4.46Å; W179-F335 HydrophobicContact CH2-CB 4.16Å; W179-F335 HydrophobicContact CH2-CD1 4.08Å; W179-F335 HydrophobicContact CH2-CD2 4Å; W179-F335 HydrophobicContact CH2-CE1 4.49Å; W179-F335 HydrophobicContact CH2-CE2 4.43Å; W179-F335 AromaticContact CH2-CG 3.81Å; W179-F335 HydrophobicContact CH2-CG 3.81Å; W179-F335 HydrophobicContact CZ2-CB 4.49Å; W179-F335 AromaticContact CZ2-CD2 3.75Å; W179-F335 HydrophobicContact CZ2-CD2 3.75Å; W179-F335 HydrophobicContact CZ2-CE2 4.08Å; W179-F335 HydrophobicContact CZ2-CG 4.04Å; W179-F335 HydrophobicContact CZ3-CB 3.64Å; W179-F335 HydrophobicContact CZ3-CD1 4.18Å; W179-F335 HydrophobicContact CZ3-CD2 4.34Å; W179-F335 AromaticContact CZ3-CG 3.81Å; W179-F335 HydrophobicContact CZ3-CG 3.81Å; W179-V337 HydrophobicContact CE3-CG2 3.85Å; W179-V337 HydrophobicContact CZ3-CG2 3.82Å; W179-L345 HydrophobicContact CB-CD1 4.02Å; W179-L345 HydrophobicContact CD2-CD1 4.13Å; W179-L345 HydrophobicContact CE3-CD1 3.55Å; W179-L345 HydrophobicContact CE3-CD2 3.81Å; W179-L345 HydrophobicContact CE3-CG 4.34Å; W179-L345 HydrophobicContact CG-CD1 4.36Å; W179-L345 HydrophobicContact CZ3-CD1 4.37Å; W179-L345 HydrophobicContact CZ3-CD2 3.83Å; W179-V348 HydrophobicContact CD2-CG1 4.34Å; W179-V348 HydrophobicContact CG-CG1 4.26Å; W179-V348 HydrophobicContact CZ2-CG1 4.5Å; W179-T350 PolarHBondContact NE1-OG1 2.78Å; W179-V352 HydrophobicContact CB-CB 4.35Å; W179-V352 HydrophobicContact CB-CG1 4.15Å; W179-V352 HydrophobicContact CB-CG2 3.98Å; W179-V352 HydrophobicContact CG-CG2 4.47Å; W179-D353 PolarHBondContact O-N 2.98Å |
| 180 | L | 91.7 | Very high | 69.7 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118 | 168.4 | 176.5 | 57.5 | 0 | 0 | 0 | 109.1 | L131 K134 L135 L138 F335 L336 V337 D353 | L131-L180 HydrophobicContact CD1-CD2 4.1Å; K134-L180 HydrophobicContact CB-CD1 4.18Å; K134-L180 HydrophobicContact CB-CD2 3.95Å; K134-L180 HydrophobicContact CD-CD1 3.92Å; L135-L180 HydrophobicContact CD2-CD2 3.98Å; L135-L180 HydrophobicContact CG-CD2 4.19Å; L138-L180 HydrophobicContact CD1-CB 3.43Å; L138-L180 VanDerWaalsContact CD1-CB 3.43Å; L180-F335 PolarHBondContact N-O 2.84Å; L180-L336 HydrophobicContact CB-CD1 3.83Å; L180-L336 HydrophobicContact CD2-CD1 3.59Å; L180-L336 HydrophobicContact CG-CD1 3.55Å; L180-L336 CarbonylContact O-C 3.53Å; L180-L336 WeakPolarHBondContact O-CA 3.26Å; L180-V337 PolarHBondContact O-N 2.92Å; L180-D353 CarbonylContact C-O 3.56Å; L180-D353 WeakPolarHBondContact CA-O 3.45Å; L180-D353 HydrophobicContact CD1-CB 4.12Å |
| 181 | L | 90.8 | Very high | 71.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.3 | 176.5 | 176 | 61.5 | 0 | 0 | 0 | 110.4 | H183 V337 L342 I344 L345 V352 D353 R354 L355 | L181-H183 HydrophobicContact CD2-CB 4.48Å; L181-H183 HydrophobicContact CG-CB 4.25Å; L181-V337 WeakPolarHBondContact CA-O 3.46Å; L181-V337 HydrophobicContact CD1-CB 4.12Å; L181-V337 HydrophobicContact CD1-CG1 3.95Å; L181-L342 WeakPolarHBondContact CD2-O 3.36Å; L181-I344 HydrophobicContact CD1-CG2 3.44Å; L181-I344 VanDerWaalsContact CD1-CG2 3.44Å; L181-I344 HydrophobicContact CD2-CG2 3.95Å; L181-I344 HydrophobicContact CG-CG2 4.35Å; L181-L345 HydrophobicContact CB-CD1 4.09Å; L181-V352 HydrophobicContact CB-CG1 3.87Å; L181-D353 PolarHBondContact N-O 3.45Å; L181-R354 HydrophobicContact CB-CG 4.32Å; L181-R354 HydrophobicContact CD2-CG 4.38Å; L181-R354 CarbonylContact O-C 3.53Å; L181-R354 WeakPolarHBondContact O-CA 3.31Å; L181-L355 PolarHBondContact O-N 3.13Å |
| 182 | I | 90.2 | Very high | 73.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 111.7 | 166.9 | -55.3 | 174.5 | 0 | 0 | 0 | 108.2 | L131 K190 S194 L336 V337 T338 S339 L355 L357 | L131-I182 HydrophobicContact CD1-CD1 3.49Å; L131-I182 VanDerWaalsContact CD1-CD1 3.49Å; L131-I182 HydrophobicContact CD1-CG1 3.96Å; L131-I182 HydrophobicContact CD2-CD1 4.16Å; I182-K190 HydrophobicContact CG2-CB 3.87Å; I182-K190 HydrophobicContact CG2-CG 4.08Å; I182-S194 WeakPolarHBondContact CD1-OG 3.22Å; I182-L336 HydrophobicContact CD1-CD1 3.85Å; I182-L336 HydrophobicContact CD1-CD2 4.46Å; I182-L336 HydrophobicContact CD1-CG 4.46Å; I182-L336 HydrophobicContact CG1-CD1 4.03Å; I182-V337 PolarHBondContact N-O 3.46Å; I182-T338 WeakPolarHBondContact O-CA 3.28Å; I182-S339 PolarHBondContact O-N 3.29Å; I182-L355 WeakPolarHBondContact CA-O 3.06Å; I182-L355 HydrophobicContact CG1-CB 4.46Å; I182-L355 HydrophobicContact CG1-CD2 4.44Å; I182-L357 HydrophobicContact CG2-CD1 3.41Å; I182-L357 VanDerWaalsContact CG2-CD1 3.41Å; I182-L357 HydrophobicContact CG2-CG 3.93Å |
| 183 | H | 85 | Confident | 76.2 | Confident | 19 Ų | 19 | 19.6 Ų | 19.6 | 9% | 0.088 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150.1 | -178.7 | 76.4 | 97.3 | 0 | 0 | 0 | 112.9 | L181 S339 L342 L355 H356 L357 | L181-H183 HydrophobicContact CD2-CB 4.48Å; L181-H183 HydrophobicContact CG-CB 4.25Å; H183-S339 WeakPolarHBondContact CA-O 3.42Å; H183-L342 WeakPolarHBondContact NE2-CD1 3.31Å; H183-L355 PolarHBondContact CD2-O 3.34Å; H183-L355 PolarHBondContact N-O 3.46Å; H183-H356 AromaticContact CE1-CE1 3.93Å; H183-H356 AromaticContact CE1-CG 3.5Å; H183-H356 VanDerWaalsContact CE1-CG 3.5Å; H183-H356 AromaticContact CE1-ND1 2.98Å; H183-H356 PolarHBondContact CE1-ND1 3.02Å; H183-H356 AromaticContact ND1-ND1 3.33Å; H183-H356 PolarHBondContact ND1-ND1 3.09Å; H183-H356 WeakPolarHBondContact NE2-CB 3.38Å; H183-H356 AromaticContact NE2-CG 3.86Å; H183-H356 AromaticContact NE2-ND1 3.69Å; H183-H356 WeakPolarHBondContact O-CA 3.36Å; H183-H356 PolarHBondContact O-ND1 2.88Å; H183-L357 PolarHBondContact O-N 2.94Å |
| 184 | G | 79 | Confident | 78.2 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | 164.5 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K190 S339 | G184-K190 PolarHBondContact O-NZ 3.33Å; G184-S339 PolarHBondContact N-O 3.46Å | ||
| 185 | S | 75.7 | Confident | 79.9 | Confident | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | trans | -60 | 156.3 | -174.7 | 71.2 | 0 | 0 | 0 | 0 | 113.5 | G187 S188 K190 N359 | S185-G187 PolarHBondContact O-N 3.27Å; S185-S188 WeakPolarHBondContact O-CB 3.3Å; S185-S188 PolarHBondContact O-N 3.17Å; S185-S188 PolarHBondContact O-OG 3.04Å; S185-K190 PolarHBondContact O-NZ 3.49Å; S185-N359 VanDerWaalsContact CB-OD1 3.28Å; S185-N359 WeakPolarHBondContact CB-OD1 3.3Å; S185-N359 PolarHBondContact OG-OD1 3.34Å | ||
| 186 | P | 72.7 | Confident | 81.3 | Confident | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.013 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 132.6 | 170 | -20.4 | 30.5 | 0 | 0 | 0 | 111 | S188 R340 A460 F461 S464 | P186-S188 VanDerWaalsContact C-N 3.34Å; P186-S188 PolarHBondContact O-N 2.82Å; P186-R340 HydrophobicContact CG-CG 4.33Å; P186-A460 HydrophobicContact CB-CB 3.8Å; P186-F461 HydrophobicContact CB-CD1 4.27Å; P186-F461 HydrophobicContact CB-CE1 4.28Å; P186-F461 HydrophobicContact CG-CD1 3.98Å; P186-F461 HydrophobicContact CG-CE1 4.21Å; P186-S464 WeakPolarHBondContact CG-OG 3.05Å |
| 187 | G | 71.9 | Confident | 82.2 | Confident | 21 Ų | 21 | 5.1 Ų | 5.1 | 22% | 0.216 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -0.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S185 G189 F410 | S185-G187 PolarHBondContact O-N 3.27Å; G187-G189 PolarHBondContact O-N 3.44Å; G187-G189 VanDerWaalsContact O-N 3.14Å; G187-F410 VanDerWaalsContact O-CB 3.28Å; G187-F410 WeakPolarHBondContact O-CB 3.41Å; G187-F410 PolarHBondContact O-N 3.46Å |
| 188 | S | 75.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 5.1 Ų | 5.1 | 2% | 0.021 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -69.1 | -4 | 171.7 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | I122 S185 P186 K190 | I122-S188 VanDerWaalsContact CD1-O 3.3Å; I122-S188 WeakPolarHBondContact CD1-O 3.42Å; S185-S188 WeakPolarHBondContact O-CB 3.3Å; S185-S188 PolarHBondContact O-N 3.17Å; S185-S188 PolarHBondContact O-OG 3.04Å; P186-S188 VanDerWaalsContact C-N 3.34Å; P186-S188 PolarHBondContact O-N 2.82Å; S188-K190 WeakPolarHBondContact OG-CG 3.42Å |
| 189 | G | 78.1 | Confident | 82.2 | Confident | 14 Ų | 14 | 7.4 Ų | 7.4 | 14% | 0.144 | 4% | 0.044 | C | C | . | . | trans | 69.5 | 34.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | I122 G187 S191 V192 L193 | I122-G189 VanDerWaalsContact CD1-CA 3.41Å; I122-G189 WeakPolarHBondContact CD1-O 3.45Å; G187-G189 PolarHBondContact O-N 3.44Å; G187-G189 VanDerWaalsContact O-N 3.14Å; G189-S191 VanDerWaalsContact C-N 3.29Å; G189-S191 PolarHBondContact O-N 3.4Å; G189-V192 WeakPolarHBondContact O-CB 3.29Å; G189-V192 PolarHBondContact O-N 2.9Å; G189-V192 VanDerWaalsContact O-N 3.1Å; G189-L193 PolarHBondContact O-N 3.36Å | ||
| 190 | K | 84.9 | Confident | 81.3 | Confident | 10 Ų | 10 | 12 Ų | 12 | 4% | 0.043 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -43.6 | -51.2 | 168.9 | -50.3 | 178.5 | -82.3 | -76.5 | 0 | 113.4 | I182 G184 S185 S188 S194 T338 S339 L357 | I182-K190 HydrophobicContact CG2-CB 3.87Å; I182-K190 HydrophobicContact CG2-CG 4.08Å; G184-K190 PolarHBondContact O-NZ 3.33Å; S185-K190 PolarHBondContact O-NZ 3.49Å; S188-K190 WeakPolarHBondContact OG-CG 3.42Å; K190-S194 PolarHBondContact O-N 3.1Å; K190-S194 VanDerWaalsContact O-N 3.14Å; K190-S194 PolarHBondContact O-OG 2.87Å; K190-T338 HydrophobicContact CB-CG2 4.3Å; K190-S339 WeakPolarHBondContact CD-O 3.49Å; K190-S339 WeakPolarHBondContact CE-O 3.43Å; K190-L357 HydrophobicContact CB-CD1 4Å; K190-L357 HydrophobicContact CG-CD1 3.78Å |
| 191 | S | 83.2 | Confident | 80.5 | Confident | 13 Ų | 13 | 14.6 Ų | 14.6 | 9% | 0.091 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 180 | -37.9 | 0 | 0 | 0 | 0 | 111.7 | G189 L193 S194 A195 W215 D317 | G189-S191 VanDerWaalsContact C-N 3.29Å; G189-S191 PolarHBondContact O-N 3.4Å; S191-L193 PolarHBondContact O-N 2.97Å; S191-S194 PolarHBondContact O-N 3.18Å; S191-A195 PolarHBondContact O-N 3.42Å; S191-W215 VanDerWaalsContact O-CH2 3.3Å; S191-W215 WeakPolarHBondContact O-CH2 3.49Å; S191-D317 WeakPolarHBondContact CB-OD1 3.42Å; S191-D317 WeakPolarHBondContact CB-OD2 3.38Å; S191-D317 PolarHBondContact OG-OD1 3.32Å; S191-D317 PolarHBondContact OG-OD2 2.92Å |
| 192 | V | 80.7 | Confident | 79.4 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | P118 I122 G189 A195 S196 Y452 | P118-V192 HydrophobicContact CB-CG1 3.63Å; P118-V192 WeakPolarHBondContact O-CG1 3.26Å; I122-V192 HydrophobicContact CB-CG1 3.95Å; I122-V192 HydrophobicContact CD1-CB 4.34Å; I122-V192 HydrophobicContact CG1-CB 4.43Å; I122-V192 HydrophobicContact CG1-CG1 4.3Å; G189-V192 WeakPolarHBondContact O-CB 3.29Å; G189-V192 PolarHBondContact O-N 2.9Å; G189-V192 VanDerWaalsContact O-N 3.1Å; V192-A195 PolarHBondContact O-N 2.96Å; V192-S196 WeakPolarHBondContact O-CB 3.41Å; V192-S196 PolarHBondContact O-N 2.98Å; V192-Y452 HydrophobicContact CG2-CE2 4.37Å; V192-Y452 WeakPolarHBondContact CG2-OH 3.48Å |
| 193 | L | 84.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | -177 | -173.4 | 76.4 | 0 | 0 | 0 | 110.7 | I122 L127 V128 L131 G189 S191 A195 S196 V197 L357 | I122-L193 HydrophobicContact CG2-CD1 4Å; L127-L193 HydrophobicContact CB-CD1 4.23Å; L127-L193 HydrophobicContact CB-CD2 4.07Å; V128-L193 HydrophobicContact CG2-CD1 3.76Å; L131-L193 HydrophobicContact CD2-CG 4.49Å; G189-L193 PolarHBondContact O-N 3.36Å; S191-L193 PolarHBondContact O-N 2.97Å; L193-A195 VanDerWaalsContact C-N 3.29Å; L193-A195 PolarHBondContact O-N 3.06Å; L193-S196 WeakPolarHBondContact O-CB 3.31Å; L193-S196 PolarHBondContact O-N 3.43Å; L193-S196 VanDerWaalsContact O-N 3.11Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 3.35Å; L193-L357 HydrophobicContact CD2-CD1 4.04Å; L193-L357 HydrophobicContact CD2-CD2 3.6Å; L193-L357 HydrophobicContact CD2-CG 4.45Å |
| 194 | S | 86.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.4 | -45.4 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111.2 | I182 K190 S191 L198 | I182-S194 WeakPolarHBondContact CD1-OG 3.22Å; K190-S194 PolarHBondContact O-N 3.1Å; K190-S194 VanDerWaalsContact O-N 3.14Å; K190-S194 PolarHBondContact O-OG 2.87Å; S191-S194 PolarHBondContact O-N 3.18Å; S194-L198 WeakPolarHBondContact O-CD1 3.37Å; S194-L198 VanDerWaalsContact O-CG 3.22Å; S194-L198 WeakPolarHBondContact O-CG 3.46Å; S194-L198 PolarHBondContact O-N 3.31Å |
| 195 | A | 82.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.1 | -34.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | V114 P118 S191 V192 L193 R199 W215 | V114-A195 HydrophobicContact CB-CB 4.27Å; V114-A195 HydrophobicContact CG1-CB 3.27Å; V114-A195 HydrophobicContact CG2-CB 4.11Å; P118-A195 HydrophobicContact CB-CB 4.37Å; P118-A195 HydrophobicContact CG-CB 4.43Å; S191-A195 PolarHBondContact O-N 3.42Å; V192-A195 PolarHBondContact O-N 2.96Å; L193-A195 VanDerWaalsContact C-N 3.29Å; L193-A195 PolarHBondContact O-N 3.06Å; A195-R199 WeakPolarHBondContact O-CB 3.29Å; A195-R199 VanDerWaalsContact O-CG 3.26Å; A195-R199 WeakPolarHBondContact O-CG 3.38Å; A195-R199 PolarHBondContact O-N 2.65Å; A195-W215 HydrophobicContact CB-CH2 3.56Å; A195-W215 HydrophobicContact CB-CZ3 3.69Å |
| 196 | S | 81.7 | Confident | 77.6 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 177.9 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | V192 L193 L198 R199 Q200 | V192-S196 WeakPolarHBondContact O-CB 3.41Å; V192-S196 PolarHBondContact O-N 2.98Å; L193-S196 WeakPolarHBondContact O-CB 3.31Å; L193-S196 PolarHBondContact O-N 3.43Å; L193-S196 VanDerWaalsContact O-N 3.11Å; S196-L198 PolarHBondContact O-N 2.96Å; S196-R199 PolarHBondContact O-N 3.29Å; S196-Q200 WeakPolarHBondContact O-CB 3.3Å; S196-Q200 WeakPolarHBondContact O-CG 3.38Å; S196-Q200 PolarHBondContact O-N 3.18Å |
| 197 | V | 84.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | V128 L131 L135 L193 R199 Q200 E201 | V128-V197 HydrophobicContact CB-CG2 4.02Å; V128-V197 HydrophobicContact CG1-CG2 3.71Å; V128-V197 HydrophobicContact CG2-CG2 4.13Å; L131-V197 HydrophobicContact CB-CG2 4.11Å; L131-V197 HydrophobicContact CD2-CB 4Å; L131-V197 HydrophobicContact CD2-CG1 4.36Å; L131-V197 HydrophobicContact CD2-CG2 3.68Å; L131-V197 HydrophobicContact CG-CG2 4.33Å; L135-V197 HydrophobicContact CD1-CG1 3.9Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 3.35Å; V197-R199 PolarHBondContact O-N 3.4Å; V197-Q200 PolarHBondContact O-N 3.34Å; V197-E201 PolarHBondContact O-N 3.21Å |
| 198 | L | 80.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -23.6 | -179.6 | -61 | 163.6 | 0 | 0 | 0 | 113.4 | L109 L135 S194 S196 L205 W215 L313 I315 | L109-L198 HydrophobicContact CD2-CD1 4.4Å; L135-L198 HydrophobicContact CD1-CD2 4.36Å; S194-L198 WeakPolarHBondContact O-CD1 3.37Å; S194-L198 VanDerWaalsContact O-CG 3.22Å; S194-L198 WeakPolarHBondContact O-CG 3.46Å; S194-L198 PolarHBondContact O-N 3.31Å; S196-L198 PolarHBondContact O-N 2.96Å; L198-L205 HydrophobicContact CB-CD1 4.48Å; L198-L205 HydrophobicContact CD2-CD2 3.61Å; L198-L205 HydrophobicContact CD2-CG 4.4Å; L198-L205 VanDerWaalsContact O-CD1 3.3Å; L198-L205 WeakPolarHBondContact O-CD1 3.4Å; L198-W215 HydrophobicContact CD1-CE3 4.28Å; L198-W215 HydrophobicContact CD1-CZ3 3.88Å; L198-L313 HydrophobicContact CD2-CD2 3.98Å; L198-I315 HydrophobicContact CD1-CD1 3.25Å |
| 199 | R | 75.5 | Confident | 77.7 | Confident | 56 Ų | 56 | 29.5 Ų | 29.5 | 21% | 0.211 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -87.7 | -34.1 | 176.2 | -73.3 | -177.3 | -171.8 | -168.3 | 6.9 | 113.7 | L109 P115 D116 A195 S196 V197 | L109-R199 HydrophobicContact CD1-CG 3.34Å; L109-R199 VanDerWaalsContact CD1-NE 3.34Å; P115-R199 PolarHBondContact O-NH2 2.96Å; D116-R199 PolarHBondContact O-NH1 3.01Å; A195-R199 WeakPolarHBondContact O-CB 3.29Å; A195-R199 VanDerWaalsContact O-CG 3.26Å; A195-R199 WeakPolarHBondContact O-CG 3.38Å; A195-R199 PolarHBondContact O-N 2.65Å; S196-R199 PolarHBondContact O-N 3.29Å; V197-R199 PolarHBondContact O-N 3.4Å |
| 200 | Q | 71.4 | Confident | 77.1 | Confident | 101 Ų | 101 | 31.7 Ų | 31.7 | 47% | 0.472 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -81.6 | -38.5 | -176.7 | -73.6 | 177 | -21 | 0 | 0 | 111.6 | S196 V197 | S196-Q200 WeakPolarHBondContact O-CB 3.3Å; S196-Q200 WeakPolarHBondContact O-CG 3.38Å; S196-Q200 PolarHBondContact O-N 3.18Å; V197-Q200 PolarHBondContact O-N 3.34Å |
| 201 | E | 74.3 | Confident | 76.2 | Confident | 53 Ų | 53 | 32.3 Ų | 32.3 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | trans | -105.8 | 71.6 | -176.7 | -64.8 | -177.1 | -178.4 | 0 | 0 | 111 | S132 V197 T203 L204 | S132-E201 WeakPolarHBondContact CB-OE2 3.16Å; S132-E201 PolarHBondContact OG-OE1 3.44Å; S132-E201 PolarHBondContact OG-OE2 3.22Å; V197-E201 PolarHBondContact O-N 3.21Å; E201-T203 PolarHBondContact O-N 2.8Å; E201-L204 HydrophobicContact CB-CB 4Å; E201-L204 WeakPolarHBondContact O-CB 3.39Å; E201-L204 PolarHBondContact O-N 2.86Å; E201-L204 VanDerWaalsContact O-N 3.09Å | ||
| 202 | S | 68.4 | Low | 75.7 | Confident | 59 Ų | 59 | 32.8 Ų | 32.8 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.2 | -28.3 | 175.9 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | L204 L205 V206 | S202-L204 VanDerWaalsContact C-N 3.34Å; S202-L205 PolarHBondContact O-N 3.1Å; S202-V206 WeakPolarHBondContact O-CG2 3.33Å; S202-V206 PolarHBondContact O-N 3.36Å; S202-V206 VanDerWaalsContact O-N 3.12Å |
| 203 | T | 73.7 | Confident | 75.7 | Confident | 86 Ų | 86 | 33.2 Ų | 33.2 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -41.1 | 174.6 | 51 | 0 | 0 | 0 | 0 | 111.9 | E201 L205 V206 D207 | E201-T203 PolarHBondContact O-N 2.8Å; T203-L205 PolarHBondContact O-N 2.67Å; T203-V206 PolarHBondContact O-N 3.44Å; T203-V206 VanDerWaalsContact O-N 3.16Å; T203-D207 VanDerWaalsContact O-CB 3.31Å; T203-D207 WeakPolarHBondContact O-CB 3.38Å; T203-D207 VanDerWaalsContact O-CG 3.26Å; T203-D207 PolarHBondContact O-N 2.82Å |
| 204 | L | 76.6 | Confident | 75.5 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -36.3 | 178.1 | -173.7 | 140.8 | 0 | 0 | 0 | 111.3 | S132 L135 E201 S202 C208 F209 | S132-L204 WeakPolarHBondContact OG-CD1 3.28Å; L135-L204 HydrophobicContact CB-CD1 4.15Å; L135-L204 HydrophobicContact CB-CD2 4.06Å; L135-L204 HydrophobicContact CD1-CD2 4.09Å; E201-L204 HydrophobicContact CB-CB 4Å; E201-L204 WeakPolarHBondContact O-CB 3.39Å; E201-L204 PolarHBondContact O-N 2.86Å; E201-L204 VanDerWaalsContact O-N 3.09Å; S202-L204 VanDerWaalsContact C-N 3.34Å; L204-C208 WeakPolarHBondContact O-CA 3.19Å; L204-C208 WeakPolarHBondContact O-CB 3.29Å; L204-C208 PolarHBondContact O-N 2.85Å; L204-F209 HydrophobicContact CD2-CD2 4.08Å; L204-F209 HydrophobicContact CD2-CE2 3.88Å |
| 205 | L | 72 | Confident | 75.4 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -42.6 | 175.2 | -67.6 | 179.3 | 0 | 0 | 0 | 112.9 | L105 L198 S202 T203 F209 V213 | L105-L205 HydrophobicContact CD1-CD1 3.51Å; L105-L205 HydrophobicContact CD2-CD1 3.7Å; L105-L205 HydrophobicContact CG-CD1 4.1Å; L198-L205 HydrophobicContact CB-CD1 4.48Å; L198-L205 HydrophobicContact CD2-CD2 3.61Å; L198-L205 HydrophobicContact CD2-CG 4.4Å; L198-L205 VanDerWaalsContact O-CD1 3.3Å; L198-L205 WeakPolarHBondContact O-CD1 3.4Å; S202-L205 PolarHBondContact O-N 3.1Å; T203-L205 PolarHBondContact O-N 2.67Å; L205-F209 HydrophobicContact CD2-CD2 4.46Å; L205-F209 CarbonylContact O-C 3.58Å; L205-F209 WeakPolarHBondContact O-CA 3.39Å; L205-F209 PolarHBondContact O-N 2.95Å; L205-F209 VanDerWaalsContact O-N 3.15Å; L205-F209 VanDerWaalsContact O-O 3.12Å; L205-V213 HydrophobicContact CD2-CG2 3.32Å |
| 206 | V | 68.2 | Low | 75.3 | Confident | 80 Ų | 80 | 34.1 Ų | 34.1 | 49% | 0.485 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.3 | -42.9 | -179.2 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | S202 T203 | S202-V206 WeakPolarHBondContact O-CG2 3.33Å; S202-V206 PolarHBondContact O-N 3.36Å; S202-V206 VanDerWaalsContact O-N 3.12Å; T203-V206 PolarHBondContact O-N 3.44Å; T203-V206 VanDerWaalsContact O-N 3.16Å |
| 207 | D | 68.3 | Low | 75.2 | Confident | 100 Ų | 100 | 37.6 Ų | 37.6 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -87.5 | -36.4 | -171.4 | -61.5 | -21.7 | 0 | 0 | 0 | 112.8 | T203 | T203-D207 VanDerWaalsContact O-CB 3.31Å; T203-D207 WeakPolarHBondContact O-CB 3.38Å; T203-D207 VanDerWaalsContact O-CG 3.26Å; T203-D207 PolarHBondContact O-N 2.82Å |
| 208 | C | 75.8 | Confident | 74.8 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.054 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -100.9 | -34.4 | -174.1 | -56.6 | 0 | 0 | 0 | 0 | 113 | A139 L204 | A139-C208 HydrophobicContact CB-CB 3.53Å; L204-C208 WeakPolarHBondContact O-CA 3.19Å; L204-C208 WeakPolarHBondContact O-CB 3.29Å; L204-C208 PolarHBondContact O-N 2.85Å |
| 209 | F | 78.6 | Confident | 74.3 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | trans | -129 | 55.7 | -175.5 | -54.6 | -72.5 | 0 | 0 | 0 | 113.5 | L135 L138 A139 L204 L205 G211 G212 L311 L313 A334 | L135-F209 HydrophobicContact CB-CE2 4.3Å; L135-F209 HydrophobicContact CD2-CE2 4.43Å; L135-F209 HydrophobicContact CD2-CZ 4.43Å; L135-F209 WeakPolarHBondContact O-CZ 3.48Å; L138-F209 HydrophobicContact CD2-CE1 3.98Å; L138-F209 HydrophobicContact CD2-CZ 4.06Å; A139-F209 HydrophobicContact CB-CE1 4.12Å; A139-F209 HydrophobicContact CB-CZ 4.01Å; L204-F209 HydrophobicContact CD2-CD2 4.08Å; L204-F209 HydrophobicContact CD2-CE2 3.88Å; L205-F209 HydrophobicContact CD2-CD2 4.46Å; L205-F209 CarbonylContact O-C 3.58Å; L205-F209 WeakPolarHBondContact O-CA 3.39Å; L205-F209 PolarHBondContact O-N 2.95Å; L205-F209 VanDerWaalsContact O-N 3.15Å; L205-F209 VanDerWaalsContact O-O 3.12Å; F209-G211 PolarHBondContact O-N 3.39Å; F209-G212 PolarHBondContact O-N 3.4Å; F209-L311 CarbonylContact C-O 3.52Å; F209-L311 VanDerWaalsContact C-O 3.25Å; F209-L311 WeakPolarHBondContact CA-O 3.33Å; F209-L311 HydrophobicContact CD1-CD2 3.81Å; F209-L311 HydrophobicContact CD1-CG 4.09Å; F209-L311 HydrophobicContact CE1-CD2 3.78Å; F209-L311 HydrophobicContact CE1-CG 4.43Å; F209-L313 HydrophobicContact CB-CB 4.22Å; F209-L313 HydrophobicContact CD1-CB 3.66Å; F209-L313 HydrophobicContact CD1-CD1 4.4Å; F209-L313 HydrophobicContact CD1-CG 4.45Å; F209-L313 HydrophobicContact CD2-CB 4.4Å; F209-L313 HydrophobicContact CD2-CD2 4.15Å; F209-L313 HydrophobicContact CE1-CB 4.09Å; F209-L313 HydrophobicContact CE1-CD1 3.93Å; F209-L313 HydrophobicContact CE1-CG 4.43Å; F209-L313 HydrophobicContact CE2-CD2 4.12Å; F209-L313 HydrophobicContact CG-CB 3.83Å; F209-L313 HydrophobicContact CG-CD2 4.41Å; F209-L313 HydrophobicContact CZ-CD1 4.06Å; F209-L313 HydrophobicContact CZ-CD2 4.36Å; F209-A334 HydrophobicContact CE1-CB 4.02Å | ||
| 210 | P | 65.1 | Low | 73.9 | Confident | 61 Ų | 61 | 38.1 Ų | 38.1 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -16.3 | -176.2 | 24.7 | -33.7 | 0 | 0 | 0 | 113.8 | G212 I308 | P210-G212 PolarHBondContact O-N 2.93Å; P210-I308 HydrophobicContact CG-CG2 4.17Å |
| 211 | G | 66.3 | Low | 73.7 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | F209 L311 L312 | F209-G211 PolarHBondContact O-N 3.39Å; G211-L311 VanDerWaalsContact CA-O 3.3Å; G211-L311 WeakPolarHBondContact CA-O 3.44Å; G211-L311 PolarHBondContact N-O 3.07Å; G211-L312 WeakPolarHBondContact O-CD1 3.04Å |
| 212 | G | 72.5 | Confident | 73 | Confident | 24 Ų | 24 | 34.7 Ų | 34.7 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.1 | 179.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F209 P210 L313 | F209-G212 PolarHBondContact O-N 3.4Å; P210-G212 PolarHBondContact O-N 2.93Å; G212-L313 PolarHBondContact O-N 3.44Å |
| 213 | V | 80.5 | Confident | 72.1 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.3 | -178.5 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | L205 L313 I315 | L205-V213 HydrophobicContact CD2-CG2 3.32Å; V213-L313 CarbonylContact C-O 3.58Å; V213-L313 WeakPolarHBondContact CA-O 3.41Å; V213-L313 HydrophobicContact CG1-CD2 4.37Å; V213-L313 HydrophobicContact CG2-CB 4.32Å; V213-L313 HydrophobicContact CG2-CD2 4.38Å; V213-I315 HydrophobicContact CG1-CD1 3.5Å; V213-I315 HydrophobicContact CG1-CG1 4.02Å |
| 214 | I | 81.2 | Confident | 70.7 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.1 | 169.2 | -60.6 | -178.7 | 0 | 0 | 0 | 107.9 | R248 V249 L252 L312 L313 I315 | I214-R248 HydrophobicContact CG2-CB 4.35Å; I214-V249 HydrophobicContact CD1-CB 4.3Å; I214-V249 HydrophobicContact CD1-CG2 3.56Å; I214-L252 HydrophobicContact CD1-CD1 3.71Å; I214-L252 HydrophobicContact CG1-CD1 3.37Å; I214-L312 HydrophobicContact CD1-CD1 4.32Å; I214-L312 HydrophobicContact CD1-CD2 3.8Å; I214-L312 HydrophobicContact CD1-CG 4.44Å; I214-L312 HydrophobicContact CG1-CD1 4.26Å; I214-L312 HydrophobicContact CG1-CD2 4.42Å; I214-L313 PolarHBondContact N-O 2.7Å; I214-I315 PolarHBondContact O-N 3.43Å |
| 215 | W | 84 | Confident | 68.7 | Low | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.9 | 171.5 | -162.9 | -49.1 | 0 | 0 | 0 | 110.1 | L109 G112 V114 S191 A195 L198 R248 I315 D317 | L109-W215 HydrophobicContact CD2-CD2 4.43Å; L109-W215 HydrophobicContact CD2-CE3 3.33Å; L109-W215 HydrophobicContact CD2-CZ3 3.64Å; G112-W215 VanDerWaalsContact CA-NE1 3.3Å; G112-W215 PolarHBondContact O-NE1 3.38Å; G112-W215 VanDerWaalsContact O-NE1 3.14Å; V114-W215 HydrophobicContact CG2-CD2 4.28Å; V114-W215 HydrophobicContact CG2-CH2 3.49Å; V114-W215 VanDerWaalsContact CG2-CH2 3.49Å; V114-W215 HydrophobicContact CG2-CZ2 3.16Å; V114-W215 HydrophobicContact CG2-CZ3 4.13Å; S191-W215 VanDerWaalsContact O-CH2 3.3Å; S191-W215 WeakPolarHBondContact O-CH2 3.49Å; A195-W215 HydrophobicContact CB-CH2 3.56Å; A195-W215 HydrophobicContact CB-CZ3 3.69Å; L198-W215 HydrophobicContact CD1-CE3 4.28Å; L198-W215 HydrophobicContact CD1-CZ3 3.88Å; W215-R248 PolarHBondContact O-NH1 3.14Å; W215-I315 HydrophobicContact CB-CB 4.46Å; W215-I315 HydrophobicContact CD2-CB 4.25Å; W215-I315 HydrophobicContact CD2-CD1 4.2Å; W215-I315 HydrophobicContact CD2-CG2 3.96Å; W215-I315 HydrophobicContact CE3-CD1 3.61Å; W215-I315 HydrophobicContact CE3-CG2 4.3Å; W215-I315 HydrophobicContact CG-CB 4.21Å; W215-I315 HydrophobicContact CG-CG2 4.25Å; W215-I315 HydrophobicContact CZ2-CG2 4.35Å; W215-I315 HydrophobicContact CZ3-CD1 4.01Å; W215-D317 VanDerWaalsContact NE1-CB 3.34Å |
| 216 | M | 81.8 | Confident | 66.9 | Low | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 129.9 | 176.1 | -171.5 | 173.2 | -63.9 | 0 | 0 | 111.7 | F241 R244 L245 R248 I315 D317 | M216-F241 HydrophobicContact SD-CD2 4.08Å; M216-F241 HydrophobicContact SD-CE2 3.84Å; M216-R244 HydrophobicContact CE-CB 4.36Å; M216-R244 HydrophobicContact SD-CB 4.46Å; M216-L245 HydrophobicContact CE-CB 4.29Å; M216-L245 HydrophobicContact CE-CD1 4.09Å; M216-L245 HydrophobicContact SD-CD1 4.11Å; M216-R248 HydrophobicContact CE-CB 4.42Å; M216-R248 HydrophobicContact CE-CG 3.94Å; M216-I315 PolarHBondContact N-O 2.89Å; M216-D317 PolarHBondContact O-N 2.97Å |
| 217 | H | 80.1 | Confident | 65.4 | Low | 76 Ų | 76 | 55.3 Ų | 55.3 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.6 | 169 | 178.4 | -71 | 0 | 0 | 0 | 110.2 | ||
| 218 | V | 75.7 | Confident | 63.7 | Low | 17 Ų | 17 | 55.7 Ų | 55.7 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -58.3 | -178.1 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | L221 F241 L316 D317 V319 V324 | V218-L221 HydrophobicContact CG1-CD1 4.15Å; V218-L221 HydrophobicContact CG1-CD2 4.4Å; V218-L221 HydrophobicContact CG1-CG 4.1Å; V218-F241 HydrophobicContact CG1-CD2 4.35Å; V218-F241 HydrophobicContact CG1-CE2 4.21Å; V218-F241 HydrophobicContact CG2-CD2 4.49Å; V218-F241 HydrophobicContact CG2-CE2 3.71Å; V218-F241 HydrophobicContact CG2-CZ 4.17Å; V218-L316 HydrophobicContact CG2-CB 3.95Å; V218-L316 HydrophobicContact CG2-CD2 4.14Å; V218-D317 PolarHBondContact N-O 2.91Å; V218-V319 HydrophobicContact CB-CG2 4.05Å; V218-V319 HydrophobicContact CG2-CG2 3.83Å; V218-V324 HydrophobicContact CG1-CG2 4.26Å |
| 219 | G | 70.1 | Confident | 61.8 | Low | 3 Ų | 3 | 62.6 Ų | 62.6 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.8 | -165.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L221 D318 | G219-L221 PolarHBondContact O-N 2.88Å; G219-D318 VanDerWaalsContact CA-O 3.24Å; G219-D318 WeakPolarHBondContact CA-O 3.49Å; G219-D318 PolarHBondContact N-O 3.38Å |
| 220 | P | 67.7 | Low | 59.7 | Low | 49 Ų | 49 | 67.4 Ų | 67.4 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | trans | -73.5 | 114.1 | 175.4 | 27.6 | -31.1 | 0 | 0 | 0 | 111 | W320 | P220-W320 HydrophobicContact CB-CD2 4.17Å; P220-W320 HydrophobicContact CB-CE3 3.66Å; P220-W320 HydrophobicContact CB-CZ3 4Å; P220-W320 HydrophobicContact CG-CD2 4.41Å; P220-W320 HydrophobicContact CG-CE3 4.04Å; P220-W320 HydrophobicContact CG-CH2 4.33Å; P220-W320 HydrophobicContact CG-CZ3 3.98Å | ||
| 221 | L | 66.5 | Low | 58.4 | Low | 19 Ų | 19 | 71.6 Ų | 71.6 | 10% | 0.099 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -78.8 | -23.9 | 171.6 | -66.6 | 175.5 | 0 | 0 | 0 | 112.3 | V218 G219 N237 I238 F241 V324 | V218-L221 HydrophobicContact CG1-CD1 4.15Å; V218-L221 HydrophobicContact CG1-CD2 4.4Å; V218-L221 HydrophobicContact CG1-CG 4.1Å; G219-L221 PolarHBondContact O-N 2.88Å; L221-N237 HydrophobicContact CB-CB 4.49Å; L221-N237 WeakPolarHBondContact O-CB 3.4Å; L221-N237 PolarHBondContact O-ND2 3.22Å; L221-I238 HydrophobicContact CD1-CG1 4.19Å; L221-F241 HydrophobicContact CD1-CB 4.3Å; L221-F241 HydrophobicContact CD1-CD1 4.33Å; L221-F241 HydrophobicContact CD1-CG 4.31Å; L221-F241 HydrophobicContact CD2-CB 4.01Å; L221-V324 HydrophobicContact CD1-CG2 3.46Å; L221-V324 VanDerWaalsContact CD1-CG2 3.46Å |
| 222 | F | 60.7 | Low | 57.1 | Low | 64 Ų | 64 | 75 Ų | 75 | 28% | 0.281 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -114.1 | 102.2 | -178.5 | -64 | -112.8 | 0 | 0 | 0 | 108.5 | P234 I238 D321 E323 | F222-P234 HydrophobicContact CD1-CB 3.41Å; F222-P234 VanDerWaalsContact CD1-CB 3.41Å; F222-P234 HydrophobicContact CE1-CB 3.18Å; F222-P234 HydrophobicContact CE1-CG 4.39Å; F222-P234 HydrophobicContact CZ-CB 4.23Å; F222-I238 HydrophobicContact CE2-CD1 3.61Å; F222-I238 HydrophobicContact CE2-CG1 3.92Å; F222-I238 HydrophobicContact CZ-CD1 3.37Å; F222-I238 HydrophobicContact CZ-CG1 4.09Å; F222-D321 HydrophobicContact CD2-CB 3.97Å; F222-D321 WeakPolarHBondContact CD2-OD2 3.08Å; F222-D321 HydrophobicContact CE2-CB 4.16Å; F222-D321 VanDerWaalsContact CE2-OD2 3.26Å; F222-D321 WeakPolarHBondContact CE2-OD2 3.07Å; F222-D321 VanDerWaalsContact CG-OD2 3.26Å; F222-D321 WeakPolarHBondContact CG-OD2 3.09Å; F222-E323 HydrophobicContact CE2-CB 4.18Å; F222-E323 HydrophobicContact CE2-CG 4.44Å; F222-E323 HydrophobicContact CZ-CB 4.16Å; F222-E323 HydrophobicContact CZ-CG 4.05Å |
| 223 | L | 48.8 | Very low | 55.8 | Low | 132 Ų | 132 | 80.9 Ų | 80.9 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | trans | -77 | 123.3 | 167.3 | -101.1 | 105 | 0 | 0 | 0 | 108.5 | T225 | L223-T225 PolarHBondContact O-N 2.95Š| ||
| 224 | N | 43.5 | Very low | 54.7 | Low | 137 Ų | 137 | 83.1 Ų | 83.1 | 73% | 0.733 | 46% | 0.462 | S | S | * | . | trans | -67.1 | 73.4 | 164.5 | -81.3 | -17.3 | 0 | 0 | 0 | 109.5 | L226 | N224-L226 PolarHBondContact O-N 3.05Å; N224-L226 VanDerWaalsContact O-N 3.12Å | ||
| 225 | T | 35 | Very low | 53.8 | Low | 108 Ų | 108 | 90.3 Ų | 90.3 | 66% | 0.663 | 49% | 0.494 | S | S | * | . | trans | -73.4 | 101.8 | 162.2 | 36.4 | 0 | 0 | 0 | 0 | 107.8 | L223 N227 | L223-T225 PolarHBondContact O-N 2.95Å; T225-N227 PolarHBondContact O-N 3.36Å | ||
| 226 | L | 33.7 | Very low | 53.1 | Low | 166 Ų | 166 | 95.3 Ų | 95.3 | 87% | 0.869 | 52% | 0.517 | S | S | * | . | trans | -60.7 | 71.9 | 162.6 | -76.6 | 158.8 | 0 | 0 | 0 | 109.5 | N224 | N224-L226 PolarHBondContact O-N 3.05Å; N224-L226 VanDerWaalsContact O-N 3.12Å | ||
| 227 | N | 37.5 | Very low | 52.9 | Low | 139 Ų | 139 | 97.6 Ų | 97.6 | 74% | 0.743 | 53% | 0.53 | S | S | * | . | trans | -142.8 | 86.7 | 159.9 | -82.7 | -25.2 | 0 | 0 | 0 | 104.5 | T225 D229 | T225-N227 PolarHBondContact O-N 3.36Å; N227-D229 PolarHBondContact O-N 2.81Å | ||
| 228 | S | 32.9 | Very low | 52.8 | Low | 108 Ų | 108 | 94.5 Ų | 94.5 | 76% | 0.755 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 109.7 | 165.3 | 49.4 | 0 | 0 | 0 | 0 | 107.3 | ||
| 229 | D | 35.5 | Very low | 52.9 | Low | 152 Ų | 152 | 95.1 Ų | 95.1 | 81% | 0.813 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 170.3 | 6.7 | 146.1 | -81.6 | -11.6 | 0 | 0 | 0 | 114.8 | N227 | N227-D229 PolarHBondContact O-N 2.81Š|
| 230 | T | 35 | Very low | 53.4 | Low | 104 Ų | 104 | 99.2 Ų | 99.2 | 64% | 0.638 | 54% | 0.536 | S | S | * | . | trans | -132.9 | 88.8 | 172.3 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | S232 | T230-S232 VanDerWaalsContact C-N 3.3Å; T230-S232 PolarHBondContact O-N 2.84Å | ||
| 231 | V | 37 | Very low | 54.1 | Low | 150 Ų | 150 | 97.4 Ų | 97.4 | 91% | 0.909 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 38.4 | -171.2 | -172.8 | 0 | 0 | 0 | 0 | 114 | ||
| 232 | S | 39.3 | Very low | 54.9 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 0.5 | 179.4 | 65.2 | 0 | 0 | 0 | 0 | 118.1 | T230 P234 | T230-S232 VanDerWaalsContact C-N 3.3Å; T230-S232 PolarHBondContact O-N 2.84Å; S232-P234 VanDerWaalsContact C-CD 3.43Å |
| 233 | Y | 46.3 | Very low | 55.9 | Low | 149 Ų | 149 | 96 Ų | 96 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | trans | -82.1 | -16.2 | -177.4 | -74 | -78.8 | 0 | 0 | 0 | 119.6 | K235 | Y233-K235 PolarHBondContact O-N 3.17Š| ||
| 234 | P | 55.6 | Low | 57.5 | Low | 59 Ų | 59 | 97.3 Ų | 97.3 | 38% | 0.383 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -31.9 | -173 | 16.3 | -23.7 | 0 | 0 | 0 | 115.6 | F222 S232 Q236 | F222-P234 HydrophobicContact CD1-CB 3.41Å; F222-P234 VanDerWaalsContact CD1-CB 3.41Å; F222-P234 HydrophobicContact CE1-CB 3.18Å; F222-P234 HydrophobicContact CE1-CG 4.39Å; F222-P234 HydrophobicContact CZ-CB 4.23Å; S232-P234 VanDerWaalsContact C-CD 3.43Å; P234-Q236 VanDerWaalsContact C-N 3.3Å; P234-Q236 PolarHBondContact O-N 3.13Å |
| 235 | K | 63.6 | Low | 59.4 | Low | 154 Ų | 154 | 90.8 Ų | 90.8 | 67% | 0.67 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.3 | -27.6 | -176.5 | -73.1 | -174.1 | 177.2 | -177.7 | 0 | 113 | Y233 I238 I239 | Y233-K235 PolarHBondContact O-N 3.17Å; K235-I238 PolarHBondContact O-N 2.69Å; K235-I239 VanDerWaalsContact O-CG1 3.26Å; K235-I239 WeakPolarHBondContact O-CG1 3.46Å; K235-I239 PolarHBondContact O-N 3.25Å; K235-I239 VanDerWaalsContact O-N 3.1Å |
| 236 | Q | 69.5 | Low | 61.5 | Low | 107 Ų | 107 | 86 Ų | 86 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -72.3 | -35.8 | -172.3 | -141.9 | 168.9 | 8.3 | 0 | 0 | 112.2 | P234 I239 Q240 | P234-Q236 VanDerWaalsContact C-N 3.3Å; P234-Q236 PolarHBondContact O-N 3.13Å; Q236-I239 PolarHBondContact O-N 3.26Å; Q236-Q240 WeakPolarHBondContact O-CG 3.45Å; Q236-Q240 PolarHBondContact O-N 3.16Å |
| 237 | N | 76.2 | Confident | 63.6 | Low | 65 Ų | 65 | 83.4 Ų | 83.4 | 35% | 0.348 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68 | -37.5 | 177 | -68.2 | -11.8 | 0 | 0 | 0 | 112 | L221 Q240 F241 | L221-N237 HydrophobicContact CB-CB 4.49Å; L221-N237 WeakPolarHBondContact O-CB 3.4Å; L221-N237 PolarHBondContact O-ND2 3.22Å; N237-Q240 PolarHBondContact O-N 3.29Å; N237-F241 WeakPolarHBondContact O-CB 3.48Å; N237-F241 PolarHBondContact O-N 3.1Å |
| 238 | I | 79.5 | Confident | 65.5 | Low | 11 Ų | 11 | 79.7 Ų | 79.7 | 6% | 0.056 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 173.1 | -66.2 | 172.9 | 0 | 0 | 0 | 110.4 | L221 F222 K235 Q240 F241 V242 L279 E323 V327 | L221-I238 HydrophobicContact CD1-CG1 4.19Å; F222-I238 HydrophobicContact CE2-CD1 3.61Å; F222-I238 HydrophobicContact CE2-CG1 3.92Å; F222-I238 HydrophobicContact CZ-CD1 3.37Å; F222-I238 HydrophobicContact CZ-CG1 4.09Å; K235-I238 PolarHBondContact O-N 2.69Å; I238-Q240 VanDerWaalsContact C-N 3.31Å; I238-Q240 PolarHBondContact O-N 2.89Å; I238-F241 WeakPolarHBondContact O-CB 3.44Å; I238-F241 PolarHBondContact O-N 3.17Å; I238-F241 VanDerWaalsContact O-N 3.11Å; I238-V242 HydrophobicContact CG2-CG2 4.27Å; I238-V242 WeakPolarHBondContact O-CG2 3.32Å; I238-V242 PolarHBondContact O-N 3.31Å; I238-L279 HydrophobicContact CG2-CD1 3.61Å; I238-L279 HydrophobicContact CG2-CD2 4.46Å; I238-E323 HydrophobicContact CD1-CB 4.09Å; I238-V327 HydrophobicContact CD1-CG2 4.49Å; I238-V327 HydrophobicContact CG2-CB 4.42Å; I238-V327 HydrophobicContact CG2-CG1 3.89Å; I238-V327 HydrophobicContact CG2-CG2 3.98Å |
| 239 | I | 77.7 | Confident | 67.6 | Low | 30 Ų | 30 | 74.6 Ų | 74.6 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 178.6 | -67.7 | 165.5 | 0 | 0 | 0 | 110.2 | K235 Q236 F241 V242 D243 L279 | K235-I239 VanDerWaalsContact O-CG1 3.26Å; K235-I239 WeakPolarHBondContact O-CG1 3.46Å; K235-I239 PolarHBondContact O-N 3.25Å; K235-I239 VanDerWaalsContact O-N 3.1Å; Q236-I239 PolarHBondContact O-N 3.26Å; I239-F241 VanDerWaalsContact C-N 3.31Å; I239-F241 PolarHBondContact O-N 2.67Å; I239-V242 PolarHBondContact O-N 2.91Å; I239-D243 WeakPolarHBondContact O-CB 3.28Å; I239-D243 PolarHBondContact O-N 3.18Å; I239-L279 HydrophobicContact CD1-CB 4.35Å; I239-L279 HydrophobicContact CG1-CB 3.98Å; I239-L279 HydrophobicContact CG1-CD1 3.83Å |
| 240 | Q | 79.5 | Confident | 69.5 | Low | 89 Ų | 89 | 70 Ų | 70 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 176 | -73.3 | -177.9 | 15.9 | 0 | 0 | 112.9 | Q236 N237 I238 R244 | Q236-Q240 WeakPolarHBondContact O-CG 3.45Å; Q236-Q240 PolarHBondContact O-N 3.16Å; N237-Q240 PolarHBondContact O-N 3.29Å; I238-Q240 VanDerWaalsContact C-N 3.31Å; I238-Q240 PolarHBondContact O-N 2.89Å; Q240-R244 WeakPolarHBondContact O-CB 3.2Å; Q240-R244 WeakPolarHBondContact O-CG 3.21Å; Q240-R244 PolarHBondContact O-N 3.48Å |
| 241 | F | 83 | Confident | 71 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 175.3 | 163.2 | -105.6 | 0 | 0 | 0 | 111.7 | M216 V218 L221 N237 I238 I239 D243 R244 L245 L316 V324 L328 | M216-F241 HydrophobicContact SD-CD2 4.08Å; M216-F241 HydrophobicContact SD-CE2 3.84Å; V218-F241 HydrophobicContact CG1-CD2 4.35Å; V218-F241 HydrophobicContact CG1-CE2 4.21Å; V218-F241 HydrophobicContact CG2-CD2 4.49Å; V218-F241 HydrophobicContact CG2-CE2 3.71Å; V218-F241 HydrophobicContact CG2-CZ 4.17Å; L221-F241 HydrophobicContact CD1-CB 4.3Å; L221-F241 HydrophobicContact CD1-CD1 4.33Å; L221-F241 HydrophobicContact CD1-CG 4.31Å; L221-F241 HydrophobicContact CD2-CB 4.01Å; N237-F241 WeakPolarHBondContact O-CB 3.48Å; N237-F241 PolarHBondContact O-N 3.1Å; I238-F241 WeakPolarHBondContact O-CB 3.44Å; I238-F241 PolarHBondContact O-N 3.17Å; I238-F241 VanDerWaalsContact O-N 3.11Å; I239-F241 VanDerWaalsContact C-N 3.31Å; I239-F241 PolarHBondContact O-N 2.67Å; F241-D243 VanDerWaalsContact C-N 3.33Å; F241-D243 PolarHBondContact O-N 3.31Å; F241-R244 PolarHBondContact O-N 3.36Å; F241-L245 HydrophobicContact CZ-CD1 4.44Å; F241-L245 PolarHBondContact O-N 3.19Å; F241-L316 HydrophobicContact CE2-CD2 4.23Å; F241-L316 HydrophobicContact CZ-CD1 4.49Å; F241-L316 HydrophobicContact CZ-CD2 3.89Å; F241-V324 HydrophobicContact CE1-CG1 4.01Å; F241-V324 HydrophobicContact CZ-CG1 4.26Å; F241-L328 HydrophobicContact CE1-CD1 3.97Å; F241-L328 HydrophobicContact CE1-CD2 4.36Å; F241-L328 HydrophobicContact CE1-CG 4.43Å; F241-L328 HydrophobicContact CZ-CD1 4.17Å |
| 242 | V | 83.2 | Confident | 72.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | I238 I239 L245 A246 L279 L283 L286 V327 | I238-V242 HydrophobicContact CG2-CG2 4.27Å; I238-V242 WeakPolarHBondContact O-CG2 3.32Å; I238-V242 PolarHBondContact O-N 3.31Å; I239-V242 PolarHBondContact O-N 2.91Å; V242-L245 PolarHBondContact O-N 3.5Å; V242-A246 WeakPolarHBondContact O-CB 3.29Å; V242-A246 PolarHBondContact O-N 3.35Å; V242-L279 HydrophobicContact CG2-CD1 4.29Å; V242-L283 HydrophobicContact CG1-CD2 4.17Å; V242-L283 HydrophobicContact CG1-CG 4.4Å; V242-L283 HydrophobicContact CG2-CD2 4.32Å; V242-L286 HydrophobicContact CG1-CB 4.27Å; V242-L286 HydrophobicContact CG1-CD2 3.94Å; V242-V327 HydrophobicContact CG2-CG1 3.93Å |
| 243 | D | 82.1 | Confident | 72.7 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.6 | -74.8 | -21.1 | 0 | 0 | 0 | 112.1 | I239 F241 L245 A246 H247 S282 | I239-D243 WeakPolarHBondContact O-CB 3.28Å; I239-D243 PolarHBondContact O-N 3.18Å; F241-D243 VanDerWaalsContact C-N 3.33Å; F241-D243 PolarHBondContact O-N 3.31Å; D243-L245 VanDerWaalsContact C-N 3.33Å; D243-L245 PolarHBondContact O-N 3.42Å; D243-A246 PolarHBondContact O-N 3.23Å; D243-H247 WeakPolarHBondContact O-CB 3.47Å; D243-H247 PolarHBondContact O-N 3.39Å; D243-S282 WeakPolarHBondContact OD1-CB 3.39Å; D243-S282 PolarHBondContact OD1-OG 2.69Å |
| 244 | R | 81.3 | Confident | 72.4 | Confident | 159 Ų | 159 | 61.9 Ų | 61.9 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 173 | -76.3 | 175.7 | -162 | -177.9 | 8.3 | 111.2 | M216 Q240 F241 H247 R248 | M216-R244 HydrophobicContact CE-CB 4.36Å; M216-R244 HydrophobicContact SD-CB 4.46Å; Q240-R244 WeakPolarHBondContact O-CB 3.2Å; Q240-R244 WeakPolarHBondContact O-CG 3.21Å; Q240-R244 PolarHBondContact O-N 3.48Å; F241-R244 PolarHBondContact O-N 3.36Å; R244-H247 PolarHBondContact O-N 3.04Å; R244-R248 WeakPolarHBondContact O-CG 3.37Å; R244-R248 PolarHBondContact O-N 2.88Å; R244-R248 VanDerWaalsContact O-N 3.07Å |
| 245 | L | 83.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 176.8 | -162.4 | 102.1 | 0 | 0 | 0 | 111 | M216 F241 V242 D243 H247 R248 V249 L286 I314 L316 | M216-L245 HydrophobicContact CE-CB 4.29Å; M216-L245 HydrophobicContact CE-CD1 4.09Å; M216-L245 HydrophobicContact SD-CD1 4.11Å; F241-L245 HydrophobicContact CZ-CD1 4.44Å; F241-L245 PolarHBondContact O-N 3.19Å; V242-L245 PolarHBondContact O-N 3.5Å; D243-L245 VanDerWaalsContact C-N 3.33Å; D243-L245 PolarHBondContact O-N 3.42Å; L245-H247 VanDerWaalsContact C-N 3.3Å; L245-H247 PolarHBondContact O-N 3.08Å; L245-R248 PolarHBondContact O-N 2.79Å; L245-V249 WeakPolarHBondContact O-CG2 3.39Å; L245-V249 PolarHBondContact O-N 3.5Å; L245-L286 HydrophobicContact CD2-CD1 3.69Å; L245-L286 HydrophobicContact CD2-CD2 3.4Å; L245-L286 VanDerWaalsContact CD2-CD2 3.4Å; L245-L286 HydrophobicContact CD2-CG 4.16Å; L245-L286 HydrophobicContact CG-CD1 4.43Å; L245-I314 HydrophobicContact CD1-CG2 3.99Å; L245-L316 HydrophobicContact CD1-CD2 4.01Å |
| 246 | A | 79.8 | Confident | 69.8 | Low | 7 Ų | 7 | 68.3 Ų | 68.3 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V242 D243 V249 N250 L286 | V242-A246 WeakPolarHBondContact O-CB 3.29Å; V242-A246 PolarHBondContact O-N 3.35Å; D243-A246 PolarHBondContact O-N 3.23Å; A246-V249 PolarHBondContact O-N 2.71Å; A246-N250 PolarHBondContact O-N 3.44Å; A246-N250 VanDerWaalsContact O-N 3.1Å; A246-N250 PolarHBondContact O-ND2 2.91Å; A246-L286 HydrophobicContact CB-CB 4.02Å; A246-L286 HydrophobicContact CB-CD1 4.06Å |
| 247 | H | 77.8 | Confident | 67.8 | Low | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.6 | -168.3 | 52.6 | 0 | 0 | 0 | 111.6 | D243 R244 L245 N250 Q251 | D243-H247 WeakPolarHBondContact O-CB 3.47Å; D243-H247 PolarHBondContact O-N 3.39Å; R244-H247 PolarHBondContact O-N 3.04Å; L245-H247 VanDerWaalsContact C-N 3.3Å; L245-H247 PolarHBondContact O-N 3.08Å; H247-N250 PolarHBondContact O-N 3.14Å; H247-Q251 PolarHBondContact CD2-NE2 2.99Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.28Å; H247-Q251 PolarHBondContact NE2-NE2 3.25Å; H247-Q251 WeakPolarHBondContact O-CG 3.4Å; H247-Q251 PolarHBondContact O-N 2.75Å |
| 248 | R | 76.5 | Confident | 65.4 | Low | 60 Ų | 60 | 77.6 Ų | 77.6 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.6 | -74.5 | -151.7 | 178.5 | -142.8 | -20.9 | 113.5 | E111 I214 W215 M216 R244 L245 N250 Q251 L252 | E111-R248 IonicContact OE1-CZ 3.73Å; E111-R248 IonicContact OE1-NH2 2.82Å; E111-R248 PolarHBondContact OE1-NH2 2.8Å; E111-R248 IonicContact OE2-CZ 3.41Å; E111-R248 IonicContact OE2-NH1 3.5Å; E111-R248 PolarHBondContact OE2-NH1 2.95Å; E111-R248 IonicContact OE2-NH2 2.65Å; E111-R248 PolarHBondContact OE2-NH2 2.71Å; I214-R248 HydrophobicContact CG2-CB 4.35Å; W215-R248 PolarHBondContact O-NH1 3.14Å; M216-R248 HydrophobicContact CE-CB 4.42Å; M216-R248 HydrophobicContact CE-CG 3.94Å; R244-R248 WeakPolarHBondContact O-CG 3.37Å; R244-R248 PolarHBondContact O-N 2.88Å; R244-R248 VanDerWaalsContact O-N 3.07Å; L245-R248 PolarHBondContact O-N 2.79Å; R248-N250 PolarHBondContact O-N 3.34Å; R248-Q251 PolarHBondContact O-N 2.83Å; R248-L252 PolarHBondContact O-N 2.83Å |
| 249 | V | 76.8 | Confident | 63 | Low | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.006 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 175.2 | 173 | 0 | 0 | 0 | 0 | 110.5 | I214 L245 A246 L286 L290 K293 L312 | I214-V249 HydrophobicContact CD1-CB 4.3Å; I214-V249 HydrophobicContact CD1-CG2 3.56Å; L245-V249 WeakPolarHBondContact O-CG2 3.39Å; L245-V249 PolarHBondContact O-N 3.5Å; A246-V249 PolarHBondContact O-N 2.71Å; V249-L286 HydrophobicContact CG2-CD1 4.03Å; V249-L290 HydrophobicContact CG1-CD2 4.04Å; V249-L290 HydrophobicContact CG1-CG 4.49Å; V249-L290 HydrophobicContact CG2-CD2 3.85Å; V249-K293 HydrophobicContact CG1-CG 4.03Å; V249-K293 VanDerWaalsContact O-CE 3.25Å; V249-K293 WeakPolarHBondContact O-CE 3.48Å; V249-L312 HydrophobicContact CG2-CD2 4.44Å |
| 250 | N | 75.2 | Confident | 60.6 | Low | 57 Ų | 57 | 89 Ų | 89 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.3 | -42.5 | 179.2 | -74.5 | -45.1 | 0 | 0 | 0 | 113.2 | A246 H247 R248 L252 S289 K293 | A246-N250 PolarHBondContact O-N 3.44Å; A246-N250 VanDerWaalsContact O-N 3.1Å; A246-N250 PolarHBondContact O-ND2 2.91Å; H247-N250 PolarHBondContact O-N 3.14Å; R248-N250 PolarHBondContact O-N 3.34Å; N250-L252 PolarHBondContact O-N 3.43Å; N250-L252 VanDerWaalsContact O-N 3.12Å; N250-S289 PolarHBondContact ND2-OG 3.26Å; N250-S289 VanDerWaalsContact ND2-OG 3.11Å; N250-S289 WeakPolarHBondContact OD1-CB 3.43Å; N250-S289 PolarHBondContact OD1-OG 2.94Å; N250-K293 PolarHBondContact O-NZ 3.15Å; N250-K293 VanDerWaalsContact O-NZ 3.16Å |
| 251 | Q | 67.7 | Low | 58.1 | Low | 112 Ų | 112 | 90.8 Ų | 90.8 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.3 | -27.1 | 177.6 | -73.6 | -178.9 | -0.1 | 0 | 0 | 113.5 | H247 R248 G253 | H247-Q251 PolarHBondContact CD2-NE2 2.99Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.28Å; H247-Q251 PolarHBondContact NE2-NE2 3.25Å; H247-Q251 WeakPolarHBondContact O-CG 3.4Å; H247-Q251 PolarHBondContact O-N 2.75Å; R248-Q251 PolarHBondContact O-N 2.83Å; Q251-G253 PolarHBondContact O-N 3.29Å |
| 252 | L | 62 | Low | 55.4 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 31% | 0.314 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 41.5 | -177.2 | -121.3 | 139.2 | 0 | 0 | 0 | 114.1 | I214 R248 N250 K293 | I214-L252 HydrophobicContact CD1-CD1 3.71Å; I214-L252 HydrophobicContact CG1-CD1 3.37Å; R248-L252 PolarHBondContact O-N 2.83Å; N250-L252 PolarHBondContact O-N 3.43Å; N250-L252 VanDerWaalsContact O-N 3.12Å; L252-K293 VanDerWaalsContact C-NZ 3.29Å; L252-K293 PolarHBondContact O-NZ 3.1Å |
| 253 | G | 49.2 | Very low | 52.7 | Low | 24 Ų | 24 | 106.6 Ų | 106.6 | 25% | 0.247 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 176.3 | -2.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q251 H255 F256 K293 | Q251-G253 PolarHBondContact O-N 3.29Å; G253-H255 PolarHBondContact O-N 2.78Å; G253-F256 PolarHBondContact O-N 3.05Å; G253-K293 VanDerWaalsContact CA-NZ 3.31Å; G253-K293 VanDerWaalsContact N-NZ 3.2Å |
| 254 | D | 39.9 | Very low | 50.1 | Low | 127 Ų | 127 | 111.5 Ų | 111.5 | 68% | 0.679 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -74.2 | -11.4 | 176.6 | -71.2 | -20.1 | 0 | 0 | 0 | 113 | F256 | D254-F256 PolarHBondContact O-N 2.56Š|
| 255 | H | 34.9 | Very low | 47.4 | Very low | 188 Ų | 188 | 112.8 Ų | 112.8 | 87% | 0.87 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -75.7 | 1.8 | 170.1 | -76.4 | -48.5 | 0 | 0 | 0 | 115 | G253 | G253-H255 PolarHBondContact O-N 2.78Š|
| 256 | F | 29.9 | Very low | 44.6 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -108.6 | -1.3 | -175.6 | -85.8 | -81.1 | 0 | 0 | 0 | 116.2 | G253 D254 | G253-F256 PolarHBondContact O-N 3.05Å; D254-F256 PolarHBondContact O-N 2.56Å |
| 257 | R | 27.8 | Very low | 41.9 | Very low | 227 Ų | 227 | 125.4 Ų | 125.4 | 86% | 0.857 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | -10.7 | -177.1 | -85.6 | -169.3 | 176.2 | -173 | -0.2 | 119.4 | V259 | R257-V259 PolarHBondContact O-N 3.5Š|
| 258 | D | 26.2 | Very low | 39.4 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 80.3 | -178.3 | -68.5 | -20.4 | 0 | 0 | 0 | 112.6 | ||
| 259 | V | 28 | Very low | 37.1 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -9.4 | 156.5 | 174.9 | 0 | 0 | 0 | 0 | 112 | R257 | R257-V259 PolarHBondContact O-N 3.5Š|
| 260 | N | 28.4 | Very low | 34.7 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -130.3 | 70.7 | 179.3 | -77.6 | -17.5 | 0 | 0 | 0 | 112.3 | ||
| 261 | T | 27.6 | Very low | 32.4 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -170.4 | 104.8 | 138.8 | 30.4 | 0 | 0 | 0 | 0 | 109.3 | Q263 | T261-Q263 PolarHBondContact O-N 3.43Š| ||
| 262 | N | 25.8 | Very low | 30.8 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -64.4 | 112.6 | 163.8 | -77.2 | -29.9 | 0 | 0 | 0 | 108.9 | ||||
| 263 | Q | 26.4 | Very low | 29.3 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -166.8 | 111.9 | 146.6 | -106.5 | 167 | 34.6 | 0 | 0 | 111.4 | T261 | T261-Q263 PolarHBondContact O-N 3.43Š| ||
| 264 | N | 27 | Very low | 28.6 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | 41.6 | 86.1 | 149.7 | -58.6 | -13.2 | 0 | 0 | 0 | 118.5 | S266 | N264-S266 PolarHBondContact O-N 3.21Š| ||
| 265 | L | 24.9 | Very low | 28.7 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 97% | 0.974 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 95.8 | 162.4 | -74.4 | 161.5 | 0 | 0 | 0 | 110.1 | ||||
| 266 | S | 24.2 | Very low | 29.1 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -144.4 | 79.2 | 155.9 | 64.8 | 0 | 0 | 0 | 0 | 108.7 | N264 | N264-S266 PolarHBondContact O-N 3.21Š| ||
| 267 | D | 24.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -143.8 | 108.7 | 156.6 | -92 | -30.5 | 0 | 0 | 0 | 108.6 | ||||
| 268 | S | 25.4 | Very low | 32.7 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -72.3 | 124.6 | 177.7 | 48.6 | 0 | 0 | 0 | 0 | 111 | H270 | S268-H270 PolarHBondContact O-N 3.27Å; S268-H270 VanDerWaalsContact O-N 3.09Å | ||
| 269 | L | 27.1 | Very low | 35.1 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | -18.8 | 94.6 | 164.5 | -71.2 | 141.3 | 0 | 0 | 0 | 115.8 | ||||
| 270 | H | 25.6 | Very low | 37.3 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -98.2 | 120 | 156.8 | -86.7 | -69 | 0 | 0 | 0 | 109.3 | S268 | S268-H270 PolarHBondContact O-N 3.27Å; S268-H270 VanDerWaalsContact O-N 3.09Å | ||
| 271 | F | 28.7 | Very low | 39.7 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | trans | -57.4 | 127.8 | 168 | -78.2 | -87.6 | 0 | 0 | 0 | 109 | T273 | F271-T273 PolarHBondContact O-N 2.88Š| ||
| 272 | P | 33.3 | Very low | 42.1 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 69% | 0.685 | S | S | * | * | trans | -65.6 | 110.6 | -178.3 | 25.4 | -30.5 | 0 | 0 | 0 | 109.1 | S274 | P272-S274 PolarHBondContact O-N 3.07Š| ||
| 273 | T | 31.4 | Very low | 44.7 | Very low | 124 Ų | 124 | 118 Ų | 118 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | trans | -69.4 | 117.3 | 177.5 | 35.8 | 0 | 0 | 0 | 0 | 110.8 | F271 | F271-T273 PolarHBondContact O-N 2.88Š| ||
| 274 | S | 33.5 | Very low | 47.1 | Very low | 106 Ų | 106 | 113.1 Ų | 113.1 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | trans | 45.6 | 83.2 | 145.4 | 64.5 | 0 | 0 | 0 | 0 | 118.4 | P272 | P272-S274 PolarHBondContact O-N 3.07Š| ||
| 275 | H | 42 | Very low | 49.5 | Very low | 172 Ų | 172 | 111.7 Ų | 111.7 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | trans | -118.7 | 133.2 | 140.2 | -71.4 | -56.5 | 0 | 0 | 0 | 107.5 | L277 | H275-L277 PolarHBondContact O-N 3.21Š| ||
| 276 | S | 42.5 | Very low | 52.2 | Low | 125 Ų | 125 | 102.8 Ų | 102.8 | 87% | 0.874 | 56% | 0.564 | S | S | * | * | trans | -60.7 | 91.8 | -171.7 | 59 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 277 | L | 57.5 | Low | 54.8 | Low | 61 Ų | 61 | 102 Ų | 102 | 32% | 0.319 | 55% | 0.545 | S | S | . | . | trans | -79.6 | 130.1 | 177.2 | -76.8 | 150.9 | 0 | 0 | 0 | 108.9 | H275 D281 R285 | H275-L277 PolarHBondContact O-N 3.21Å; L277-D281 HydrophobicContact CD2-CB 3.92Å; L277-R285 VanDerWaalsContact CD2-CZ 3.48Å | ||
| 278 | T | 75.7 | Confident | 57.2 | Low | 71 Ų | 71 | 101.5 Ų | 101.5 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | trans | -75.3 | 156.5 | 173.8 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | D280 D281 S282 | T278-D280 PolarHBondContact O-N 3.23Å; T278-D281 PolarHBondContact N-OD2 3.39Å; T278-D281 VanDerWaalsContact N-OD2 3.16Å; T278-D281 WeakPolarHBondContact O-CB 3.49Å; T278-D281 PolarHBondContact O-N 3.36Å; T278-D281 VanDerWaalsContact O-N 3.08Å; T278-D281 PolarHBondContact OG1-N 3Å; T278-D281 PolarHBondContact OG1-OD2 3.12Å; T278-S282 PolarHBondContact O-N 3.24Å | ||
| 279 | L | 77.3 | Confident | 59.5 | Low | 39 Ų | 39 | 97.3 Ų | 97.3 | 20% | 0.204 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -56.2 | -36.9 | 176.4 | 178.1 | 65.5 | 0 | 0 | 0 | 111.9 | I238 I239 V242 D281 S282 L283 V327 | I238-L279 HydrophobicContact CG2-CD1 3.61Å; I238-L279 HydrophobicContact CG2-CD2 4.46Å; I239-L279 HydrophobicContact CD1-CB 4.35Å; I239-L279 HydrophobicContact CG1-CB 3.98Å; I239-L279 HydrophobicContact CG1-CD1 3.83Å; V242-L279 HydrophobicContact CG2-CD1 4.29Å; L279-D281 VanDerWaalsContact C-N 3.33Å; L279-D281 PolarHBondContact O-N 2.91Å; L279-S282 PolarHBondContact O-N 3.26Å; L279-L283 HydrophobicContact CG-CD1 4.08Å; L279-L283 WeakPolarHBondContact O-CB 3.05Å; L279-L283 WeakPolarHBondContact O-CG 2.97Å; L279-L283 PolarHBondContact O-N 3.16Å; L279-V327 HydrophobicContact CD1-CG1 4.28Å; L279-V327 HydrophobicContact CD2-CG2 4.27Å |
| 280 | D | 75.3 | Confident | 61.8 | Low | 118 Ų | 118 | 89 Ų | 89 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.3 | -36.6 | 178.3 | -63.2 | -33.1 | 0 | 0 | 0 | 111.6 | T278 L283 E284 | T278-D280 PolarHBondContact O-N 3.23Å; D280-L283 PolarHBondContact O-N 2.98Å; D280-E284 VanDerWaalsContact O-CB 3.24Å; D280-E284 WeakPolarHBondContact O-CB 3.39Å; D280-E284 PolarHBondContact O-N 2.75Å |
| 281 | D | 77.3 | Confident | 63.8 | Low | 75 Ų | 75 | 84 Ų | 84 | 40% | 0.401 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 175.4 | -65.3 | -45.3 | 0 | 0 | 0 | 111.8 | L277 T278 L279 E284 R285 | L277-D281 HydrophobicContact CD2-CB 3.92Å; T278-D281 PolarHBondContact N-OD2 3.39Å; T278-D281 VanDerWaalsContact N-OD2 3.16Å; T278-D281 WeakPolarHBondContact O-CB 3.49Å; T278-D281 PolarHBondContact O-N 3.36Å; T278-D281 VanDerWaalsContact O-N 3.08Å; T278-D281 PolarHBondContact OG1-N 3Å; T278-D281 PolarHBondContact OG1-OD2 3.12Å; L279-D281 VanDerWaalsContact C-N 3.33Å; L279-D281 PolarHBondContact O-N 2.91Å; D281-E284 PolarHBondContact O-N 3.45Å; D281-R285 WeakPolarHBondContact O-CB 3.19Å; D281-R285 VanDerWaalsContact O-CG 3.23Å; D281-R285 WeakPolarHBondContact O-CG 3.26Å; D281-R285 PolarHBondContact O-N 2.81Å |
| 282 | S | 78.5 | Confident | 65.5 | Low | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177.1 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | D243 T278 L279 R285 L286 | D243-S282 WeakPolarHBondContact OD1-CB 3.39Å; D243-S282 PolarHBondContact OD1-OG 2.69Å; T278-S282 PolarHBondContact O-N 3.24Å; L279-S282 PolarHBondContact O-N 3.26Å; S282-R285 PolarHBondContact O-N 3.11Å; S282-L286 WeakPolarHBondContact O-CB 3.14Å; S282-L286 PolarHBondContact O-N 3.49Å |
| 283 | L | 80.3 | Confident | 67 | Low | 29 Ų | 29 | 81.1 Ų | 81.1 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.6 | -80.4 | 171.5 | 0 | 0 | 0 | 112.2 | V242 L279 D280 R285 L286 R287 V327 L331 | V242-L283 HydrophobicContact CG1-CD2 4.17Å; V242-L283 HydrophobicContact CG1-CG 4.4Å; V242-L283 HydrophobicContact CG2-CD2 4.32Å; L279-L283 HydrophobicContact CG-CD1 4.08Å; L279-L283 WeakPolarHBondContact O-CB 3.05Å; L279-L283 WeakPolarHBondContact O-CG 2.97Å; L279-L283 PolarHBondContact O-N 3.16Å; D280-L283 PolarHBondContact O-N 2.98Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-L286 WeakPolarHBondContact O-CB 3.46Å; L283-L286 PolarHBondContact O-N 3.31Å; L283-R287 WeakPolarHBondContact O-CB 3.27Å; L283-R287 PolarHBondContact O-N 2.93Å; L283-V327 HydrophobicContact CD1-CG1 4.15Å; L283-V327 HydrophobicContact CD2-CG1 3.81Å; L283-V327 VanDerWaalsContact CD2-O 3.32Å; L283-V327 WeakPolarHBondContact CD2-O 3.25Å; L283-V327 HydrophobicContact CG-CG1 4.3Å; L283-L331 HydrophobicContact CD2-CD1 3.93Å; L283-L331 HydrophobicContact CD2-CD2 4.42Å; L283-L331 HydrophobicContact CD2-CG 4.34Å |
| 284 | E | 77 | Confident | 68.6 | Low | 76 Ų | 76 | 77 Ų | 77 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 179.3 | -179.8 | 56.7 | -162.9 | 0 | 0 | 111.4 | D280 D281 R287 R288 | D280-E284 VanDerWaalsContact O-CB 3.24Å; D280-E284 WeakPolarHBondContact O-CB 3.39Å; D280-E284 PolarHBondContact O-N 2.75Å; D281-E284 PolarHBondContact O-N 3.45Å; E284-R287 PolarHBondContact O-N 2.73Å; E284-R288 WeakPolarHBondContact O-CB 3.36Å; E284-R288 VanDerWaalsContact O-CG 3.26Å; E284-R288 WeakPolarHBondContact O-CG 3.47Å; E284-R288 PolarHBondContact O-N 2.47Å; E284-R288 IonicContact OE1-CZ 2.7Å; E284-R288 IonicContact OE1-NE 3.14Å; E284-R288 PolarHBondContact OE1-NE 3.3Å; E284-R288 IonicContact OE1-NH2 3.86Å; E284-R288 PolarHBondContact OE1-NH2 3.08Å; E284-R288 VanDerWaalsContact OE1-NH2 3.08Å |
| 285 | R | 77.7 | Confident | 69.4 | Low | 127 Ų | 127 | 77.4 Ų | 77.4 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 170.7 | -76.8 | 170.3 | 178.3 | -166.7 | -1.7 | 111.9 | L277 D281 S282 L283 R288 S289 | L277-R285 VanDerWaalsContact CD2-CZ 3.48Å; D281-R285 WeakPolarHBondContact O-CB 3.19Å; D281-R285 VanDerWaalsContact O-CG 3.23Å; D281-R285 WeakPolarHBondContact O-CG 3.26Å; D281-R285 PolarHBondContact O-N 2.81Å; S282-R285 PolarHBondContact O-N 3.11Å; L283-R285 VanDerWaalsContact C-N 3.34Å; R285-R288 PolarHBondContact O-N 3.29Å; R285-S289 WeakPolarHBondContact O-CB 2.97Å; R285-S289 PolarHBondContact O-N 3.34Å; R285-S289 PolarHBondContact O-OG 2.89Å |
| 286 | L | 82.1 | Confident | 69.2 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.2 | 175.3 | 57.1 | 0 | 0 | 0 | 111.1 | V242 L245 A246 V249 S282 L283 R288 S289 L290 L328 L331 | V242-L286 HydrophobicContact CG1-CB 4.27Å; V242-L286 HydrophobicContact CG1-CD2 3.94Å; L245-L286 HydrophobicContact CD2-CD1 3.69Å; L245-L286 HydrophobicContact CD2-CD2 3.4Å; L245-L286 VanDerWaalsContact CD2-CD2 3.4Å; L245-L286 HydrophobicContact CD2-CG 4.16Å; L245-L286 HydrophobicContact CG-CD1 4.43Å; A246-L286 HydrophobicContact CB-CB 4.02Å; A246-L286 HydrophobicContact CB-CD1 4.06Å; V249-L286 HydrophobicContact CG2-CD1 4.03Å; S282-L286 WeakPolarHBondContact O-CB 3.14Å; S282-L286 PolarHBondContact O-N 3.49Å; L283-L286 WeakPolarHBondContact O-CB 3.46Å; L283-L286 PolarHBondContact O-N 3.31Å; L286-R288 VanDerWaalsContact C-N 3.34Å; L286-R288 PolarHBondContact O-N 3.35Å; L286-S289 CarbonylContact O-C 3.51Å; L286-S289 WeakPolarHBondContact O-CA 3.44Å; L286-S289 WeakPolarHBondContact O-CB 3.03Å; L286-S289 PolarHBondContact O-N 3.35Å; L286-L290 HydrophobicContact CD1-CD1 4Å; L286-L290 HydrophobicContact CD1-CG 3.98Å; L286-L290 HydrophobicContact CG-CD1 3.99Å; L286-L290 HydrophobicContact CG-CG 4.41Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.14Å; L286-L328 HydrophobicContact CD2-CD2 4.25Å; L286-L331 HydrophobicContact CD2-CD1 3.38Å; L286-L331 HydrophobicContact CG-CD1 4.01Å; L286-L331 HydrophobicContact CG-CD2 4.44Å |
| 287 | R | 78.8 | Confident | 68.8 | Low | 86 Ų | 86 | 74.5 Ų | 74.5 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.8 | -49 | 176.7 | -168.1 | -174.4 | -176.5 | 106.2 | 6.9 | 111.1 | L283 E284 S289 L290 I291 N330 L331 P332 | L283-R287 WeakPolarHBondContact O-CB 3.27Å; L283-R287 PolarHBondContact O-N 2.93Å; E284-R287 PolarHBondContact O-N 2.73Å; R287-S289 VanDerWaalsContact C-N 3.32Å; R287-S289 PolarHBondContact O-N 3.34Å; R287-L290 PolarHBondContact O-N 3Å; R287-I291 HydrophobicContact CG-CD1 3.91Å; R287-I291 WeakPolarHBondContact O-CB 3.39Å; R287-I291 VanDerWaalsContact O-CG1 3.24Å; R287-I291 WeakPolarHBondContact O-CG1 3.32Å; R287-I291 PolarHBondContact O-N 2.83Å; R287-N330 PolarHBondContact NH1-O 2.94Å; R287-L331 HydrophobicContact CB-CD2 3.64Å; R287-L331 HydrophobicContact CG-CD2 4.14Å; R287-P332 HydrophobicContact CG-CG 4.46Å |
| 288 | R | 74.5 | Confident | 67.6 | Low | 159 Ų | 159 | 77.3 Ų | 77.3 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 176 | -72 | 174.6 | -168.7 | 177.2 | 6.6 | 112.1 | E284 R285 L286 R292 | E284-R288 WeakPolarHBondContact O-CB 3.36Å; E284-R288 VanDerWaalsContact O-CG 3.26Å; E284-R288 WeakPolarHBondContact O-CG 3.47Å; E284-R288 PolarHBondContact O-N 2.47Å; E284-R288 IonicContact OE1-CZ 2.7Å; E284-R288 IonicContact OE1-NE 3.14Å; E284-R288 PolarHBondContact OE1-NE 3.3Å; E284-R288 IonicContact OE1-NH2 3.86Å; E284-R288 PolarHBondContact OE1-NH2 3.08Å; E284-R288 VanDerWaalsContact OE1-NH2 3.08Å; R285-R288 PolarHBondContact O-N 3.29Å; L286-R288 VanDerWaalsContact C-N 3.34Å; L286-R288 PolarHBondContact O-N 3.35Å; R288-R292 WeakPolarHBondContact O-CB 3.35Å; R288-R292 PolarHBondContact O-N 3.31Å |
| 289 | S | 72.9 | Confident | 65.4 | Low | 11 Ų | 11 | 84.4 Ų | 84.4 | 8% | 0.077 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | N250 R285 L286 R287 R292 K293 | N250-S289 PolarHBondContact ND2-OG 3.26Å; N250-S289 VanDerWaalsContact ND2-OG 3.11Å; N250-S289 WeakPolarHBondContact OD1-CB 3.43Å; N250-S289 PolarHBondContact OD1-OG 2.94Å; R285-S289 WeakPolarHBondContact O-CB 2.97Å; R285-S289 PolarHBondContact O-N 3.34Å; R285-S289 PolarHBondContact O-OG 2.89Å; L286-S289 CarbonylContact O-C 3.51Å; L286-S289 WeakPolarHBondContact O-CA 3.44Å; L286-S289 WeakPolarHBondContact O-CB 3.03Å; L286-S289 PolarHBondContact O-N 3.35Å; R287-S289 VanDerWaalsContact C-N 3.32Å; R287-S289 PolarHBondContact O-N 3.34Å; S289-R292 PolarHBondContact O-N 3.24Å; S289-K293 WeakPolarHBondContact O-CB 3.16Å; S289-K293 VanDerWaalsContact O-CG 3.28Å; S289-K293 WeakPolarHBondContact O-CG 2.95Å; S289-K293 PolarHBondContact O-N 3.07Å |
| 290 | L | 75.8 | Confident | 63.5 | Low | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 176.5 | -70.7 | 170.6 | 0 | 0 | 0 | 111.7 | V249 L286 R287 R292 K293 Q294 L312 I314 L331 P332 | V249-L290 HydrophobicContact CG1-CD2 4.04Å; V249-L290 HydrophobicContact CG1-CG 4.49Å; V249-L290 HydrophobicContact CG2-CD2 3.85Å; L286-L290 HydrophobicContact CD1-CD1 4Å; L286-L290 HydrophobicContact CD1-CG 3.98Å; L286-L290 HydrophobicContact CG-CD1 3.99Å; L286-L290 HydrophobicContact CG-CG 4.41Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.14Å; R287-L290 PolarHBondContact O-N 3Å; L290-R292 VanDerWaalsContact C-N 3.29Å; L290-R292 PolarHBondContact O-N 2.97Å; L290-K293 PolarHBondContact O-N 2.86Å; L290-Q294 WeakPolarHBondContact O-CB 3.26Å; L290-Q294 WeakPolarHBondContact O-CG 3.28Å; L290-Q294 PolarHBondContact O-N 3.04Å; L290-L312 HydrophobicContact CD2-CD2 3.88Å; L290-I314 HydrophobicContact CD2-CD1 3.74Å; L290-L331 HydrophobicContact CD1-CB 4.13Å; L290-P332 HydrophobicContact CB-CG 4.5Å |
| 291 | I | 67.9 | Low | 61.8 | Low | 73 Ų | 73 | 82.7 Ų | 82.7 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 177.4 | -68.8 | 168.7 | 0 | 0 | 0 | 110.5 | R287 K293 Q294 Q295 P332 | R287-I291 HydrophobicContact CG-CD1 3.91Å; R287-I291 WeakPolarHBondContact O-CB 3.39Å; R287-I291 VanDerWaalsContact O-CG1 3.24Å; R287-I291 WeakPolarHBondContact O-CG1 3.32Å; R287-I291 PolarHBondContact O-N 2.83Å; I291-K293 VanDerWaalsContact C-N 3.33Å; I291-K293 PolarHBondContact O-N 3.23Å; I291-Q294 PolarHBondContact O-N 2.98Å; I291-Q295 WeakPolarHBondContact O-CG 3.47Å; I291-Q295 PolarHBondContact O-N 3.34Å; I291-P332 HydrophobicContact CD1-CG 4.32Å; I291-P332 HydrophobicContact CG1-CG 3.7Å |
| 292 | R | 64.4 | Low | 60.2 | Low | 194 Ų | 194 | 81.4 Ų | 81.4 | 73% | 0.732 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.3 | -36.7 | -179.8 | -173.7 | 178.4 | -178.4 | -174.4 | -0.7 | 112.4 | R288 S289 L290 | R288-R292 WeakPolarHBondContact O-CB 3.35Å; R288-R292 PolarHBondContact O-N 3.31Å; S289-R292 PolarHBondContact O-N 3.24Å; L290-R292 VanDerWaalsContact C-N 3.29Å; L290-R292 PolarHBondContact O-N 2.97Å |
| 293 | K | 64.7 | Low | 58.7 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -82.5 | -27.1 | -179.4 | -67.9 | -73.8 | -175.4 | 166.6 | 0 | 113.1 | V249 N250 L252 G253 S289 L290 I291 Q295 S310 | V249-K293 HydrophobicContact CG1-CG 4.03Å; V249-K293 VanDerWaalsContact O-CE 3.25Å; V249-K293 WeakPolarHBondContact O-CE 3.48Å; N250-K293 PolarHBondContact O-NZ 3.15Å; N250-K293 VanDerWaalsContact O-NZ 3.16Å; L252-K293 VanDerWaalsContact C-NZ 3.29Å; L252-K293 PolarHBondContact O-NZ 3.1Å; G253-K293 VanDerWaalsContact CA-NZ 3.31Å; G253-K293 VanDerWaalsContact N-NZ 3.2Å; S289-K293 WeakPolarHBondContact O-CB 3.16Å; S289-K293 VanDerWaalsContact O-CG 3.28Å; S289-K293 WeakPolarHBondContact O-CG 2.95Å; S289-K293 PolarHBondContact O-N 3.07Å; L290-K293 PolarHBondContact O-N 2.86Å; I291-K293 VanDerWaalsContact C-N 3.33Å; I291-K293 PolarHBondContact O-N 3.23Å; K293-Q295 VanDerWaalsContact C-N 3.29Å; K293-Q295 PolarHBondContact O-N 3.35Å; K293-S310 PolarHBondContact O-OG 3.14Å |
| 294 | Q | 64.6 | Low | 57 | Low | 37 Ų | 37 | 95 Ų | 95 | 17% | 0.173 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -80.9 | -3.2 | 175.1 | -71.9 | 173.2 | 0.1 | 0 | 0 | 113.6 | L290 I291 R296 S310 P332 | L290-Q294 WeakPolarHBondContact O-CB 3.26Å; L290-Q294 WeakPolarHBondContact O-CG 3.28Å; L290-Q294 PolarHBondContact O-N 3.04Å; I291-Q294 PolarHBondContact O-N 2.98Å; Q294-R296 PolarHBondContact O-N 3.17Å; Q294-S310 PolarHBondContact O-OG 3.47Å; Q294-P332 PolarHBondContact NE2-O 2.97Å |
| 295 | Q | 50 | Low | 55.1 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 54% | 0.537 | 45% | 0.454 | S | S | . | . | trans | -67 | 128.7 | -174.4 | -95.5 | -175.2 | 0.8 | 0 | 0 | 114.4 | I291 K293 T297 | I291-Q295 WeakPolarHBondContact O-CG 3.47Å; I291-Q295 PolarHBondContact O-N 3.34Å; K293-Q295 VanDerWaalsContact C-N 3.29Å; K293-Q295 PolarHBondContact O-N 3.35Å; Q295-T297 PolarHBondContact O-N 2.79Å | ||
| 296 | R | 38.9 | Very low | 53.5 | Low | 136 Ų | 136 | 89 Ų | 89 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | trans | -50 | 101.4 | 178.7 | -63.9 | 169.4 | -180 | 179.8 | -2.5 | 113 | Q294 T309 | Q294-R296 PolarHBondContact O-N 3.17Å; R296-T309 HydrophobicContact CG-CG2 3.96Å | ||
| 297 | T | 34.5 | Very low | 51.6 | Low | 100 Ų | 100 | 91.8 Ų | 91.8 | 61% | 0.613 | 46% | 0.455 | S | S | * | . | trans | -97.3 | 103.8 | 172.1 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | Q295 W299 | Q295-T297 PolarHBondContact O-N 2.79Å; T297-W299 VanDerWaalsContact O-CD1 3.24Å; T297-W299 PolarHBondContact O-N 3.46Å | ||
| 298 | S | 31 | Very low | 49.9 | Very low | 121 Ų | 121 | 92.9 Ų | 92.9 | 85% | 0.846 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 23.5 | 28.5 | 149.6 | 69.4 | 0 | 0 | 0 | 0 | 122.6 | ||
| 299 | W | 31.1 | Very low | 48.9 | Very low | 220 Ų | 220 | 86.9 Ų | 86.9 | 83% | 0.833 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 122.3 | 157.6 | -62.3 | 88.5 | 0 | 0 | 0 | 105.7 | T297 | T297-W299 VanDerWaalsContact O-CD1 3.24Å; T297-W299 PolarHBondContact O-N 3.46Å |
| 300 | G | 36.7 | Very low | 48.4 | Very low | 55 Ų | 55 | 87.7 Ų | 87.7 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 166.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D302 | G300-D302 PolarHBondContact O-N 3.46Š|
| 301 | P | 39.8 | Very low | 48.3 | Very low | 66 Ų | 66 | 88.2 Ų | 88.2 | 43% | 0.429 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -46.6 | 144.9 | 172.9 | 19.1 | -30.5 | 0 | 0 | 0 | 110.9 | G305 N306 | P301-G305 WeakPolarHBondContact CB-O 3.45Å; P301-N306 VanDerWaalsContact CA-O 3.27Å; P301-N306 WeakPolarHBondContact CA-O 3.31Å |
| 302 | D | 42.8 | Very low | 48.9 | Very low | 48 Ų | 48 | 85.1 Ų | 85.1 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 172 | 170.3 | 66.9 | 7 | 0 | 0 | 0 | 110.8 | G300 N304 G305 N306 I308 | G300-D302 PolarHBondContact O-N 3.46Å; D302-N304 PolarHBondContact O-N 2.77Å; D302-N304 WeakPolarHBondContact OD1-CA 3.43Å; D302-N304 WeakPolarHBondContact OD1-CB 3.29Å; D302-N304 PolarHBondContact OD1-N 3.22Å; D302-G305 PolarHBondContact O-N 2.81Å; D302-G305 PolarHBondContact OD1-N 2.78Å; D302-N306 PolarHBondContact N-O 3.06Å; D302-N306 WeakPolarHBondContact OD1-CB 3.29Å; D302-N306 PolarHBondContact OD1-N 2.84Å; D302-N306 WeakPolarHBondContact OD2-CB 3.31Å; D302-N306 PolarHBondContact OD2-ND2 2.85Å; D302-N306 VanDerWaalsContact OD2-ND2 3.16Å; D302-I308 HydrophobicContact CB-CD1 4.2Å; D302-I308 HydrophobicContact CB-CG1 4.49Å |
| 303 | E | 48.1 | Very low | 50 | Low | 205 Ų | 205 | 75.9 Ų | 75.9 | 96% | 0.958 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -15.5 | 178.8 | -62.9 | -172.8 | 170.9 | 0 | 0 | 113.3 | ||
| 304 | N | 43.9 | Very low | 51.1 | Low | 109 Ų | 109 | 73.1 Ų | 73.1 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -4.2 | 179.6 | -62.7 | -35.2 | 0 | 0 | 0 | 114.9 | K146 D302 | K146-N304 WeakPolarHBondContact CE-O 3.27Å; D302-N304 PolarHBondContact O-N 2.77Å; D302-N304 WeakPolarHBondContact OD1-CA 3.43Å; D302-N304 WeakPolarHBondContact OD1-CB 3.29Å; D302-N304 PolarHBondContact OD1-N 3.22Å |
| 305 | G | 37.8 | Very low | 52.3 | Low | 37 Ų | 37 | 71.4 Ų | 71.4 | 38% | 0.381 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 94.7 | 5.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P301 D302 | P301-G305 WeakPolarHBondContact CB-O 3.45Å; D302-G305 PolarHBondContact O-N 2.81Å; D302-G305 PolarHBondContact OD1-N 2.78Å |
| 306 | N | 43.2 | Very low | 54.1 | Low | 39 Ų | 39 | 65.9 Ų | 65.9 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | trans | -93.9 | 131.7 | -174.4 | -49.7 | -43.9 | 0 | 0 | 0 | 111.6 | P301 D302 I308 | P301-N306 VanDerWaalsContact CA-O 3.27Å; P301-N306 WeakPolarHBondContact CA-O 3.31Å; D302-N306 PolarHBondContact N-O 3.06Å; D302-N306 WeakPolarHBondContact OD1-CB 3.29Å; D302-N306 PolarHBondContact OD1-N 2.84Å; D302-N306 WeakPolarHBondContact OD2-CB 3.31Å; D302-N306 PolarHBondContact OD2-ND2 2.85Å; D302-N306 VanDerWaalsContact OD2-ND2 3.16Å; N306-I308 PolarHBondContact O-N 3.38Å | ||
| 307 | L | 41.8 | Very low | 56.3 | Low | 59 Ų | 59 | 59.5 Ų | 59.5 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | trans | -75.5 | 109.6 | 176.3 | -82 | 148 | 0 | 0 | 0 | 110.5 | I147 T309 | I147-L307 HydrophobicContact CD1-CD1 3.65Å; L307-T309 PolarHBondContact O-N 3.38Å; L307-T309 VanDerWaalsContact O-N 3.16Å | ||
| 308 | I | 44.1 | Very low | 58.5 | Low | 109 Ų | 109 | 55.3 Ų | 55.3 | 56% | 0.559 | 31% | 0.309 | S | S | * | . | trans | -75.2 | 103.7 | 174.4 | -54.4 | 172.6 | 0 | 0 | 0 | 108.8 | P210 D302 N306 | P210-I308 HydrophobicContact CG-CG2 4.17Å; D302-I308 HydrophobicContact CB-CD1 4.2Å; D302-I308 HydrophobicContact CB-CG1 4.49Å; N306-I308 PolarHBondContact O-N 3.38Å | ||
| 309 | T | 52.6 | Low | 61 | Low | 34 Ų | 34 | 49.6 Ų | 49.6 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | trans | -76.9 | 142.1 | 168.5 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | R296 L307 L311 | R296-T309 HydrophobicContact CG-CG2 3.96Å; L307-T309 PolarHBondContact O-N 3.38Å; L307-T309 VanDerWaalsContact O-N 3.16Å; T309-L311 PolarHBondContact O-N 2.95Å | ||
| 310 | S | 63 | Low | 63 | Low | 28 Ų | 28 | 41 Ų | 41 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | trans | -71 | 75.4 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | K293 Q294 | K293-S310 PolarHBondContact O-OG 3.14Å; Q294-S310 PolarHBondContact O-OG 3.47Å | ||
| 311 | L | 73.4 | Confident | 64.9 | Low | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 128.2 | -177.2 | -170.5 | 68 | 0 | 0 | 0 | 110.4 | A139 F142 F209 G211 T309 A334 | A139-L311 HydrophobicContact CB-CD2 4.09Å; F142-L311 HydrophobicContact CB-CD1 4.1Å; F142-L311 HydrophobicContact CB-CD2 4.26Å; F142-L311 HydrophobicContact CD1-CD1 4.08Å; F142-L311 HydrophobicContact CD2-CD1 3.71Å; F142-L311 HydrophobicContact CD2-CD2 3.64Å; F142-L311 HydrophobicContact CD2-CG 4.35Å; F142-L311 HydrophobicContact CE1-CD1 4.44Å; F142-L311 HydrophobicContact CE2-CD1 4.1Å; F142-L311 HydrophobicContact CE2-CD2 4.31Å; F142-L311 HydrophobicContact CG-CD1 3.69Å; F142-L311 HydrophobicContact CG-CD2 4.18Å; F142-L311 HydrophobicContact CZ-CD1 4.44Å; F209-L311 CarbonylContact C-O 3.52Å; F209-L311 VanDerWaalsContact C-O 3.25Å; F209-L311 WeakPolarHBondContact CA-O 3.33Å; F209-L311 HydrophobicContact CD1-CD2 3.81Å; F209-L311 HydrophobicContact CD1-CG 4.09Å; F209-L311 HydrophobicContact CE1-CD2 3.78Å; F209-L311 HydrophobicContact CE1-CG 4.43Å; G211-L311 VanDerWaalsContact CA-O 3.3Å; G211-L311 WeakPolarHBondContact CA-O 3.44Å; G211-L311 PolarHBondContact N-O 3.07Å; T309-L311 PolarHBondContact O-N 2.95Å; L311-A334 HydrophobicContact CD1-CB 4.34Å; L311-A334 HydrophobicContact CD2-CB 4.34Å; L311-A334 HydrophobicContact CG-CB 4.32Å |
| 312 | L | 80.7 | Confident | 66.7 | Low | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.9 | 178.6 | -176.1 | 83 | 0 | 0 | 0 | 109.3 | G211 I214 V249 L290 I314 | G211-L312 WeakPolarHBondContact O-CD1 3.04Å; I214-L312 HydrophobicContact CD1-CD1 4.32Å; I214-L312 HydrophobicContact CD1-CD2 3.8Å; I214-L312 HydrophobicContact CD1-CG 4.44Å; I214-L312 HydrophobicContact CG1-CD1 4.26Å; I214-L312 HydrophobicContact CG1-CD2 4.42Å; V249-L312 HydrophobicContact CG2-CD2 4.44Å; L290-L312 HydrophobicContact CD2-CD2 3.88Å; L312-I314 HydrophobicContact CD2-CD1 4.31Å; L312-I314 HydrophobicContact CD2-CG1 4.11Å; L312-I314 HydrophobicContact CG-CG1 4.49Å |
| 313 | L | 86.5 | Confident | 68.3 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.9 | 173.5 | -178 | 63.3 | 0 | 0 | 0 | 110.7 | L135 L198 F209 G212 V213 I214 I315 A334 L336 | L135-L313 HydrophobicContact CD2-CD2 4.3Å; L198-L313 HydrophobicContact CD2-CD2 3.98Å; F209-L313 HydrophobicContact CB-CB 4.22Å; F209-L313 HydrophobicContact CD1-CB 3.66Å; F209-L313 HydrophobicContact CD1-CD1 4.4Å; F209-L313 HydrophobicContact CD1-CG 4.45Å; F209-L313 HydrophobicContact CD2-CB 4.4Å; F209-L313 HydrophobicContact CD2-CD2 4.15Å; F209-L313 HydrophobicContact CE1-CB 4.09Å; F209-L313 HydrophobicContact CE1-CD1 3.93Å; F209-L313 HydrophobicContact CE1-CG 4.43Å; F209-L313 HydrophobicContact CE2-CD2 4.12Å; F209-L313 HydrophobicContact CG-CB 3.83Å; F209-L313 HydrophobicContact CG-CD2 4.41Å; F209-L313 HydrophobicContact CZ-CD1 4.06Å; F209-L313 HydrophobicContact CZ-CD2 4.36Å; G212-L313 PolarHBondContact O-N 3.44Å; V213-L313 CarbonylContact C-O 3.58Å; V213-L313 WeakPolarHBondContact CA-O 3.41Å; V213-L313 HydrophobicContact CG1-CD2 4.37Å; V213-L313 HydrophobicContact CG2-CB 4.32Å; V213-L313 HydrophobicContact CG2-CD2 4.38Å; I214-L313 PolarHBondContact N-O 2.7Å; L313-I315 HydrophobicContact CD2-CD1 4.23Å; L313-I315 HydrophobicContact CD2-CG1 4.23Å; L313-I315 HydrophobicContact CG-CG1 4.11Å; L313-A334 HydrophobicContact CD1-CB 4.22Å; L313-L336 HydrophobicContact CD1-CB 4.32Å |
| 314 | I | 88.1 | Confident | 69.9 | Low | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.1 | 177.1 | -58 | 171.8 | 0 | 0 | 0 | 109 | L245 L290 L312 L316 A334 F335 L336 | L245-I314 HydrophobicContact CD1-CG2 3.99Å; L290-I314 HydrophobicContact CD2-CD1 3.74Å; L312-I314 HydrophobicContact CD2-CD1 4.31Å; L312-I314 HydrophobicContact CD2-CG1 4.11Å; L312-I314 HydrophobicContact CG-CG1 4.49Å; I314-L316 HydrophobicContact CG2-CD2 3.98Å; I314-L316 HydrophobicContact CG2-CG 4.37Å; I314-A334 PolarHBondContact N-O 2.79Å; I314-F335 HydrophobicContact CB-CD1 3.89Å; I314-F335 HydrophobicContact CB-CE1 4.07Å; I314-F335 HydrophobicContact CD1-CD1 4.38Å; I314-F335 HydrophobicContact CD1-CE1 3.72Å; I314-F335 HydrophobicContact CD1-CZ 4.09Å; I314-F335 HydrophobicContact CG1-CE1 4.49Å; I314-F335 HydrophobicContact CG2-CD1 4.01Å; I314-F335 HydrophobicContact CG2-CE1 4.08Å; I314-F335 CarbonylContact O-C 3.51Å; I314-F335 WeakPolarHBondContact O-CA 3.49Å; I314-L336 PolarHBondContact O-N 2.91Å |
| 315 | I | 89.8 | Confident | 71.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.6 | 179.9 | -51.6 | 176.4 | 0 | 0 | 0 | 108.9 | L198 V213 I214 W215 M216 L313 L336 | L198-I315 HydrophobicContact CD1-CD1 3.25Å; V213-I315 HydrophobicContact CG1-CD1 3.5Å; V213-I315 HydrophobicContact CG1-CG1 4.02Å; I214-I315 PolarHBondContact O-N 3.43Å; W215-I315 HydrophobicContact CB-CB 4.46Å; W215-I315 HydrophobicContact CD2-CB 4.25Å; W215-I315 HydrophobicContact CD2-CD1 4.2Å; W215-I315 HydrophobicContact CD2-CG2 3.96Å; W215-I315 HydrophobicContact CE3-CD1 3.61Å; W215-I315 HydrophobicContact CE3-CG2 4.3Å; W215-I315 HydrophobicContact CG-CB 4.21Å; W215-I315 HydrophobicContact CG-CG2 4.25Å; W215-I315 HydrophobicContact CZ2-CG2 4.35Å; W215-I315 HydrophobicContact CZ3-CD1 4.01Å; M216-I315 PolarHBondContact N-O 2.89Å; L313-I315 HydrophobicContact CD2-CD1 4.23Å; L313-I315 HydrophobicContact CD2-CG1 4.23Å; L313-I315 HydrophobicContact CG-CG1 4.11Å; I315-L336 CarbonylContact C-O 3.59Å; I315-L336 VanDerWaalsContact CA-O 3.31Å; I315-L336 WeakPolarHBondContact CA-O 3.36Å; I315-L336 HydrophobicContact CB-CB 4.47Å; I315-L336 HydrophobicContact CD1-CD2 4.14Å; I315-L336 HydrophobicContact CG1-CB 4.08Å; I315-L336 HydrophobicContact CG1-CD2 4.01Å; I315-L336 HydrophobicContact CG2-CB 4.41Å; I315-L336 HydrophobicContact CG2-CD2 4.01Å; I315-L336 HydrophobicContact CG2-CG 4.35Å |
| 316 | L | 88.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 107.2 | 175.2 | -55.7 | 180 | 0 | 0 | 0 | 108.7 | V218 F241 L245 I314 V319 V324 L328 F335 L336 V337 T338 | V218-L316 HydrophobicContact CG2-CB 3.95Å; V218-L316 HydrophobicContact CG2-CD2 4.14Å; F241-L316 HydrophobicContact CE2-CD2 4.23Å; F241-L316 HydrophobicContact CZ-CD1 4.49Å; F241-L316 HydrophobicContact CZ-CD2 3.89Å; L245-L316 HydrophobicContact CD1-CD2 4.01Å; I314-L316 HydrophobicContact CG2-CD2 3.98Å; I314-L316 HydrophobicContact CG2-CG 4.37Å; L316-V319 HydrophobicContact CB-CG2 3.56Å; L316-V324 HydrophobicContact CD1-CG1 4.17Å; L316-L328 HydrophobicContact CD1-CD1 3.53Å; L316-F335 HydrophobicContact CD1-CD1 4.43Å; L316-L336 PolarHBondContact N-O 2.96Å; L316-V337 HydrophobicContact CB-CG2 4.31Å; L316-V337 HydrophobicContact CD1-CG2 4.29Å; L316-V337 WeakPolarHBondContact O-CA 3.45Å; L316-T338 PolarHBondContact O-N 3.42Å |
| 317 | D | 84.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.7 | -173.7 | -164.1 | 35.1 | 0 | 0 | 0 | 112.3 | S191 W215 M216 V218 T338 | S191-D317 WeakPolarHBondContact CB-OD1 3.42Å; S191-D317 WeakPolarHBondContact CB-OD2 3.38Å; S191-D317 PolarHBondContact OG-OD1 3.32Å; S191-D317 PolarHBondContact OG-OD2 2.92Å; W215-D317 VanDerWaalsContact NE1-CB 3.34Å; M216-D317 PolarHBondContact O-N 2.97Å; V218-D317 PolarHBondContact N-O 2.91Å; D317-T338 WeakPolarHBondContact CA-OG1 3.14Å; D317-T338 PolarHBondContact OD1-OG1 3.1Å |
| 318 | D | 80.4 | Confident | 77.2 | Confident | 11 Ų | 11 | 24.4 Ų | 24.4 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 57.6 | -178.9 | -152.5 | 20.6 | 0 | 0 | 0 | 111.9 | G219 W320 T338 R340 Y454 | G219-D318 VanDerWaalsContact CA-O 3.24Å; G219-D318 WeakPolarHBondContact CA-O 3.49Å; G219-D318 PolarHBondContact N-O 3.38Å; D318-W320 PolarHBondContact OD1-NE1 3.05Å; D318-W320 PolarHBondContact OD2-NE1 3.43Å; D318-T338 WeakPolarHBondContact CA-O 3.37Å; D318-T338 PolarHBondContact N-O 3.27Å; D318-T338 PolarHBondContact N-OG1 3.28Å; D318-R340 IonicContact OD1-CZ 3.37Å; D318-R340 IonicContact OD1-NE 2.74Å; D318-R340 PolarHBondContact OD1-NE 3.02Å; D318-R340 IonicContact OD1-NH2 2.94Å; D318-R340 PolarHBondContact OD1-NH2 2.82Å; D318-R340 IonicContact OD2-CZ 2.67Å; D318-R340 IonicContact OD2-NH2 3.6Å; D318-R340 PolarHBondContact OD2-NH2 2.87Å; D318-Y454 PolarHBondContact OD2-OH 2.92Å |
| 319 | V | 82.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.4 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | V218 L316 V324 V337 T338 S339 I344 | V218-V319 HydrophobicContact CB-CG2 4.05Å; V218-V319 HydrophobicContact CG2-CG2 3.83Å; L316-V319 HydrophobicContact CB-CG2 3.56Å; V319-V324 HydrophobicContact CG1-CB 3.88Å; V319-V324 HydrophobicContact CG1-CG1 4.02Å; V319-V324 HydrophobicContact CG1-CG2 4.07Å; V319-V337 HydrophobicContact CB-CG1 3.87Å; V319-V337 HydrophobicContact CG2-CG1 3.7Å; V319-T338 PolarHBondContact N-O 3.37Å; V319-S339 WeakPolarHBondContact O-CB 3.46Å; V319-S339 PolarHBondContact O-OG 3.31Å; V319-I344 HydrophobicContact CB-CG1 4.31Å; V319-I344 HydrophobicContact CG1-CD1 4.11Å; V319-I344 HydrophobicContact CG1-CG1 3.81Å |
| 320 | W | 73.3 | Confident | 79.9 | Confident | 40 Ų | 40 | 23 Ų | 23 | 15% | 0.152 | 11% | 0.112 | C | C | . | . | trans | -116.2 | -21.1 | -173.7 | -71.4 | 29.4 | 0 | 0 | 0 | 114.4 | P220 D318 Y454 K463 | P220-W320 HydrophobicContact CB-CD2 4.17Å; P220-W320 HydrophobicContact CB-CE3 3.66Å; P220-W320 HydrophobicContact CB-CZ3 4Å; P220-W320 HydrophobicContact CG-CD2 4.41Å; P220-W320 HydrophobicContact CG-CE3 4.04Å; P220-W320 HydrophobicContact CG-CH2 4.33Å; P220-W320 HydrophobicContact CG-CZ3 3.98Å; D318-W320 PolarHBondContact OD1-NE1 3.05Å; D318-W320 PolarHBondContact OD2-NE1 3.43Å; W320-Y454 VanDerWaalsContact CZ2-OH 3.28Å; W320-Y454 WeakPolarHBondContact CZ2-OH 3.45Å; W320-K463 HydrophobicContact CH2-CB 3.39Å; W320-K463 HydrophobicContact CH2-CD 3.37Å; W320-K463 HydrophobicContact CH2-CG 3.53Å; W320-K463 HydrophobicContact CZ2-CB 4.08Å; W320-K463 HydrophobicContact CZ2-CD 3.93Å; W320-K463 HydrophobicContact CZ2-CG 4.41Å; W320-K463 HydrophobicContact CZ3-CB 4.07Å; W320-K463 HydrophobicContact CZ3-CD 4.46Å; W320-K463 HydrophobicContact CZ3-CG 4.28Å | ||
| 321 | D | 76.3 | Confident | 80.7 | Confident | 36 Ų | 36 | 21.8 Ų | 21.8 | 19% | 0.193 | 10% | 0.104 | C | C | . | . | trans | -106.8 | 126.6 | -176.1 | -153.9 | -63.8 | 0 | 0 | 0 | 112.6 | F222 E323 V324 I344 | F222-D321 HydrophobicContact CD2-CB 3.97Å; F222-D321 WeakPolarHBondContact CD2-OD2 3.08Å; F222-D321 HydrophobicContact CE2-CB 4.16Å; F222-D321 VanDerWaalsContact CE2-OD2 3.26Å; F222-D321 WeakPolarHBondContact CE2-OD2 3.07Å; F222-D321 VanDerWaalsContact CG-OD2 3.26Å; F222-D321 WeakPolarHBondContact CG-OD2 3.09Å; D321-E323 PolarHBondContact O-N 3.38Å; D321-E323 WeakPolarHBondContact OD1-CB 3.48Å; D321-E323 PolarHBondContact OD1-N 3.2Å; D321-V324 HydrophobicContact CB-CG2 4.27Å; D321-V324 WeakPolarHBondContact O-CB 3.23Å; D321-V324 WeakPolarHBondContact O-CG2 3.2Å; D321-V324 PolarHBondContact O-N 2.97Å; D321-V324 VanDerWaalsContact O-N 3.08Å; D321-I344 WeakPolarHBondContact O-CD1 3.4Å | ||
| 322 | I | 78.7 | Confident | 80.6 | Confident | 24 Ų | 24 | 22 Ų | 22 | 12% | 0.123 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61 | -27.3 | 177.3 | -79.2 | 168.1 | 0 | 0 | 0 | 111.9 | V324 G325 R326 I344 R347 | I322-V324 PolarHBondContact O-N 3.22Å; I322-G325 PolarHBondContact O-N 3.37Å; I322-R326 PolarHBondContact O-N 2.93Å; I322-I344 HydrophobicContact CG1-CD1 4.13Å; I322-R347 HydrophobicContact CG2-CB 4.44Å; I322-R347 VanDerWaalsContact CG2-CD 3.49Å; I322-R347 HydrophobicContact CG2-CG 3.77Å |
| 323 | E | 76.2 | Confident | 80.4 | Confident | 46 Ų | 46 | 21.6 Ų | 21.6 | 22% | 0.215 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.5 | -23.1 | 176.5 | -66.6 | -68.2 | 166.1 | 0 | 0 | 112.1 | F222 I238 D321 R326 V327 R347 | F222-E323 HydrophobicContact CE2-CB 4.18Å; F222-E323 HydrophobicContact CE2-CG 4.44Å; F222-E323 HydrophobicContact CZ-CB 4.16Å; F222-E323 HydrophobicContact CZ-CG 4.05Å; I238-E323 HydrophobicContact CD1-CB 4.09Å; D321-E323 PolarHBondContact O-N 3.38Å; D321-E323 WeakPolarHBondContact OD1-CB 3.48Å; D321-E323 PolarHBondContact OD1-N 3.2Å; E323-R326 PolarHBondContact O-N 2.94Å; E323-R326 IonicContact OE1-NH1 2.85Å; E323-R326 WeakPolarHBondContact OE2-CD 3.27Å; E323-R326 IonicContact OE2-NE 2.78Å; E323-R326 IonicContact OE2-NH1 3.08Å; E323-R326 PolarHBondContact OE2-NH1 3.25Å; E323-V327 VanDerWaalsContact O-CB 3.29Å; E323-V327 WeakPolarHBondContact O-CB 3.24Å; E323-V327 WeakPolarHBondContact O-CG2 3.27Å; E323-V327 PolarHBondContact O-N 3.13Å; E323-R347 IonicContact OE1-CZ 3.98Å; E323-R347 IonicContact OE1-NH1 2.72Å; E323-R347 PolarHBondContact OE1-NH1 3.32Å; E323-R347 IonicContact OE2-NH1 3.19Å |
| 324 | V | 82 | Confident | 80.4 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.03 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 176 | 178 | 0 | 0 | 0 | 0 | 110.8 | V218 L221 F241 L316 V319 D321 I322 R326 V327 L328 | V218-V324 HydrophobicContact CG1-CG2 4.26Å; L221-V324 HydrophobicContact CD1-CG2 3.46Å; L221-V324 VanDerWaalsContact CD1-CG2 3.46Å; F241-V324 HydrophobicContact CE1-CG1 4.01Å; F241-V324 HydrophobicContact CZ-CG1 4.26Å; L316-V324 HydrophobicContact CD1-CG1 4.17Å; V319-V324 HydrophobicContact CG1-CB 3.88Å; V319-V324 HydrophobicContact CG1-CG1 4.02Å; V319-V324 HydrophobicContact CG1-CG2 4.07Å; D321-V324 HydrophobicContact CB-CG2 4.27Å; D321-V324 WeakPolarHBondContact O-CB 3.23Å; D321-V324 WeakPolarHBondContact O-CG2 3.2Å; D321-V324 PolarHBondContact O-N 2.97Å; D321-V324 VanDerWaalsContact O-N 3.08Å; I322-V324 PolarHBondContact O-N 3.22Å; V324-R326 PolarHBondContact O-N 3.27Å; V324-V327 PolarHBondContact O-N 3.13Å; V324-L328 HydrophobicContact CG1-CD1 3.9Å; V324-L328 WeakPolarHBondContact O-CB 3.49Å; V324-L328 WeakPolarHBondContact O-CG 3.5Å; V324-L328 PolarHBondContact O-N 3.02Å; V324-L328 VanDerWaalsContact O-N 3.14Å |
| 325 | G | 78.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I322 L328 S329 | I322-G325 PolarHBondContact O-N 3.37Å; G325-L328 PolarHBondContact O-N 2.99Å; G325-S329 WeakPolarHBondContact O-CA 3.49Å; G325-S329 WeakPolarHBondContact O-CB 3.42Å; G325-S329 PolarHBondContact O-N 2.86Å |
| 326 | R | 78.5 | Confident | 80.6 | Confident | 138 Ų | 138 | 21.6 Ų | 21.6 | 52% | 0.521 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.3 | -171.6 | -161.8 | -179.6 | -179.7 | -0.4 | 113 | I322 E323 V324 L328 S329 R347 | I322-R326 PolarHBondContact O-N 2.93Å; E323-R326 PolarHBondContact O-N 2.94Å; E323-R326 IonicContact OE1-NH1 2.85Å; E323-R326 WeakPolarHBondContact OE2-CD 3.27Å; E323-R326 IonicContact OE2-NE 2.78Å; E323-R326 IonicContact OE2-NH1 3.08Å; E323-R326 PolarHBondContact OE2-NH1 3.25Å; V324-R326 PolarHBondContact O-N 3.27Å; R326-L328 VanDerWaalsContact C-N 3.35Å; R326-S329 PolarHBondContact O-OG 2.98Å; R326-R347 HydrophobicContact CB-CB 4.15Å; R326-R347 HydrophobicContact CG-CB 4.49Å |
| 327 | V | 79.2 | Confident | 80.6 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 12% | 0.115 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.3 | -36.8 | -177.3 | 165.8 | 0 | 0 | 0 | 0 | 111 | I238 V242 L279 L283 E323 V324 | I238-V327 HydrophobicContact CD1-CG2 4.49Å; I238-V327 HydrophobicContact CG2-CB 4.42Å; I238-V327 HydrophobicContact CG2-CG1 3.89Å; I238-V327 HydrophobicContact CG2-CG2 3.98Å; V242-V327 HydrophobicContact CG2-CG1 3.93Å; L279-V327 HydrophobicContact CD1-CG1 4.28Å; L279-V327 HydrophobicContact CD2-CG2 4.27Å; L283-V327 HydrophobicContact CD1-CG1 4.15Å; L283-V327 HydrophobicContact CD2-CG1 3.81Å; L283-V327 VanDerWaalsContact CD2-O 3.32Å; L283-V327 WeakPolarHBondContact CD2-O 3.25Å; L283-V327 HydrophobicContact CG-CG1 4.3Å; E323-V327 VanDerWaalsContact O-CB 3.29Å; E323-V327 WeakPolarHBondContact O-CB 3.24Å; E323-V327 WeakPolarHBondContact O-CG2 3.27Å; E323-V327 PolarHBondContact O-N 3.13Å; V324-V327 PolarHBondContact O-N 3.13Å |
| 328 | L | 83 | Confident | 80.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -90.4 | -7 | -178.8 | -60.5 | 178.3 | 0 | 0 | 0 | 113.6 | W179 F241 L286 L316 V324 G325 R326 N330 L331 F335 | W179-L328 HydrophobicContact CH2-CB 3.74Å; W179-L328 HydrophobicContact CH2-CD1 4.41Å; W179-L328 HydrophobicContact CZ2-CB 4.19Å; F241-L328 HydrophobicContact CE1-CD1 3.97Å; F241-L328 HydrophobicContact CE1-CD2 4.36Å; F241-L328 HydrophobicContact CE1-CG 4.43Å; F241-L328 HydrophobicContact CZ-CD1 4.17Å; L286-L328 HydrophobicContact CD2-CD2 4.25Å; L316-L328 HydrophobicContact CD1-CD1 3.53Å; V324-L328 HydrophobicContact CG1-CD1 3.9Å; V324-L328 WeakPolarHBondContact O-CB 3.49Å; V324-L328 WeakPolarHBondContact O-CG 3.5Å; V324-L328 PolarHBondContact O-N 3.02Å; V324-L328 VanDerWaalsContact O-N 3.14Å; G325-L328 PolarHBondContact O-N 2.99Å; R326-L328 VanDerWaalsContact C-N 3.35Å; L328-N330 PolarHBondContact O-N 3.08Å; L328-L331 HydrophobicContact CB-CD1 4.29Å; L328-L331 HydrophobicContact CD2-CD1 3.45Å; L328-L331 VanDerWaalsContact CD2-CD1 3.45Å; L328-L331 HydrophobicContact CG-CD1 4.46Å; L328-L331 WeakPolarHBondContact O-CB 3.39Å; L328-L331 PolarHBondContact O-N 3.13Å; L328-L331 VanDerWaalsContact O-N 3.08Å; L328-F335 HydrophobicContact CD1-CE1 4.43Å |
| 329 | S | 79.6 | Confident | 81.1 | Confident | 14 Ų | 14 | 21.1 Ų | 21.1 | 10% | 0.098 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.9 | -171.9 | 67 | 0 | 0 | 0 | 0 | 114.4 | N177 G325 R326 | N177-S329 PolarHBondContact ND2-O 3.05Å; G325-S329 WeakPolarHBondContact O-CA 3.49Å; G325-S329 WeakPolarHBondContact O-CB 3.42Å; G325-S329 PolarHBondContact O-N 2.86Å; R326-S329 PolarHBondContact O-OG 2.98Å |
| 330 | N | 75.4 | Confident | 80.9 | Confident | 99 Ų | 99 | 21.9 Ų | 21.9 | 53% | 0.529 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 2.9 | -176.7 | -71.1 | -20.9 | 0 | 0 | 0 | 114.1 | R287 L328 | R287-N330 PolarHBondContact NH1-O 2.94Å; L328-N330 PolarHBondContact O-N 3.08Å |
| 331 | L | 78.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -98.2 | 127 | -172.5 | -67.7 | 173.4 | 0 | 0 | 0 | 114.2 | N177 L283 L286 R287 L290 L328 G333 F335 | N177-L331 VanDerWaalsContact CG-C 3.45Å; N177-L331 VanDerWaalsContact ND2-C 3.32Å; N177-L331 PolarHBondContact ND2-N 3.1Å; N177-L331 PolarHBondContact ND2-O 3.34Å; N177-L331 PolarHBondContact OD1-O 2.83Å; L283-L331 HydrophobicContact CD2-CD1 3.93Å; L283-L331 HydrophobicContact CD2-CD2 4.42Å; L283-L331 HydrophobicContact CD2-CG 4.34Å; L286-L331 HydrophobicContact CD2-CD1 3.38Å; L286-L331 HydrophobicContact CG-CD1 4.01Å; L286-L331 HydrophobicContact CG-CD2 4.44Å; R287-L331 HydrophobicContact CB-CD2 3.64Å; R287-L331 HydrophobicContact CG-CD2 4.14Å; L290-L331 HydrophobicContact CD1-CB 4.13Å; L328-L331 HydrophobicContact CB-CD1 4.29Å; L328-L331 HydrophobicContact CD2-CD1 3.45Å; L328-L331 VanDerWaalsContact CD2-CD1 3.45Å; L328-L331 HydrophobicContact CG-CD1 4.46Å; L328-L331 WeakPolarHBondContact O-CB 3.39Å; L328-L331 PolarHBondContact O-N 3.13Å; L328-L331 VanDerWaalsContact O-N 3.08Å; L331-G333 PolarHBondContact O-N 3.04Å; L331-F335 HydrophobicContact CB-CZ 4.36Å; L331-F335 WeakPolarHBondContact O-CE2 3.33Å |
| 332 | P | 72.5 | Confident | 81.2 | Confident | 14 Ų | 14 | 21.1 Ų | 21.1 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | trans | -64.3 | 118.4 | -176.9 | 26.6 | -32.7 | 0 | 0 | 0 | 112.6 | T176 N177 R287 L290 I291 Q294 | T176-P332 VanDerWaalsContact O-CA 3.26Å; T176-P332 WeakPolarHBondContact O-CA 3.26Å; N177-P332 WeakPolarHBondContact OD1-CA 3.19Å; R287-P332 HydrophobicContact CG-CG 4.46Å; L290-P332 HydrophobicContact CB-CG 4.5Å; I291-P332 HydrophobicContact CD1-CG 4.32Å; I291-P332 HydrophobicContact CG1-CG 3.7Å; Q294-P332 PolarHBondContact NE2-O 2.97Å | ||
| 333 | G | 76.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | 165.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | F142 T176 N177 A178 L331 F335 | F142-G333 WeakPolarHBondContact CZ-O 3.38Å; T176-G333 PolarHBondContact O-N 3.03Å; N177-G333 WeakPolarHBondContact CA-O 3.31Å; A178-G333 PolarHBondContact N-O 2.74Å; L331-G333 PolarHBondContact O-N 3.04Å; G333-F335 WeakPolarHBondContact O-CD2 3.46Å |
| 334 | A | 85.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L138 F142 F209 L311 L313 I314 | L138-A334 HydrophobicContact CD2-CB 3.37Å; F142-A334 HydrophobicContact CE2-CB 3.86Å; F142-A334 HydrophobicContact CZ-CB 4.33Å; F209-A334 HydrophobicContact CE1-CB 4.02Å; L311-A334 HydrophobicContact CD1-CB 4.34Å; L311-A334 HydrophobicContact CD2-CB 4.34Å; L311-A334 HydrophobicContact CG-CB 4.32Å; L313-A334 HydrophobicContact CD1-CB 4.22Å; I314-A334 PolarHBondContact N-O 2.79Å |
| 335 | F | 90.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.9 | -177.2 | -64.5 | -87.9 | 0 | 0 | 0 | 111.9 | A178 W179 L180 I314 L316 L328 L331 G333 | A178-F335 PolarHBondContact O-N 2.84Å; W179-F335 CarbonylContact C-O 3.58Å; W179-F335 WeakPolarHBondContact CA-O 3.35Å; W179-F335 HydrophobicContact CD2-CB 3.8Å; W179-F335 HydrophobicContact CD2-CD2 4.18Å; W179-F335 HydrophobicContact CD2-CG 4.22Å; W179-F335 AromaticContact CE2-CD2 3.83Å; W179-F335 HydrophobicContact CE3-CB 3.43Å; W179-F335 VanDerWaalsContact CE3-CB 3.43Å; W179-F335 HydrophobicContact CE3-CD2 4.42Å; W179-F335 HydrophobicContact CE3-CG 4.01Å; W179-F335 HydrophobicContact CG-CB 4.46Å; W179-F335 HydrophobicContact CH2-CB 4.16Å; W179-F335 HydrophobicContact CH2-CD1 4.08Å; W179-F335 HydrophobicContact CH2-CD2 4Å; W179-F335 HydrophobicContact CH2-CE1 4.49Å; W179-F335 HydrophobicContact CH2-CE2 4.43Å; W179-F335 AromaticContact CH2-CG 3.81Å; W179-F335 HydrophobicContact CH2-CG 3.81Å; W179-F335 HydrophobicContact CZ2-CB 4.49Å; W179-F335 AromaticContact CZ2-CD2 3.75Å; W179-F335 HydrophobicContact CZ2-CD2 3.75Å; W179-F335 HydrophobicContact CZ2-CE2 4.08Å; W179-F335 HydrophobicContact CZ2-CG 4.04Å; W179-F335 HydrophobicContact CZ3-CB 3.64Å; W179-F335 HydrophobicContact CZ3-CD1 4.18Å; W179-F335 HydrophobicContact CZ3-CD2 4.34Å; W179-F335 AromaticContact CZ3-CG 3.81Å; W179-F335 HydrophobicContact CZ3-CG 3.81Å; L180-F335 PolarHBondContact N-O 2.84Å; I314-F335 HydrophobicContact CB-CD1 3.89Å; I314-F335 HydrophobicContact CB-CE1 4.07Å; I314-F335 HydrophobicContact CD1-CD1 4.38Å; I314-F335 HydrophobicContact CD1-CE1 3.72Å; I314-F335 HydrophobicContact CD1-CZ 4.09Å; I314-F335 HydrophobicContact CG1-CE1 4.49Å; I314-F335 HydrophobicContact CG2-CD1 4.01Å; I314-F335 HydrophobicContact CG2-CE1 4.08Å; I314-F335 CarbonylContact O-C 3.51Å; I314-F335 WeakPolarHBondContact O-CA 3.49Å; L316-F335 HydrophobicContact CD1-CD1 4.43Å; L328-F335 HydrophobicContact CD1-CE1 4.43Å; L331-F335 HydrophobicContact CB-CZ 4.36Å; L331-F335 WeakPolarHBondContact O-CE2 3.33Å; G333-F335 WeakPolarHBondContact O-CD2 3.46Å |
| 336 | L | 91.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.3 | 166.3 | -179.1 | 69.2 | 0 | 0 | 0 | 108.5 | L135 L180 I182 L313 I314 I315 L316 | L135-L336 HydrophobicContact CD2-CD1 4.46Å; L180-L336 HydrophobicContact CB-CD1 3.83Å; L180-L336 HydrophobicContact CD2-CD1 3.59Å; L180-L336 HydrophobicContact CG-CD1 3.55Å; L180-L336 CarbonylContact O-C 3.53Å; L180-L336 WeakPolarHBondContact O-CA 3.26Å; I182-L336 HydrophobicContact CD1-CD1 3.85Å; I182-L336 HydrophobicContact CD1-CD2 4.46Å; I182-L336 HydrophobicContact CD1-CG 4.46Å; I182-L336 HydrophobicContact CG1-CD1 4.03Å; L313-L336 HydrophobicContact CD1-CB 4.32Å; I314-L336 PolarHBondContact O-N 2.91Å; I315-L336 CarbonylContact C-O 3.59Å; I315-L336 VanDerWaalsContact CA-O 3.31Å; I315-L336 WeakPolarHBondContact CA-O 3.36Å; I315-L336 HydrophobicContact CB-CB 4.47Å; I315-L336 HydrophobicContact CD1-CD2 4.14Å; I315-L336 HydrophobicContact CG1-CB 4.08Å; I315-L336 HydrophobicContact CG1-CD2 4.01Å; I315-L336 HydrophobicContact CG2-CB 4.41Å; I315-L336 HydrophobicContact CG2-CD2 4.01Å; I315-L336 HydrophobicContact CG2-CG 4.35Å; L316-L336 PolarHBondContact N-O 2.96Å |
| 337 | V | 90.1 | Very high | 81 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.3 | -179.3 | 179.5 | 0 | 0 | 0 | 0 | 109 | W179 L180 L181 I182 L316 V319 I344 L345 | W179-V337 HydrophobicContact CE3-CG2 3.85Å; W179-V337 HydrophobicContact CZ3-CG2 3.82Å; L180-V337 PolarHBondContact O-N 2.92Å; L181-V337 WeakPolarHBondContact CA-O 3.46Å; L181-V337 HydrophobicContact CD1-CB 4.12Å; L181-V337 HydrophobicContact CD1-CG1 3.95Å; I182-V337 PolarHBondContact N-O 3.46Å; L316-V337 HydrophobicContact CB-CG2 4.31Å; L316-V337 HydrophobicContact CD1-CG2 4.29Å; L316-V337 WeakPolarHBondContact O-CA 3.45Å; V319-V337 HydrophobicContact CB-CG1 3.87Å; V319-V337 HydrophobicContact CG2-CG1 3.7Å; V337-I344 HydrophobicContact CG1-CG2 4.27Å; V337-L345 HydrophobicContact CB-CD1 4.28Å; V337-L345 HydrophobicContact CG2-CD1 4.08Å; V337-L345 HydrophobicContact CG2-CD2 4.25Å |
| 338 | T | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129 | 165.1 | 79.2 | 0 | 0 | 0 | 0 | 108.6 | I182 K190 L316 D317 D318 V319 | I182-T338 WeakPolarHBondContact O-CA 3.28Å; K190-T338 HydrophobicContact CB-CG2 4.3Å; L316-T338 PolarHBondContact O-N 3.42Å; D317-T338 WeakPolarHBondContact CA-OG1 3.14Å; D317-T338 PolarHBondContact OD1-OG1 3.1Å; D318-T338 WeakPolarHBondContact CA-O 3.37Å; D318-T338 PolarHBondContact N-O 3.27Å; D318-T338 PolarHBondContact N-OG1 3.28Å; V319-T338 PolarHBondContact N-O 3.37Å |
| 339 | S | 87 | Confident | 80.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 166.8 | 179.3 | -170.2 | 0 | 0 | 0 | 0 | 112 | I182 H183 G184 K190 V319 D341 | I182-S339 PolarHBondContact O-N 3.29Å; H183-S339 WeakPolarHBondContact CA-O 3.42Å; G184-S339 PolarHBondContact N-O 3.46Å; K190-S339 WeakPolarHBondContact CD-O 3.49Å; K190-S339 WeakPolarHBondContact CE-O 3.43Å; V319-S339 WeakPolarHBondContact O-CB 3.46Å; V319-S339 PolarHBondContact O-OG 3.31Å; S339-D341 PolarHBondContact OG-N 2.75Å; S339-D341 PolarHBondContact OG-O 3.36Å |
| 340 | R | 78.5 | Confident | 80 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -99 | -18.9 | 168.3 | -56 | 156.1 | -167.8 | -141.2 | -3.1 | 110.8 | P186 D318 Y454 A460 S515 | P186-R340 HydrophobicContact CG-CG 4.33Å; D318-R340 IonicContact OD1-CZ 3.37Å; D318-R340 IonicContact OD1-NE 2.74Å; D318-R340 PolarHBondContact OD1-NE 3.02Å; D318-R340 IonicContact OD1-NH2 2.94Å; D318-R340 PolarHBondContact OD1-NH2 2.82Å; D318-R340 IonicContact OD2-CZ 2.67Å; D318-R340 IonicContact OD2-NH2 3.6Å; D318-R340 PolarHBondContact OD2-NH2 2.87Å; R340-Y454 PolarHBondContact NH2-OH 3.27Å; R340-A460 PolarHBondContact NH1-O 2.83Å; R340-S515 WeakPolarHBondContact O-CB 3.39Å; R340-S515 PolarHBondContact O-OG 2.8Å |
| 341 | D | 76.3 | Confident | 80 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | trans | -93.1 | 121.8 | 177.8 | -167.5 | -16.4 | 0 | 0 | 0 | 109.2 | S339 D343 I344 R513 | S339-D341 PolarHBondContact OG-N 2.75Å; S339-D341 PolarHBondContact OG-O 3.36Å; D341-D343 PolarHBondContact O-N 3.23Å; D341-D343 PolarHBondContact OD1-N 2.99Å; D341-I344 HydrophobicContact CB-CB 4.2Å; D341-I344 HydrophobicContact CB-CD1 4.35Å; D341-I344 WeakPolarHBondContact O-CB 3.26Å; D341-I344 WeakPolarHBondContact O-CG2 3.18Å; D341-R513 WeakPolarHBondContact CA-O 3.49Å; D341-R513 WeakPolarHBondContact OD1-CG 3.41Å; D341-R513 IonicContact OD1-NE 3.93Å; D341-R513 IonicContact OD2-NE 3.38Å; D341-R513 PolarHBondContact OD2-NE 3.16Å; D341-R513 IonicContact OD2-NH2 2.78Å | ||
| 342 | L | 78.4 | Confident | 80.2 | Confident | 47 Ų | 47 | 34.7 Ų | 34.7 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.2 | 174.9 | 172.7 | 62.5 | 0 | 0 | 0 | 111.7 | L181 H183 I344 R513 | L181-L342 WeakPolarHBondContact CD2-O 3.36Å; H183-L342 WeakPolarHBondContact NE2-CD1 3.31Å; L342-I344 VanDerWaalsContact C-N 3.3Å; L342-I344 PolarHBondContact O-N 2.98Å; L342-R513 PolarHBondContact N-O 3.21Å |
| 343 | D | 76.5 | Confident | 80.8 | Confident | 33 Ų | 33 | 37.3 Ų | 37.3 | 18% | 0.176 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 8.9 | -173.3 | -59.7 | -22.7 | 0 | 0 | 0 | 111.7 | D341 L345 E346 R513 | D341-D343 PolarHBondContact O-N 3.23Å; D341-D343 PolarHBondContact OD1-N 2.99Å; D343-L345 PolarHBondContact O-N 3.4Å; D343-E346 HydrophobicContact CB-CB 4.23Å; D343-E346 VanDerWaalsContact O-CB 3.26Å; D343-E346 WeakPolarHBondContact O-CB 3.45Å; D343-E346 PolarHBondContact O-N 2.83Å; D343-R513 HydrophobicContact CB-CG 4.43Å; D343-R513 VanDerWaalsContact OD2-CD 3.22Å; D343-R513 WeakPolarHBondContact OD2-CD 3.3Å; D343-R513 WeakPolarHBondContact OD2-CG 3.4Å; D343-R513 IonicContact OD2-CZ 3.98Å; D343-R513 IonicContact OD2-NE 3.91Å; D343-R513 PolarHBondContact OD2-NE 2.94Å; D343-R513 IonicContact OD2-NH1 2.67Å; D343-R513 PolarHBondContact OD2-NH1 3.48Å |
| 344 | I | 80.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.6 | -174.9 | -160.9 | 67.9 | 0 | 0 | 0 | 113.3 | L181 V319 D321 I322 V337 D341 L342 | L181-I344 HydrophobicContact CD1-CG2 3.44Å; L181-I344 VanDerWaalsContact CD1-CG2 3.44Å; L181-I344 HydrophobicContact CD2-CG2 3.95Å; L181-I344 HydrophobicContact CG-CG2 4.35Å; V319-I344 HydrophobicContact CB-CG1 4.31Å; V319-I344 HydrophobicContact CG1-CD1 4.11Å; V319-I344 HydrophobicContact CG1-CG1 3.81Å; D321-I344 WeakPolarHBondContact O-CD1 3.4Å; I322-I344 HydrophobicContact CG1-CD1 4.13Å; V337-I344 HydrophobicContact CG1-CG2 4.27Å; D341-I344 HydrophobicContact CB-CB 4.2Å; D341-I344 HydrophobicContact CB-CD1 4.35Å; D341-I344 WeakPolarHBondContact O-CB 3.26Å; D341-I344 WeakPolarHBondContact O-CG2 3.18Å; L342-I344 VanDerWaalsContact C-N 3.3Å; L342-I344 PolarHBondContact O-N 2.98Å |
| 345 | L | 81.7 | Confident | 81.2 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 16.9 | 178 | -57 | -175.4 | 0 | 0 | 0 | 113.3 | W179 L181 V337 D343 R347 V348 V352 | W179-L345 HydrophobicContact CB-CD1 4.02Å; W179-L345 HydrophobicContact CD2-CD1 4.13Å; W179-L345 HydrophobicContact CE3-CD1 3.55Å; W179-L345 HydrophobicContact CE3-CD2 3.81Å; W179-L345 HydrophobicContact CE3-CG 4.34Å; W179-L345 HydrophobicContact CG-CD1 4.36Å; W179-L345 HydrophobicContact CZ3-CD1 4.37Å; W179-L345 HydrophobicContact CZ3-CD2 3.83Å; L181-L345 HydrophobicContact CB-CD1 4.09Å; V337-L345 HydrophobicContact CB-CD1 4.28Å; V337-L345 HydrophobicContact CG2-CD1 4.08Å; V337-L345 HydrophobicContact CG2-CD2 4.25Å; D343-L345 PolarHBondContact O-N 3.4Å; L345-R347 PolarHBondContact O-N 3.34Å; L345-V348 HydrophobicContact CB-CB 4.49Å; L345-V348 HydrophobicContact CB-CG2 3.95Å; L345-V348 HydrophobicContact CD2-CG2 4.05Å; L345-V348 WeakPolarHBondContact O-CB 3.48Å; L345-V348 PolarHBondContact O-N 3.49Å; L345-V348 VanDerWaalsContact O-N 3.13Å; L345-V352 HydrophobicContact CB-CG1 4.24Å; L345-V352 HydrophobicContact CB-CG2 3.87Å; L345-V352 HydrophobicContact CD1-CG1 3.71Å; L345-V352 HydrophobicContact CD1-CG2 4.21Å |
| 346 | E | 77.8 | Confident | 80.7 | Confident | 121 Ų | 121 | 46.2 Ų | 46.2 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30 | 179.9 | -169.5 | -174.9 | -172.5 | 0 | 0 | 112.6 | D343 V348 | D343-E346 HydrophobicContact CB-CB 4.23Å; D343-E346 VanDerWaalsContact O-CB 3.26Å; D343-E346 WeakPolarHBondContact O-CB 3.45Å; D343-E346 PolarHBondContact O-N 2.83Å; E346-V348 VanDerWaalsContact C-N 3.26Å; E346-V348 PolarHBondContact O-N 2.87Å |
| 347 | R | 73.6 | Confident | 79.8 | Confident | 125 Ų | 125 | 46.4 Ų | 46.4 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 5.3 | 178.6 | -63.5 | -170.7 | -176.4 | 170.3 | -0.9 | 114.5 | I322 E323 R326 L345 | I322-R347 HydrophobicContact CG2-CB 4.44Å; I322-R347 VanDerWaalsContact CG2-CD 3.49Å; I322-R347 HydrophobicContact CG2-CG 3.77Å; E323-R347 IonicContact OE1-CZ 3.98Å; E323-R347 IonicContact OE1-NH1 2.72Å; E323-R347 PolarHBondContact OE1-NH1 3.32Å; E323-R347 IonicContact OE2-NH1 3.19Å; R326-R347 HydrophobicContact CB-CB 4.15Å; R326-R347 HydrophobicContact CG-CB 4.49Å; L345-R347 PolarHBondContact O-N 3.34Å |
| 348 | V | 78.3 | Confident | 78.7 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | trans | -88.1 | 123.7 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | W179 L345 E346 T350 V352 | W179-V348 HydrophobicContact CD2-CG1 4.34Å; W179-V348 HydrophobicContact CG-CG1 4.26Å; W179-V348 HydrophobicContact CZ2-CG1 4.5Å; L345-V348 HydrophobicContact CB-CB 4.49Å; L345-V348 HydrophobicContact CB-CG2 3.95Å; L345-V348 HydrophobicContact CD2-CG2 4.05Å; L345-V348 WeakPolarHBondContact O-CB 3.48Å; L345-V348 PolarHBondContact O-N 3.49Å; L345-V348 VanDerWaalsContact O-N 3.13Å; E346-V348 VanDerWaalsContact C-N 3.26Å; E346-V348 PolarHBondContact O-N 2.87Å; V348-T350 VanDerWaalsContact C-N 3.29Å; V348-T350 WeakPolarHBondContact CG1-OG1 3.26Å; V348-T350 PolarHBondContact O-N 3.22Å; V348-V352 HydrophobicContact CB-CG2 4.37Å; V348-V352 HydrophobicContact CG1-CG2 4.48Å | ||
| 349 | E | 69.8 | Low | 77.6 | Confident | 176 Ų | 176 | 52.8 Ų | 52.8 | 82% | 0.822 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -71 | -24.7 | -177.4 | -64.4 | -179.1 | 179.6 | 0 | 0 | 113 | ||
| 350 | T | 73.1 | Confident | 76.7 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 17% | 0.172 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -81 | 147.5 | 177.5 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | N177 W179 V348 V352 | N177-T350 HydrophobicContact CB-CG2 4.4Å; W179-T350 PolarHBondContact NE1-OG1 2.78Å; V348-T350 VanDerWaalsContact C-N 3.29Å; V348-T350 WeakPolarHBondContact CG1-OG1 3.26Å; V348-T350 PolarHBondContact O-N 3.22Å; T350-V352 PolarHBondContact O-N 2.79Å |
| 351 | P | 74.6 | Confident | 76.5 | Confident | 102 Ų | 102 | 57.1 Ų | 57.1 | 66% | 0.662 | 28% | 0.28 | S | S | * | . | trans | -58.4 | 135.5 | 177.3 | 23.7 | -32.6 | 0 | 0 | 0 | 111.6 | ||||
| 352 | V | 81.8 | Confident | 76.4 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.6 | -179.1 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | W179 L181 L345 V348 T350 R354 | W179-V352 HydrophobicContact CB-CB 4.35Å; W179-V352 HydrophobicContact CB-CG1 4.15Å; W179-V352 HydrophobicContact CB-CG2 3.98Å; W179-V352 HydrophobicContact CG-CG2 4.47Å; L181-V352 HydrophobicContact CB-CG1 3.87Å; L345-V352 HydrophobicContact CB-CG1 4.24Å; L345-V352 HydrophobicContact CB-CG2 3.87Å; L345-V352 HydrophobicContact CD1-CG1 3.71Å; L345-V352 HydrophobicContact CD1-CG2 4.21Å; V348-V352 HydrophobicContact CB-CG2 4.37Å; V348-V352 HydrophobicContact CG1-CG2 4.48Å; T350-V352 PolarHBondContact O-N 2.79Å; V352-R354 HydrophobicContact CG1-CG 4.14Å |
| 353 | D | 85 | Confident | 76.3 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 136.2 | 169.1 | -167.8 | 16.1 | 0 | 0 | 0 | 109.6 | K134 W179 L180 L181 | K134-D353 VanDerWaalsContact CD-OD2 3.3Å; K134-D353 WeakPolarHBondContact CD-OD2 3.36Å; K134-D353 WeakPolarHBondContact CG-OD2 3.31Å; K134-D353 IonicContact NZ-OD1 3.61Å; K134-D353 PolarHBondContact NZ-OD1 2.84Å; K134-D353 IonicContact NZ-OD2 3.83Å; K134-D353 PolarHBondContact NZ-OD2 3.37Å; W179-D353 PolarHBondContact O-N 2.98Å; L180-D353 CarbonylContact C-O 3.56Å; L180-D353 WeakPolarHBondContact CA-O 3.45Å; L180-D353 HydrophobicContact CD1-CB 4.12Å; L181-D353 PolarHBondContact N-O 3.45Å |
| 354 | R | 85.6 | Confident | 76.1 | Confident | 106 Ų | 106 | 65.9 Ų | 65.9 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.6 | -172.5 | -60.4 | -179.4 | -177.7 | 163.1 | -2.2 | 110.5 | K134 L181 V352 | K134-R354 PolarHBondContact NZ-O 3.24Å; L181-R354 HydrophobicContact CB-CG 4.32Å; L181-R354 HydrophobicContact CD2-CG 4.38Å; L181-R354 CarbonylContact O-C 3.53Å; L181-R354 WeakPolarHBondContact O-CA 3.31Å; V352-R354 HydrophobicContact CG1-CG 4.14Å |
| 355 | L | 84.9 | Confident | 76.1 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 113.2 | 172.3 | -174.9 | 72.2 | 0 | 0 | 0 | 108.9 | L131 K134 L181 I182 H183 | L131-L355 HydrophobicContact CB-CD2 4.31Å; L131-L355 HydrophobicContact CD1-CD2 3.58Å; K134-L355 HydrophobicContact CD-CB 4.22Å; K134-L355 HydrophobicContact CD-CD1 4.14Å; L181-L355 PolarHBondContact O-N 3.13Å; I182-L355 WeakPolarHBondContact CA-O 3.06Å; I182-L355 HydrophobicContact CG1-CB 4.46Å; I182-L355 HydrophobicContact CG1-CD2 4.44Å; H183-L355 PolarHBondContact CD2-O 3.34Å; H183-L355 PolarHBondContact N-O 3.46Å |
| 356 | H | 80.1 | Confident | 76.1 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.1 | 173.6 | -172.4 | 47.5 | 0 | 0 | 0 | 110.1 | H183 H358 | H183-H356 AromaticContact CE1-CE1 3.93Å; H183-H356 AromaticContact CE1-CG 3.5Å; H183-H356 VanDerWaalsContact CE1-CG 3.5Å; H183-H356 AromaticContact CE1-ND1 2.98Å; H183-H356 PolarHBondContact CE1-ND1 3.02Å; H183-H356 AromaticContact ND1-ND1 3.33Å; H183-H356 PolarHBondContact ND1-ND1 3.09Å; H183-H356 WeakPolarHBondContact NE2-CB 3.38Å; H183-H356 AromaticContact NE2-CG 3.86Å; H183-H356 AromaticContact NE2-ND1 3.69Å; H183-H356 WeakPolarHBondContact O-CA 3.36Å; H183-H356 PolarHBondContact O-ND1 2.88Å; H356-H358 AromaticContact CD2-CE1 3.8Å; H356-H358 AromaticContact CD2-ND1 3.75Å |
| 357 | L | 74.2 | Confident | 76.1 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | trans | -91.8 | 112 | 173.6 | -76 | 174.5 | 0 | 0 | 0 | 110.8 | L127 I182 H183 K190 L193 | L127-L357 HydrophobicContact CD1-CD2 3.66Å; L127-L357 HydrophobicContact CD2-CD2 4.29Å; L127-L357 HydrophobicContact CG-CD2 4.46Å; I182-L357 HydrophobicContact CG2-CD1 3.41Å; I182-L357 VanDerWaalsContact CG2-CD1 3.41Å; I182-L357 HydrophobicContact CG2-CG 3.93Å; H183-L357 PolarHBondContact O-N 2.94Å; K190-L357 HydrophobicContact CB-CD1 4Å; K190-L357 HydrophobicContact CG-CD1 3.78Å; L193-L357 HydrophobicContact CD2-CD1 4.04Å; L193-L357 HydrophobicContact CD2-CD2 3.6Å; L193-L357 HydrophobicContact CD2-CG 4.45Å | ||
| 358 | H | 67 | Low | 76.5 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 56% | 0.56 | 30% | 0.296 | S | S | * | . | trans | -65.7 | 136.8 | 173 | -63.3 | -58.2 | 0 | 0 | 0 | 111.3 | R124 H356 | R124-H358 PolarHBondContact NH1-O 2.72Å; H356-H358 AromaticContact CD2-CE1 3.8Å; H356-H358 AromaticContact CD2-ND1 3.75Å | ||
| 359 | N | 64.8 | Low | 76.6 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -73.6 | -31.7 | -165.5 | -63.1 | -25 | 0 | 0 | 0 | 114.4 | S185 | S185-N359 VanDerWaalsContact CB-OD1 3.28Å; S185-N359 WeakPolarHBondContact CB-OD1 3.3Å; S185-N359 PolarHBondContact OG-OD1 3.34Å |
| 360 | D | 69 | Low | 77.1 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | trans | -101.3 | 113.9 | -160.8 | -46.8 | -18.6 | 0 | 0 | 0 | 111 | R124 H533 | R124-D360 PolarHBondContact NH2-O 3.03Å; D360-H533 IonicContact OD1-CD2 2.61Å; D360-H533 PolarHBondContact OD1-CD2 2.95Å; D360-H533 VanDerWaalsContact OD1-CD2 3.27Å; D360-H533 IonicContact OD1-NE2 3.14Å; D360-H533 PolarHBondContact OD1-NE2 3.04Å | ||
| 361 | L | 73.6 | Confident | 77.4 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | trans | -63.8 | 140.4 | 167.5 | -66.7 | 164.5 | 0 | 0 | 0 | 109.7 | R124 E365 V366 L369 G407 P409 V412 | R124-L361 HydrophobicContact CG-CD2 4.27Å; R124-L361 VanDerWaalsContact NH2-CA 3.27Å; R124-L361 VanDerWaalsContact NH2-N 3.1Å; L361-E365 VanDerWaalsContact CA-OE2 3.3Å; L361-E365 WeakPolarHBondContact CA-OE2 3.45Å; L361-E365 HydrophobicContact CB-CB 3.97Å; L361-E365 HydrophobicContact CD2-CB 3.93Å; L361-E365 WeakPolarHBondContact CD2-OE2 3.41Å; L361-E365 HydrophobicContact CG-CB 4.48Å; L361-V366 HydrophobicContact CB-CG2 3.77Å; L361-V366 HydrophobicContact CD1-CG2 4.39Å; L361-L369 HydrophobicContact CD1-CD1 3.46Å; L361-L369 VanDerWaalsContact CD1-CD1 3.46Å; L361-L369 HydrophobicContact CD2-CD1 4.18Å; L361-G407 WeakPolarHBondContact CB-O 3.4Å; L361-G407 WeakPolarHBondContact CD1-O 3.13Å; L361-G407 WeakPolarHBondContact CG-O 3.24Å; L361-G407 PolarHBondContact N-O 3.32Å; L361-P409 HydrophobicContact CD1-CB 3.92Å; L361-P409 HydrophobicContact CD1-CG 3.87Å; L361-P409 HydrophobicContact CD2-CG 4.09Å; L361-P409 HydrophobicContact CG-CB 4.43Å; L361-P409 HydrophobicContact CG-CG 3.85Å; L361-V412 HydrophobicContact CD1-CB 4.44Å; L361-V412 HydrophobicContact CD1-CG2 4.16Å | ||
| 362 | S | 74.7 | Confident | 77.6 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | trans | -66.4 | 159.3 | 170.6 | 68 | 0 | 0 | 0 | 0 | 110.7 | D364 E365 V366 | S362-D364 PolarHBondContact O-N 2.76Å; S362-E365 PolarHBondContact N-OE2 3.16Å; S362-E365 WeakPolarHBondContact O-CB 3.49Å; S362-E365 PolarHBondContact O-N 3.04Å; S362-E365 WeakPolarHBondContact OG-CB 3.41Å; S362-E365 VanDerWaalsContact OG-CG 3.23Å; S362-E365 WeakPolarHBondContact OG-CG 3.43Å; S362-E365 PolarHBondContact OG-N 3.36Å; S362-V366 WeakPolarHBondContact O-CG2 3.45Å; S362-V366 PolarHBondContact O-N 3.19Å | ||
| 363 | E | 75.2 | Confident | 77.2 | Confident | 100 Ų | 100 | 45.9 Ų | 45.9 | 47% | 0.467 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56 | -36.3 | 178 | -65.5 | -176.2 | 172 | 0 | 0 | 112.2 | V366 A367 | E363-V366 PolarHBondContact O-N 3.41Å; E363-A367 WeakPolarHBondContact O-CB 3.38Å; E363-A367 PolarHBondContact O-N 2.73Å |
| 364 | D | 73.5 | Confident | 76.7 | Confident | 122 Ų | 122 | 43.2 Ų | 43.2 | 65% | 0.652 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.6 | -40.9 | 175.4 | -62.2 | -37.1 | 0 | 0 | 0 | 112.1 | S362 A367 S368 M378 | S362-D364 PolarHBondContact O-N 2.76Å; D364-A367 PolarHBondContact O-N 3.46Å; D364-S368 WeakPolarHBondContact O-CB 3.43Å; D364-S368 PolarHBondContact O-N 2.98Å; D364-M378 WeakPolarHBondContact O-CE 3.42Å |
| 365 | E | 80 | Confident | 76 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 175.4 | -74 | 172.8 | 178.2 | 0 | 0 | 111.5 | R124 L361 S362 S368 L369 | R124-E365 IonicContact CZ-OE2 2.8Å; R124-E365 IonicContact NE-OE1 3.91Å; R124-E365 IonicContact NE-OE2 3.79Å; R124-E365 PolarHBondContact NE-OE2 3.4Å; R124-E365 IonicContact NH2-OE2 2.72Å; L361-E365 VanDerWaalsContact CA-OE2 3.3Å; L361-E365 WeakPolarHBondContact CA-OE2 3.45Å; L361-E365 HydrophobicContact CB-CB 3.97Å; L361-E365 HydrophobicContact CD2-CB 3.93Å; L361-E365 WeakPolarHBondContact CD2-OE2 3.41Å; L361-E365 HydrophobicContact CG-CB 4.48Å; S362-E365 PolarHBondContact N-OE2 3.16Å; S362-E365 WeakPolarHBondContact O-CB 3.49Å; S362-E365 PolarHBondContact O-N 3.04Å; S362-E365 WeakPolarHBondContact OG-CB 3.41Å; S362-E365 VanDerWaalsContact OG-CG 3.23Å; S362-E365 WeakPolarHBondContact OG-CG 3.43Å; S362-E365 PolarHBondContact OG-N 3.36Å; E365-S368 WeakPolarHBondContact O-CB 3.3Å; E365-S368 PolarHBondContact O-N 2.83Å; E365-L369 PolarHBondContact O-N 3.18Å |
| 366 | V | 81.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 174.5 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | L361 S362 E363 S368 L369 L370 L398 V412 | L361-V366 HydrophobicContact CB-CG2 3.77Å; L361-V366 HydrophobicContact CD1-CG2 4.39Å; S362-V366 WeakPolarHBondContact O-CG2 3.45Å; S362-V366 PolarHBondContact O-N 3.19Å; E363-V366 PolarHBondContact O-N 3.41Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.16Å; V366-L369 PolarHBondContact O-N 2.67Å; V366-L370 HydrophobicContact CG1-CD1 3.88Å; V366-L370 HydrophobicContact CG1-CG 4.44Å; V366-L370 WeakPolarHBondContact O-CB 3.12Å; V366-L370 WeakPolarHBondContact O-CG 3.17Å; V366-L370 PolarHBondContact O-N 2.83Å; V366-L398 HydrophobicContact CG1-CD1 4.48Å; V366-V412 HydrophobicContact CG1-CG1 4.06Å; V366-V412 HydrophobicContact CG1-CG2 4.12Å; V366-V412 HydrophobicContact CG2-CG2 4.09Å |
| 367 | A | 78.8 | Confident | 74.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E363 D364 L370 S371 M378 L398 | E363-A367 WeakPolarHBondContact O-CB 3.38Å; E363-A367 PolarHBondContact O-N 2.73Å; D364-A367 PolarHBondContact O-N 3.46Å; A367-L370 PolarHBondContact O-N 3.2Å; A367-S371 VanDerWaalsContact O-CB 3.25Å; A367-S371 WeakPolarHBondContact O-CB 3.47Å; A367-S371 PolarHBondContact O-N 3.26Å; A367-S371 PolarHBondContact O-OG 2.79Å; A367-M378 HydrophobicContact CB-CG 4.27Å; A367-L398 HydrophobicContact CB-CD1 3.86Å; A367-L398 HydrophobicContact CB-CD2 3.8Å; A367-L398 HydrophobicContact CB-CG 4.5Å |
| 368 | S | 81.2 | Confident | 74.4 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 176.7 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | N123 D364 E365 V366 S371 M372 | N123-S368 PolarHBondContact ND2-OG 2.83Å; N123-S368 VanDerWaalsContact ND2-OG 3.15Å; D364-S368 WeakPolarHBondContact O-CB 3.43Å; D364-S368 PolarHBondContact O-N 2.98Å; E365-S368 WeakPolarHBondContact O-CB 3.3Å; E365-S368 PolarHBondContact O-N 2.83Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.16Å; S368-S371 PolarHBondContact O-N 3.12Å; S368-S371 PolarHBondContact O-OG 3.29Å; S368-M372 WeakPolarHBondContact O-CB 3.42Å; S368-M372 PolarHBondContact O-N 3.48Å |
| 369 | L | 80 | Confident | 74.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 178.8 | -85 | 159.7 | 0 | 0 | 0 | 111.8 | R120 L361 E365 V366 S371 M372 W373 V412 | R120-L369 WeakPolarHBondContact O-CD2 3.44Å; L361-L369 HydrophobicContact CD1-CD1 3.46Å; L361-L369 VanDerWaalsContact CD1-CD1 3.46Å; L361-L369 HydrophobicContact CD2-CD1 4.18Å; E365-L369 PolarHBondContact O-N 3.18Å; V366-L369 PolarHBondContact O-N 2.67Å; L369-S371 PolarHBondContact O-N 3.03Å; L369-M372 PolarHBondContact O-N 3.46Å; L369-W373 VanDerWaalsContact O-CD1 3.28Å; L369-W373 PolarHBondContact O-N 3.09Å; L369-V412 HydrophobicContact CB-CG1 3.93Å |
| 370 | L | 80.7 | Confident | 74 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 178.3 | -71.2 | 172.5 | 0 | 0 | 0 | 112.4 | V366 A367 M372 W373 T374 F381 L398 I401 V412 L419 | V366-L370 HydrophobicContact CG1-CD1 3.88Å; V366-L370 HydrophobicContact CG1-CG 4.44Å; V366-L370 WeakPolarHBondContact O-CB 3.12Å; V366-L370 WeakPolarHBondContact O-CG 3.17Å; V366-L370 PolarHBondContact O-N 2.83Å; A367-L370 PolarHBondContact O-N 3.2Å; L370-M372 VanDerWaalsContact C-N 3.3Å; L370-M372 PolarHBondContact O-N 2.67Å; L370-W373 PolarHBondContact O-N 3.46Å; L370-T374 WeakPolarHBondContact O-CB 3.4Å; L370-T374 WeakPolarHBondContact O-CG2 3.32Å; L370-T374 PolarHBondContact O-N 3.39Å; L370-T374 PolarHBondContact O-OG1 3.26Å; L370-F381 HydrophobicContact CB-CE1 4.49Å; L370-F381 HydrophobicContact CB-CE2 4.33Å; L370-F381 HydrophobicContact CB-CZ 4.25Å; L370-L398 HydrophobicContact CD1-CD1 4.29Å; L370-I401 HydrophobicContact CD1-CD1 4.43Å; L370-I401 HydrophobicContact CD1-CG2 3.82Å; L370-V412 HydrophobicContact CD2-CG1 4.24Å; L370-V412 HydrophobicContact CG-CG1 4.11Å; L370-L419 HydrophobicContact CD2-CD1 4.4Å |
| 371 | S | 79.6 | Confident | 73.3 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 175.1 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | A367 S368 L369 G375 Y376 | A367-S371 VanDerWaalsContact O-CB 3.25Å; A367-S371 WeakPolarHBondContact O-CB 3.47Å; A367-S371 PolarHBondContact O-N 3.26Å; A367-S371 PolarHBondContact O-OG 2.79Å; S368-S371 PolarHBondContact O-N 3.12Å; S368-S371 PolarHBondContact O-OG 3.29Å; L369-S371 PolarHBondContact O-N 3.03Å; S371-G375 VanDerWaalsContact O-CA 3.29Å; S371-G375 WeakPolarHBondContact O-CA 3.41Å; S371-G375 PolarHBondContact O-N 3.5Å; S371-Y376 VanDerWaalsContact CA-O 3.3Å; S371-Y376 WeakPolarHBondContact CA-O 3.48Å; S371-Y376 WeakPolarHBondContact CB-O 3.35Å |
| 372 | M | 78.2 | Confident | 72.1 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.8 | -29 | -179.1 | -176.5 | 162.3 | 35.3 | 0 | 0 | 113.4 | T119 R120 S368 L369 L370 | T119-M372 WeakPolarHBondContact O-CE 3.4Å; R120-M372 HydrophobicContact CG-CG 4.12Å; R120-M372 HydrophobicContact CG-SD 4.22Å; S368-M372 WeakPolarHBondContact O-CB 3.42Å; S368-M372 PolarHBondContact O-N 3.48Å; L369-M372 PolarHBondContact O-N 3.46Å; L370-M372 VanDerWaalsContact C-N 3.3Å; L370-M372 PolarHBondContact O-N 2.67Å |
| 373 | W | 74.5 | Confident | 70.3 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.8 | -58 | 170 | -84.6 | 97.6 | 0 | 0 | 0 | 111.3 | R120 Y121 L369 L370 G375 S417 Y420 | R120-W373 HydrophobicContact CB-CZ2 4.37Å; R120-W373 PolarHBondContact O-NE1 3.22Å; Y121-W373 HydrophobicContact CD1-CZ2 4.3Å; Y121-W373 HydrophobicContact CE1-CH2 4.32Å; Y121-W373 AromaticContact CE1-CZ2 3.84Å; Y121-W373 HydrophobicContact CE1-CZ2 3.84Å; Y121-W373 HydrophobicContact CE2-CZ2 4.21Å; Y121-W373 AromaticContact CZ-CZ2 3.8Å; L369-W373 VanDerWaalsContact O-CD1 3.28Å; L369-W373 PolarHBondContact O-N 3.09Å; L370-W373 PolarHBondContact O-N 3.46Å; W373-G375 PolarHBondContact O-N 3.16Å; W373-S417 VanDerWaalsContact CE3-CA 3.49Å; W373-S417 VanDerWaalsContact CZ3-CB 3.44Å; W373-Y420 HydrophobicContact CE3-CD2 4.26Å; W373-Y420 WeakPolarHBondContact O-CD2 3.34Å; W373-Y420 VanDerWaalsContact O-CE2 3.24Å; W373-Y420 WeakPolarHBondContact O-CE2 3.44Å |
| 374 | T | 74.6 | Confident | 68.3 | Low | 14 Ų | 14 | 56.8 Ų | 56.8 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.2 | -21.8 | -169 | 63 | 0 | 0 | 0 | 0 | 113.3 | L370 Y376 F381 L419 I423 | L370-T374 WeakPolarHBondContact O-CB 3.4Å; L370-T374 WeakPolarHBondContact O-CG2 3.32Å; L370-T374 PolarHBondContact O-N 3.39Å; L370-T374 PolarHBondContact O-OG1 3.26Å; T374-Y376 WeakPolarHBondContact O-CD2 3.14Å; T374-Y376 PolarHBondContact O-N 2.97Å; T374-Y376 PolarHBondContact OG1-N 2.85Å; T374-F381 HydrophobicContact CG2-CZ 4.06Å; T374-F381 WeakPolarHBondContact OG1-CZ 3.37Å; T374-L419 HydrophobicContact CG2-CB 3.79Å; T374-I423 HydrophobicContact CG2-CD1 4.43Å |
| 375 | G | 69.4 | Low | 66.3 | Low | 70 Ų | 70 | 56 Ų | 56 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | trans | 78.5 | -1.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S371 W373 | S371-G375 VanDerWaalsContact O-CA 3.29Å; S371-G375 WeakPolarHBondContact O-CA 3.41Å; S371-G375 PolarHBondContact O-N 3.5Å; W373-G375 PolarHBondContact O-N 3.16Å | ||
| 376 | Y | 71 | Confident | 64 | Low | 113 Ų | 113 | 59.9 Ų | 59.9 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | trans | -76.8 | 150.3 | 174.4 | -72.5 | -103.9 | 0 | 0 | 0 | 109.9 | S371 T374 I423 | S371-Y376 VanDerWaalsContact CA-O 3.3Å; S371-Y376 WeakPolarHBondContact CA-O 3.48Å; S371-Y376 WeakPolarHBondContact CB-O 3.35Å; T374-Y376 WeakPolarHBondContact O-CD2 3.14Å; T374-Y376 PolarHBondContact O-N 2.97Å; T374-Y376 PolarHBondContact OG1-N 2.85Å; Y376-I423 HydrophobicContact CD1-CD1 4.41Å; Y376-I423 HydrophobicContact CD2-CD1 3.57Å; Y376-I423 HydrophobicContact CE1-CD1 4.17Å; Y376-I423 HydrophobicContact CE2-CD1 3.24Å; Y376-I423 HydrophobicContact CE2-CG1 4.43Å; Y376-I423 HydrophobicContact CG-CD1 4.16Å | ||
| 377 | S | 67.9 | Low | 61.4 | Low | 56 Ų | 56 | 64.6 Ų | 64.6 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | trans | -68.9 | 151.2 | 178.5 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | E379 Q380 | S377-E379 PolarHBondContact O-N 3.46Å; S377-E379 VanDerWaalsContact O-N 3.16Å; S377-Q380 WeakPolarHBondContact O-CB 3.42Å; S377-Q380 PolarHBondContact O-N 3.4Å; S377-Q380 WeakPolarHBondContact OG-CG 3.48Å | ||
| 378 | M | 67.7 | Low | 59 | Low | 77 Ų | 77 | 69.8 Ų | 69.8 | 38% | 0.379 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -51.2 | -38.9 | 173.2 | -84.2 | -177.2 | 160.7 | 0 | 0 | 111.9 | D364 A367 Q380 F381 I382 | D364-M378 WeakPolarHBondContact O-CE 3.42Å; A367-M378 HydrophobicContact CB-CG 4.27Å; M378-Q380 PolarHBondContact O-N 3.28Å; M378-F381 PolarHBondContact O-N 3.06Å; M378-F381 VanDerWaalsContact O-N 3.15Å; M378-I382 WeakPolarHBondContact O-CG1 3.34Å; M378-I382 PolarHBondContact O-N 3.34Å |
| 379 | E | 60.6 | Low | 56.4 | Low | 153 Ų | 153 | 77.3 Ų | 77.3 | 72% | 0.715 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61 | -29.1 | 179.8 | -63.6 | -178.3 | 174.5 | 0 | 0 | 113.2 | S377 F381 I382 | S377-E379 PolarHBondContact O-N 3.46Å; S377-E379 VanDerWaalsContact O-N 3.16Å; E379-F381 VanDerWaalsContact C-N 3.29Å; E379-F381 PolarHBondContact O-N 3.23Å; E379-I382 PolarHBondContact O-N 3.05Å |
| 380 | Q | 61.8 | Low | 53.9 | Low | 124 Ų | 124 | 84.8 Ų | 84.8 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.1 | -20.9 | 178.8 | -75.6 | 170 | -30.8 | 0 | 0 | 113.4 | S377 M378 | S377-Q380 WeakPolarHBondContact O-CB 3.42Å; S377-Q380 PolarHBondContact O-N 3.4Å; S377-Q380 WeakPolarHBondContact OG-CG 3.48Å; M378-Q380 PolarHBondContact O-N 3.28Å |
| 381 | F | 55.2 | Low | 51.3 | Low | 29 Ų | 29 | 92.1 Ų | 92.1 | 13% | 0.127 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -86.6 | -21.4 | 172.7 | -65.8 | -78.5 | 0 | 0 | 0 | 112.2 | L370 T374 M378 E379 L398 | L370-F381 HydrophobicContact CB-CE1 4.49Å; L370-F381 HydrophobicContact CB-CE2 4.33Å; L370-F381 HydrophobicContact CB-CZ 4.25Å; T374-F381 HydrophobicContact CG2-CZ 4.06Å; T374-F381 WeakPolarHBondContact OG1-CZ 3.37Å; M378-F381 PolarHBondContact O-N 3.06Å; M378-F381 VanDerWaalsContact O-N 3.15Å; E379-F381 VanDerWaalsContact C-N 3.29Å; E379-F381 PolarHBondContact O-N 3.23Å; F381-L398 HydrophobicContact CB-CB 4.27Å; F381-L398 HydrophobicContact CB-CD1 4.05Å; F381-L398 WeakPolarHBondContact O-CB 3.45Å; F381-L398 PolarHBondContact O-N 2.98Å |
| 382 | I | 47.9 | Very low | 49.3 | Very low | 84 Ų | 84 | 100.8 Ų | 100.8 | 43% | 0.431 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -84 | 120 | 179 | -59.2 | 166.7 | 0 | 0 | 0 | 107.8 | M378 E379 S384 L398 | M378-I382 WeakPolarHBondContact O-CG1 3.34Å; M378-I382 PolarHBondContact O-N 3.34Å; E379-I382 PolarHBondContact O-N 3.05Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 3.49Å; I382-L398 HydrophobicContact CG1-CD2 4.18Å |
| 383 | P | 36.6 | Very low | 47.2 | Very low | 87 Ų | 87 | 104 Ų | 104 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | trans | -67.3 | 91.8 | -179.6 | -12.3 | 25.9 | 0 | 0 | 0 | 110.3 | S385 | P383-S385 PolarHBondContact O-N 2.89Å; P383-S385 VanDerWaalsContact O-N 3.15Å | ||
| 384 | S | 32.9 | Very low | 45.4 | Very low | 82 Ų | 82 | 108 Ų | 108 | 57% | 0.573 | 60% | 0.6 | S | S | * | * | trans | -76.2 | 99.8 | 164.3 | 60.5 | 0 | 0 | 0 | 0 | 107.4 | I382 K386 | I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 3.49Å; S384-K386 PolarHBondContact O-N 3.49Å | ||
| 385 | S | 32.9 | Very low | 44 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 74% | 0.741 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -47.2 | 114.6 | 167.6 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | P383 | P383-S385 PolarHBondContact O-N 2.89Å; P383-S385 VanDerWaalsContact O-N 3.15Å |
| 386 | K | 30.8 | Very low | 43.3 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | trans | 117 | 71.4 | 176.4 | -65 | 172 | -178.3 | -165.9 | 0 | 114.2 | S384 | S384-K386 PolarHBondContact O-N 3.49Š| ||
| 387 | S | 27.9 | Very low | 42.8 | Very low | 99 Ų | 99 | 108.6 Ų | 108.6 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | trans | -171.8 | 70.5 | 141.6 | 60.9 | 0 | 0 | 0 | 0 | 108.8 | Q389 | S387-Q389 PolarHBondContact O-N 3.03Š| ||
| 388 | S | 27.3 | Very low | 42.7 | Very low | 112 Ų | 112 | 106.4 Ų | 106.4 | 78% | 0.783 | 58% | 0.582 | S | S | * | * | trans | -82.8 | 85.1 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 389 | Q | 27.5 | Very low | 42.4 | Very low | 178 Ų | 178 | 105.1 Ų | 105.1 | 83% | 0.832 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -169 | 121 | 155.8 | -104.8 | 162.6 | 45.7 | 0 | 0 | 108.2 | S387 | S387-Q389 PolarHBondContact O-N 3.03Š|
| 390 | N | 26.6 | Very low | 42.6 | Very low | 156 Ų | 156 | 99 Ų | 99 | 83% | 0.834 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 96.2 | 52.3 | 176.4 | -51.2 | -25.9 | 0 | 0 | 0 | 118 | ||
| 391 | L | 25.6 | Very low | 43.1 | Very low | 154 Ų | 154 | 93.5 Ų | 93.5 | 81% | 0.806 | 53% | 0.529 | S | S | * | . | trans | -162.1 | 115.1 | 140.8 | -95.5 | 156.4 | 0 | 0 | 0 | 106.4 | D393 | L391-D393 PolarHBondContact O-N 3.23Š| ||
| 392 | K | 38.2 | Very low | 43.8 | Very low | 206 Ų | 206 | 92.7 Ų | 92.7 | 90% | 0.896 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -74.6 | -3.6 | -169.1 | -90.9 | -174.8 | 174.9 | -178.1 | 0 | 115.2 | ||
| 393 | D | 34.1 | Very low | 44.8 | Very low | 132 Ų | 132 | 94 Ų | 94 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | trans | -121.7 | 69.3 | -177.4 | -63.5 | -35.2 | 0 | 0 | 0 | 111 | L391 D395 | L391-D393 PolarHBondContact O-N 3.23Å; D393-D395 PolarHBondContact O-N 2.9Å | ||
| 394 | S | 36.4 | Very low | 46.3 | Very low | 108 Ų | 108 | 90.9 Ų | 90.9 | 76% | 0.755 | 51% | 0.509 | S | S | * | . | trans | -73.6 | 26.8 | -170.2 | 54 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 395 | D | 46 | Very low | 48.2 | Very low | 109 Ų | 109 | 87 Ų | 87 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | trans | -108.7 | 3.6 | -159.4 | -103.9 | 31.8 | 0 | 0 | 0 | 116.5 | D393 K439 | D393-D395 PolarHBondContact O-N 2.9Å; D395-K439 IonicContact OD2-NZ 2.72Å; D395-K439 PolarHBondContact OD2-NZ 2.81Å | ||
| 396 | I | 53.6 | Low | 49.9 | Very low | 55 Ų | 55 | 84.5 Ų | 84.5 | 28% | 0.282 | 46% | 0.457 | S | S | . | . | trans | -128.6 | 94.8 | -174.7 | -47.6 | 176.1 | 0 | 0 | 0 | 110.6 | A400 I401 L426 V430 | I396-A400 HydrophobicContact CG2-CB 4.43Å; I396-I401 HydrophobicContact CG2-CD1 4.13Å; I396-I401 HydrophobicContact CG2-CG1 3.62Å; I396-L426 HydrophobicContact CB-CD2 4.26Å; I396-L426 HydrophobicContact CD1-CB 4.2Å; I396-L426 HydrophobicContact CD1-CD2 3.58Å; I396-L426 HydrophobicContact CD1-CG 3.65Å; I396-L426 HydrophobicContact CG2-CD2 3.78Å; I396-V430 HydrophobicContact CD1-CG2 4.35Å | ||
| 397 | S | 62.3 | Low | 51.9 | Low | 46 Ų | 46 | 78.4 Ų | 78.4 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | trans | -82.1 | 158 | 174 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | P399 A400 I401 | S397-P399 VanDerWaalsContact C-CD 3.49Å; S397-P399 VanDerWaalsContact C-N 3.33Å; S397-A400 WeakPolarHBondContact O-CA 3.26Å; S397-A400 VanDerWaalsContact O-CB 3.31Å; S397-A400 WeakPolarHBondContact O-CB 3.38Å; S397-A400 PolarHBondContact O-N 2.81Å; S397-I401 PolarHBondContact O-N 3.27Å; S397-I401 VanDerWaalsContact O-N 3.1Å | ||
| 398 | L | 64.7 | Low | 54.3 | Low | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -52.1 | -41.8 | 173.5 | 177.7 | 79.5 | 0 | 0 | 0 | 113.5 | V366 A367 L370 F381 I382 A400 I401 S402 | V366-L398 HydrophobicContact CG1-CD1 4.48Å; A367-L398 HydrophobicContact CB-CD1 3.86Å; A367-L398 HydrophobicContact CB-CD2 3.8Å; A367-L398 HydrophobicContact CB-CG 4.5Å; L370-L398 HydrophobicContact CD1-CD1 4.29Å; F381-L398 HydrophobicContact CB-CB 4.27Å; F381-L398 HydrophobicContact CB-CD1 4.05Å; F381-L398 WeakPolarHBondContact O-CB 3.45Å; F381-L398 PolarHBondContact O-N 2.98Å; I382-L398 HydrophobicContact CG1-CD2 4.18Å; L398-A400 VanDerWaalsContact C-N 3.27Å; L398-A400 PolarHBondContact O-N 3.25Å; L398-I401 PolarHBondContact O-N 3.14Å; L398-I401 VanDerWaalsContact O-N 3.13Å; L398-S402 WeakPolarHBondContact O-CB 3.45Å; L398-S402 PolarHBondContact O-N 3.23Å |
| 399 | P | 62 | Low | 56.6 | Low | 49 Ų | 49 | 68.5 Ų | 68.5 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.5 | -37.8 | 172.8 | -26.7 | 35.1 | 0 | 0 | 0 | 113.1 | S397 S402 Q403 | S397-P399 VanDerWaalsContact C-CD 3.49Å; S397-P399 VanDerWaalsContact C-N 3.33Å; P399-S402 PolarHBondContact O-N 3.27Å; P399-Q403 WeakPolarHBondContact O-CB 3.31Å; P399-Q403 WeakPolarHBondContact O-CG 3.32Å; P399-Q403 PolarHBondContact O-N 3.29Å |
| 400 | A | 64.7 | Low | 59 | Low | 24 Ų | 24 | 61 Ų | 61 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I396 S397 L398 Q403 M404 | I396-A400 HydrophobicContact CG2-CB 4.43Å; S397-A400 WeakPolarHBondContact O-CA 3.26Å; S397-A400 VanDerWaalsContact O-CB 3.31Å; S397-A400 WeakPolarHBondContact O-CB 3.38Å; S397-A400 PolarHBondContact O-N 2.81Å; L398-A400 VanDerWaalsContact C-N 3.27Å; L398-A400 PolarHBondContact O-N 3.25Å; A400-Q403 PolarHBondContact O-N 2.98Å; A400-M404 WeakPolarHBondContact O-CB 3.26Å; A400-M404 WeakPolarHBondContact O-CG 3.28Å; A400-M404 PolarHBondContact O-N 3.02Å |
| 401 | I | 71 | Confident | 61.3 | Low | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.1 | -59.2 | 173.1 | 0 | 0 | 0 | 111.1 | L370 I396 S397 L398 M404 T405 L415 L426 | L370-I401 HydrophobicContact CD1-CD1 4.43Å; L370-I401 HydrophobicContact CD1-CG2 3.82Å; I396-I401 HydrophobicContact CG2-CD1 4.13Å; I396-I401 HydrophobicContact CG2-CG1 3.62Å; S397-I401 PolarHBondContact O-N 3.27Å; S397-I401 VanDerWaalsContact O-N 3.1Å; L398-I401 PolarHBondContact O-N 3.14Å; L398-I401 VanDerWaalsContact O-N 3.13Å; I401-M404 PolarHBondContact O-N 2.86Å; I401-T405 HydrophobicContact CG2-CG2 4.39Å; I401-T405 WeakPolarHBondContact O-CB 3.16Å; I401-T405 WeakPolarHBondContact O-CG2 3.47Å; I401-T405 PolarHBondContact O-N 3.04Å; I401-T405 PolarHBondContact O-OG1 2.54Å; I401-L415 HydrophobicContact CG2-CD2 3.5Å; I401-L415 VanDerWaalsContact CG2-CD2 3.5Å; I401-L426 HydrophobicContact CD1-CD2 4.45Å |
| 402 | S | 71.5 | Confident | 63.9 | Low | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | L398 P399 M404 T405 Y406 | L398-S402 WeakPolarHBondContact O-CB 3.45Å; L398-S402 PolarHBondContact O-N 3.23Å; P399-S402 PolarHBondContact O-N 3.27Å; S402-M404 PolarHBondContact O-N 3.07Å; S402-T405 PolarHBondContact O-N 2.88Å; S402-T405 PolarHBondContact O-OG1 3.1Å; S402-Y406 WeakPolarHBondContact O-CA 3.43Å; S402-Y406 PolarHBondContact O-N 3.41Å |
| 403 | Q | 68 | Low | 65.8 | Low | 110 Ų | 110 | 36.7 Ų | 36.7 | 51% | 0.514 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.4 | -79.1 | -179.3 | -5.6 | 0 | 0 | 112.2 | P399 A400 T405 Y406 | P399-Q403 WeakPolarHBondContact O-CB 3.31Å; P399-Q403 WeakPolarHBondContact O-CG 3.32Å; P399-Q403 PolarHBondContact O-N 3.29Å; A400-Q403 PolarHBondContact O-N 2.98Å; Q403-T405 VanDerWaalsContact C-N 3.31Å; Q403-T405 PolarHBondContact O-N 2.82Å; Q403-Y406 WeakPolarHBondContact O-CD2 3.47Å; Q403-Y406 WeakPolarHBondContact O-CE2 3.31Å; Q403-Y406 PolarHBondContact O-N 3.34Å |
| 404 | M | 69.2 | Low | 67.7 | Low | 22 Ų | 22 | 30.8 Ų | 30.8 | 11% | 0.108 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -29.3 | 179.3 | -72.5 | 172 | 164.6 | 0 | 0 | 113.4 | A400 I401 S402 V430 K439 L441 | A400-M404 WeakPolarHBondContact O-CB 3.26Å; A400-M404 WeakPolarHBondContact O-CG 3.28Å; A400-M404 PolarHBondContact O-N 3.02Å; I401-M404 PolarHBondContact O-N 2.86Å; S402-M404 PolarHBondContact O-N 3.07Å; M404-V430 HydrophobicContact CE-CG1 3.81Å; M404-V430 HydrophobicContact CE-CG2 4.18Å; M404-V430 HydrophobicContact SD-CG2 4.45Å; M404-K439 HydrophobicContact CE-CB 3.55Å; M404-K439 WeakPolarHBondContact CE-O 3.39Å; M404-L441 HydrophobicContact CB-CD1 3.75Å; M404-L441 HydrophobicContact CG-CD1 4.35Å; M404-L441 HydrophobicContact SD-CD1 3.9Å; M404-L441 HydrophobicContact SD-CG 4.39Å |
| 405 | T | 71.1 | Confident | 69.6 | Low | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -95.8 | -9.8 | 179 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | I401 S402 Q403 G407 L408 V412 L415 W443 I535 | I401-T405 HydrophobicContact CG2-CG2 4.39Å; I401-T405 WeakPolarHBondContact O-CB 3.16Å; I401-T405 WeakPolarHBondContact O-CG2 3.47Å; I401-T405 PolarHBondContact O-N 3.04Å; I401-T405 PolarHBondContact O-OG1 2.54Å; S402-T405 PolarHBondContact O-N 2.88Å; S402-T405 PolarHBondContact O-OG1 3.1Å; Q403-T405 VanDerWaalsContact C-N 3.31Å; Q403-T405 PolarHBondContact O-N 2.82Å; T405-G407 PolarHBondContact O-N 2.99Å; T405-L408 PolarHBondContact O-N 3.26Å; T405-V412 HydrophobicContact CG2-CG2 4.19Å; T405-L415 HydrophobicContact CG2-CD2 4.09Å; T405-W443 HydrophobicContact CG2-CH2 4.04Å; T405-W443 HydrophobicContact CG2-CZ2 4.17Å; T405-I535 WeakPolarHBondContact O-CD1 3.49Å |
| 406 | Y | 70.5 | Confident | 71 | Confident | 54 Ų | 54 | 20.5 Ų | 20.5 | 21% | 0.212 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 30.4 | -170.2 | -58 | -87.3 | 0 | 0 | 0 | 113.8 | S402 Q403 L408 P484 G534 I535 D538 | S402-Y406 WeakPolarHBondContact O-CA 3.43Å; S402-Y406 PolarHBondContact O-N 3.41Å; Q403-Y406 WeakPolarHBondContact O-CD2 3.47Å; Q403-Y406 WeakPolarHBondContact O-CE2 3.31Å; Q403-Y406 PolarHBondContact O-N 3.34Å; Y406-L408 VanDerWaalsContact C-N 3.25Å; Y406-L408 PolarHBondContact O-N 2.8Å; Y406-P484 HydrophobicContact CD1-CB 4.19Å; Y406-P484 HydrophobicContact CE1-CB 3.48Å; Y406-P484 VanDerWaalsContact CE1-CB 3.48Å; Y406-P484 HydrophobicContact CE1-CG 3.6Å; Y406-G534 VanDerWaalsContact CE2-C 3.43Å; Y406-I535 HydrophobicContact CD2-CB 4.49Å; Y406-I535 HydrophobicContact CD2-CG1 3.65Å; Y406-I535 VanDerWaalsContact CD2-N 3.33Å; Y406-I535 HydrophobicContact CE2-CG1 4.48Å; Y406-I535 HydrophobicContact CG-CG1 4.45Å; Y406-D538 WeakPolarHBondContact CE2-OD2 3.48Å; Y406-D538 PolarHBondContact OH-OD1 3.25Å; Y406-D538 PolarHBondContact OH-OD2 3.42Å; Y406-D538 VanDerWaalsContact OH-OD2 3.09Å |
| 407 | G | 72.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 12.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L361 T405 P409 | L361-G407 WeakPolarHBondContact CB-O 3.4Å; L361-G407 WeakPolarHBondContact CD1-O 3.13Å; L361-G407 WeakPolarHBondContact CG-O 3.24Å; L361-G407 PolarHBondContact N-O 3.32Å; T405-G407 PolarHBondContact O-N 2.99Å; G407-P409 VanDerWaalsContact O-CD 3.3Å; G407-P409 WeakPolarHBondContact O-CD 3.48Å |
| 408 | L | 77.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -68.2 | 120.5 | 178.1 | -168.9 | 80.1 | 0 | 0 | 0 | 110.1 | T405 Y406 F410 A411 V412 V457 F461 I535 | T405-L408 PolarHBondContact O-N 3.26Å; Y406-L408 VanDerWaalsContact C-N 3.25Å; Y406-L408 PolarHBondContact O-N 2.8Å; L408-F410 VanDerWaalsContact C-N 3.3Å; L408-F410 HydrophobicContact CD2-CB 4.39Å; L408-F410 PolarHBondContact O-N 3.48Å; L408-A411 HydrophobicContact CB-CB 3.92Å; L408-A411 HydrophobicContact CD2-CB 4.24Å; L408-A411 WeakPolarHBondContact O-CB 3.14Å; L408-A411 PolarHBondContact O-N 3.33Å; L408-V412 WeakPolarHBondContact O-CG2 3.06Å; L408-V412 PolarHBondContact O-N 3.28Å; L408-V457 HydrophobicContact CD2-CG1 4.29Å; L408-F461 HydrophobicContact CD2-CZ 4.31Å; L408-I535 HydrophobicContact CB-CD1 3.52Å; L408-I535 HydrophobicContact CD2-CD1 3.73Å; L408-I535 HydrophobicContact CG-CD1 4.22Å | ||
| 409 | P | 76.1 | Confident | 72.6 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.4 | -41.2 | -174.6 | -22.9 | 28.4 | 0 | 0 | 0 | 114.2 | I122 L361 G407 V412 S413 | I122-P409 HydrophobicContact CD1-CB 4Å; I122-P409 HydrophobicContact CD1-CG 4.05Å; I122-P409 HydrophobicContact CG1-CB 3.64Å; I122-P409 HydrophobicContact CG1-CG 4.09Å; L361-P409 HydrophobicContact CD1-CB 3.92Å; L361-P409 HydrophobicContact CD1-CG 3.87Å; L361-P409 HydrophobicContact CD2-CG 4.09Å; L361-P409 HydrophobicContact CG-CB 4.43Å; L361-P409 HydrophobicContact CG-CG 3.85Å; G407-P409 VanDerWaalsContact O-CD 3.3Å; G407-P409 WeakPolarHBondContact O-CD 3.48Å; P409-V412 PolarHBondContact O-N 2.94Å; P409-S413 WeakPolarHBondContact O-CB 3.45Å; P409-S413 PolarHBondContact O-N 3.03Å; P409-S413 PolarHBondContact O-OG 3.25Å |
| 410 | F | 77.2 | Confident | 73.1 | Confident | 21 Ų | 21 | 20.1 Ų | 20.1 | 9% | 0.092 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.4 | -178.4 | -117.2 | 0 | 0 | 0 | 112 | G187 L408 S413 L414 Y452 V457 | G187-F410 VanDerWaalsContact O-CB 3.28Å; G187-F410 WeakPolarHBondContact O-CB 3.41Å; G187-F410 PolarHBondContact O-N 3.46Å; L408-F410 VanDerWaalsContact C-N 3.3Å; L408-F410 HydrophobicContact CD2-CB 4.39Å; L408-F410 PolarHBondContact O-N 3.48Å; F410-S413 PolarHBondContact O-N 3.01Å; F410-S413 PolarHBondContact O-OG 3.45Å; F410-L414 HydrophobicContact CE2-CD1 4.44Å; F410-L414 HydrophobicContact CZ-CD1 4.17Å; F410-L414 WeakPolarHBondContact O-CB 3.35Å; F410-L414 PolarHBondContact O-N 3.42Å; F410-Y452 HydrophobicContact CE2-CD2 4.47Å; F410-V457 HydrophobicContact CD1-CB 4.37Å; F410-V457 HydrophobicContact CD1-CG2 3.66Å; F410-V457 HydrophobicContact CE1-CB 4.21Å; F410-V457 HydrophobicContact CE1-CG2 3.58Å |
| 411 | A | 76.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L408 S413 L414 L415 W443 I535 | L408-A411 HydrophobicContact CB-CB 3.92Å; L408-A411 HydrophobicContact CD2-CB 4.24Å; L408-A411 WeakPolarHBondContact O-CB 3.14Å; L408-A411 PolarHBondContact O-N 3.33Å; A411-S413 PolarHBondContact O-N 3.5Å; A411-L414 PolarHBondContact O-N 3.27Å; A411-L415 WeakPolarHBondContact O-CB 3.3Å; A411-L415 PolarHBondContact O-N 2.9Å; A411-W443 HydrophobicContact CB-CH2 3.48Å; A411-W443 VanDerWaalsContact CB-CH2 3.48Å; A411-W443 HydrophobicContact CB-CZ2 3.97Å; A411-W443 HydrophobicContact CB-CZ3 3.91Å; A411-I535 HydrophobicContact CB-CD1 3.72Å |
| 412 | V | 79.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | L361 V366 L369 L370 T405 L408 P409 L415 G416 | L361-V412 HydrophobicContact CD1-CB 4.44Å; L361-V412 HydrophobicContact CD1-CG2 4.16Å; V366-V412 HydrophobicContact CG1-CG1 4.06Å; V366-V412 HydrophobicContact CG1-CG2 4.12Å; V366-V412 HydrophobicContact CG2-CG2 4.09Å; L369-V412 HydrophobicContact CB-CG1 3.93Å; L370-V412 HydrophobicContact CD2-CG1 4.24Å; L370-V412 HydrophobicContact CG-CG1 4.11Å; T405-V412 HydrophobicContact CG2-CG2 4.19Å; L408-V412 WeakPolarHBondContact O-CG2 3.06Å; L408-V412 PolarHBondContact O-N 3.28Å; P409-V412 PolarHBondContact O-N 2.94Å; V412-L415 PolarHBondContact O-N 3Å; V412-G416 PolarHBondContact O-N 2.91Å |
| 413 | S | 77.3 | Confident | 72.1 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 178.3 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | P409 F410 A411 G416 S417 | P409-S413 WeakPolarHBondContact O-CB 3.45Å; P409-S413 PolarHBondContact O-N 3.03Å; P409-S413 PolarHBondContact O-OG 3.25Å; F410-S413 PolarHBondContact O-N 3.01Å; F410-S413 PolarHBondContact O-OG 3.45Å; A411-S413 PolarHBondContact O-N 3.5Å; S413-G416 PolarHBondContact O-N 3.05Å; S413-S417 VanDerWaalsContact O-CB 3.27Å; S413-S417 WeakPolarHBondContact O-CB 3.43Å; S413-S417 PolarHBondContact O-N 2.99Å |
| 414 | L | 75.2 | Confident | 72 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 176 | -154.2 | 82.8 | 0 | 0 | 0 | 109.8 | F410 A411 S417 L418 W443 I446 R448 V457 | F410-L414 HydrophobicContact CE2-CD1 4.44Å; F410-L414 HydrophobicContact CZ-CD1 4.17Å; F410-L414 WeakPolarHBondContact O-CB 3.35Å; F410-L414 PolarHBondContact O-N 3.42Å; A411-L414 PolarHBondContact O-N 3.27Å; L414-S417 PolarHBondContact O-N 3.13Å; L414-S417 PolarHBondContact O-OG 2.87Å; L414-L418 PolarHBondContact O-N 3.31Å; L414-L418 VanDerWaalsContact O-N 3.11Å; L414-W443 HydrophobicContact CD2-CE3 4.25Å; L414-W443 HydrophobicContact CD2-CZ3 4.18Å; L414-I446 HydrophobicContact CD2-CB 4.02Å; L414-I446 HydrophobicContact CD2-CG2 3.27Å; L414-I446 HydrophobicContact CG-CG2 3.69Å; L414-R448 HydrophobicContact CD1-CB 4.5Å; L414-V457 HydrophobicContact CD2-CG2 4.27Å |
| 415 | L | 75.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -49.5 | 176 | -167.4 | 72.6 | 0 | 0 | 0 | 111.8 | I401 T405 A411 V412 S417 L418 L419 L426 L441 | I401-L415 HydrophobicContact CG2-CD2 3.5Å; I401-L415 VanDerWaalsContact CG2-CD2 3.5Å; T405-L415 HydrophobicContact CG2-CD2 4.09Å; A411-L415 WeakPolarHBondContact O-CB 3.3Å; A411-L415 PolarHBondContact O-N 2.9Å; V412-L415 PolarHBondContact O-N 3Å; L415-S417 PolarHBondContact O-N 2.85Å; L415-L418 WeakPolarHBondContact O-CB 3.2Å; L415-L418 PolarHBondContact O-N 2.84Å; L415-L419 HydrophobicContact CD2-CD1 4.36Å; L415-L419 HydrophobicContact CG-CD1 3.95Å; L415-L419 HydrophobicContact CG-CG 4.49Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.09Å; L415-L419 PolarHBondContact O-N 2.88Å; L415-L426 HydrophobicContact CD1-CD1 3.7Å; L415-L441 HydrophobicContact CD1-CD1 4.13Å; L415-L441 HydrophobicContact CD1-CD2 3.99Å |
| 416 | G | 77.1 | Confident | 71.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V412 S413 L419 Y420 | V412-G416 PolarHBondContact O-N 2.91Å; S413-G416 PolarHBondContact O-N 3.05Å; G416-L419 PolarHBondContact O-N 3.05Å; G416-Y420 PolarHBondContact O-N 3.38Å |
| 417 | S | 72.5 | Confident | 71.4 | Confident | 10 Ų | 10 | 37 Ų | 37 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.3 | -35.3 | 176.1 | 87.9 | 0 | 0 | 0 | 0 | 113 | W373 S413 L414 L415 Y420 R448 | W373-S417 VanDerWaalsContact CE3-CA 3.49Å; W373-S417 VanDerWaalsContact CZ3-CB 3.44Å; S413-S417 VanDerWaalsContact O-CB 3.27Å; S413-S417 WeakPolarHBondContact O-CB 3.43Å; S413-S417 PolarHBondContact O-N 2.99Å; L414-S417 PolarHBondContact O-N 3.13Å; L414-S417 PolarHBondContact O-OG 2.87Å; L415-S417 PolarHBondContact O-N 2.85Å; S417-Y420 WeakPolarHBondContact O-CB 3.45Å; S417-R448 VanDerWaalsContact O-CZ 3.22Å; S417-R448 PolarHBondContact O-NH1 3.31Å; S417-R448 PolarHBondContact O-NH2 2.81Å; S417-R448 PolarHBondContact OG-NH1 3Å |
| 418 | L | 69.4 | Low | 71.1 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 14% | 0.141 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -44.6 | 172.9 | -73.4 | 175.8 | 0 | 0 | 0 | 110.9 | L414 L415 Y420 Y429 I446 | L414-L418 PolarHBondContact O-N 3.31Å; L414-L418 VanDerWaalsContact O-N 3.11Å; L415-L418 WeakPolarHBondContact O-CB 3.2Å; L415-L418 PolarHBondContact O-N 2.84Å; L418-Y420 PolarHBondContact O-N 3.47Å; L418-Y429 HydrophobicContact CD1-CE2 4.32Å; L418-I446 HydrophobicContact CD1-CB 4.3Å; L418-I446 HydrophobicContact CD1-CD1 3.97Å; L418-I446 HydrophobicContact CD1-CG1 3.85Å; L418-I446 HydrophobicContact CD1-CG2 3.48Å; L418-I446 VanDerWaalsContact CD1-CG2 3.48Å; L418-I446 HydrophobicContact CG-CG2 4.16Å |
| 419 | L | 71.6 | Confident | 70.4 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -13.7 | -177.7 | -63.8 | 174.1 | 0 | 0 | 0 | 113.4 | L370 T374 L415 G416 N421 Q422 I423 L426 | L370-L419 HydrophobicContact CD2-CD1 4.4Å; T374-L419 HydrophobicContact CG2-CB 3.79Å; L415-L419 HydrophobicContact CD2-CD1 4.36Å; L415-L419 HydrophobicContact CG-CD1 3.95Å; L415-L419 HydrophobicContact CG-CG 4.49Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.09Å; L415-L419 PolarHBondContact O-N 2.88Å; G416-L419 PolarHBondContact O-N 3.05Å; L419-N421 PolarHBondContact O-N 2.95Å; L419-Q422 PolarHBondContact O-N 3.23Å; L419-I423 HydrophobicContact CB-CG1 4.21Å; L419-I423 HydrophobicContact CD2-CB 4.5Å; L419-I423 HydrophobicContact CD2-CG1 4.49Å; L419-I423 WeakPolarHBondContact O-CG1 3.36Å; L419-L426 HydrophobicContact CD2-CB 3.96Å; L419-L426 HydrophobicContact CD2-CD1 4.21Å; L419-L426 HydrophobicContact CD2-CD2 4.48Å; L419-L426 HydrophobicContact CD2-CG 4.44Å |
| 420 | Y | 72.7 | Confident | 69.8 | Low | 111 Ų | 111 | 46.2 Ų | 46.2 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | -39.9 | -177.8 | -173 | -94.4 | 0 | 0 | 0 | 114 | W373 G416 S417 L418 | W373-Y420 HydrophobicContact CE3-CD2 4.26Å; W373-Y420 WeakPolarHBondContact O-CD2 3.34Å; W373-Y420 VanDerWaalsContact O-CE2 3.24Å; W373-Y420 WeakPolarHBondContact O-CE2 3.44Å; G416-Y420 PolarHBondContact O-N 3.38Å; S417-Y420 WeakPolarHBondContact O-CB 3.45Å; L418-Y420 PolarHBondContact O-N 3.47Å |
| 421 | N | 56.6 | Low | 69.1 | Low | 135 Ų | 135 | 49.4 Ų | 49.4 | 72% | 0.722 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | -7.2 | 179.9 | -75.2 | -19.3 | 0 | 0 | 0 | 114.7 | L419 | L419-N421 PolarHBondContact O-N 2.95Š|
| 422 | Q | 67.1 | Low | 68.1 | Low | 78 Ų | 78 | 53.7 Ų | 53.7 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | trans | -146.3 | 56.6 | -165.9 | -65.4 | -174.9 | -22.9 | 0 | 0 | 112.9 | L419 H424 R425 | L419-Q422 PolarHBondContact O-N 3.23Å; Q422-H424 PolarHBondContact O-N 3.3Å; Q422-H424 VanDerWaalsContact O-N 3.13Å; Q422-R425 HydrophobicContact CB-CB 4.42Å; Q422-R425 HydrophobicContact CB-CG 4.27Å; Q422-R425 PolarHBondContact O-N 3.01Å; Q422-R425 VanDerWaalsContact OE1-CD 3.32Å; Q422-R425 VanDerWaalsContact OE1-NH1 3.11Å | ||
| 423 | I | 62.3 | Low | 66.5 | Low | 60 Ų | 60 | 56.3 Ų | 56.3 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -53.8 | -35.6 | -179.4 | -66 | 176.5 | 0 | 0 | 0 | 112.9 | T374 Y376 L419 R425 L426 | T374-I423 HydrophobicContact CG2-CD1 4.43Å; Y376-I423 HydrophobicContact CD1-CD1 4.41Å; Y376-I423 HydrophobicContact CD2-CD1 3.57Å; Y376-I423 HydrophobicContact CE1-CD1 4.17Å; Y376-I423 HydrophobicContact CE2-CD1 3.24Å; Y376-I423 HydrophobicContact CE2-CG1 4.43Å; Y376-I423 HydrophobicContact CG-CD1 4.16Å; L419-I423 HydrophobicContact CB-CG1 4.21Å; L419-I423 HydrophobicContact CD2-CB 4.5Å; L419-I423 HydrophobicContact CD2-CG1 4.49Å; L419-I423 WeakPolarHBondContact O-CG1 3.36Å; I423-R425 PolarHBondContact O-N 3Å; I423-R425 VanDerWaalsContact O-N 3.16Å; I423-L426 PolarHBondContact O-N 2.97Å |
| 424 | H | 65.6 | Low | 64.8 | Low | 129 Ų | 129 | 62.3 Ų | 62.3 | 60% | 0.597 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -64.5 | -16.2 | -179.9 | 62.3 | -89.1 | 0 | 0 | 0 | 114.5 | Q422 L426 S427 | Q422-H424 PolarHBondContact O-N 3.3Å; Q422-H424 VanDerWaalsContact O-N 3.13Å; H424-L426 VanDerWaalsContact C-N 3.33Å; H424-S427 PolarHBondContact O-OG 3.44Å |
| 425 | R | 67.3 | Low | 63.3 | Low | 109 Ų | 109 | 66.1 Ų | 66.1 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -86 | 1.5 | 177.6 | -71.6 | -162.7 | 173.9 | 179.4 | -15.1 | 114.1 | Q422 I423 S427 D428 Y429 | Q422-R425 HydrophobicContact CB-CB 4.42Å; Q422-R425 HydrophobicContact CB-CG 4.27Å; Q422-R425 PolarHBondContact O-N 3.01Å; Q422-R425 VanDerWaalsContact OE1-CD 3.32Å; Q422-R425 VanDerWaalsContact OE1-NH1 3.11Å; I423-R425 PolarHBondContact O-N 3Å; I423-R425 VanDerWaalsContact O-N 3.16Å; R425-S427 PolarHBondContact O-N 3.01Å; R425-D428 WeakPolarHBondContact CG-OD2 3.3Å; R425-D428 VanDerWaalsContact O-CB 3.31Å; R425-D428 WeakPolarHBondContact O-CB 3.08Å; R425-D428 PolarHBondContact O-N 3.25Å; R425-Y429 HydrophobicContact CB-CE2 4.4Å; R425-Y429 VanDerWaalsContact O-CD2 3.22Å; R425-Y429 WeakPolarHBondContact O-CD2 3.37Å; R425-Y429 WeakPolarHBondContact O-CE2 3.42Å |
| 426 | L | 65.7 | Low | 61.7 | Low | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -57.4 | -35.6 | 179.4 | -174.5 | 57.6 | 0 | 0 | 0 | 111.9 | I396 I401 L415 L419 I423 H424 D428 Y429 V430 | I396-L426 HydrophobicContact CB-CD2 4.26Å; I396-L426 HydrophobicContact CD1-CB 4.2Å; I396-L426 HydrophobicContact CD1-CD2 3.58Å; I396-L426 HydrophobicContact CD1-CG 3.65Å; I396-L426 HydrophobicContact CG2-CD2 3.78Å; I401-L426 HydrophobicContact CD1-CD2 4.45Å; L415-L426 HydrophobicContact CD1-CD1 3.7Å; L419-L426 HydrophobicContact CD2-CB 3.96Å; L419-L426 HydrophobicContact CD2-CD1 4.21Å; L419-L426 HydrophobicContact CD2-CD2 4.48Å; L419-L426 HydrophobicContact CD2-CG 4.44Å; I423-L426 PolarHBondContact O-N 2.97Å; H424-L426 VanDerWaalsContact C-N 3.33Å; L426-D428 VanDerWaalsContact C-N 3.26Å; L426-D428 PolarHBondContact O-N 2.89Å; L426-Y429 PolarHBondContact O-N 2.84Å; L426-V430 WeakPolarHBondContact O-CG2 3.32Å |
| 427 | S | 64.1 | Low | 60.1 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.7 | 175.8 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | H424 R425 Y429 V430 | H424-S427 PolarHBondContact O-OG 3.44Å; R425-S427 PolarHBondContact O-N 3.01Å; S427-Y429 PolarHBondContact O-N 3Å; S427-V430 PolarHBondContact O-N 3.34Å |
| 428 | D | 66.8 | Low | 58.9 | Low | 112 Ų | 112 | 75.8 Ų | 75.8 | 60% | 0.599 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -65.2 | -20.6 | 178.7 | -61 | -23.6 | 0 | 0 | 0 | 112.4 | R425 L426 | R425-D428 WeakPolarHBondContact CG-OD2 3.3Å; R425-D428 VanDerWaalsContact O-CB 3.31Å; R425-D428 WeakPolarHBondContact O-CB 3.08Å; R425-D428 PolarHBondContact O-N 3.25Å; L426-D428 VanDerWaalsContact C-N 3.26Å; L426-D428 PolarHBondContact O-N 2.89Å |
| 429 | Y | 63.9 | Low | 58.2 | Low | 58 Ų | 58 | 78.4 Ų | 78.4 | 23% | 0.227 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -105.9 | -3.4 | -177.3 | -55.9 | -75 | 0 | 0 | 0 | 113.8 | L418 R425 L426 S427 D442 A445 I446 | L418-Y429 HydrophobicContact CD1-CE2 4.32Å; R425-Y429 HydrophobicContact CB-CE2 4.4Å; R425-Y429 VanDerWaalsContact O-CD2 3.22Å; R425-Y429 WeakPolarHBondContact O-CD2 3.37Å; R425-Y429 WeakPolarHBondContact O-CE2 3.42Å; L426-Y429 PolarHBondContact O-N 2.84Å; S427-Y429 PolarHBondContact O-N 3Å; Y429-D442 PolarHBondContact O-N 3.24Å; Y429-A445 HydrophobicContact CD1-CB 4.5Å; Y429-I446 HydrophobicContact CD1-CG1 4.09Å |
| 430 | V | 62.5 | Low | 57.8 | Low | 28 Ų | 28 | 80.9 Ų | 80.9 | 17% | 0.17 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.5 | -177 | 175.7 | 0 | 0 | 0 | 0 | 109.5 | I396 M404 L426 S427 K439 F440 L441 | I396-V430 HydrophobicContact CD1-CG2 4.35Å; M404-V430 HydrophobicContact CE-CG1 3.81Å; M404-V430 HydrophobicContact CE-CG2 4.18Å; M404-V430 HydrophobicContact SD-CG2 4.45Å; L426-V430 WeakPolarHBondContact O-CG2 3.32Å; S427-V430 PolarHBondContact O-N 3.34Å; V430-K439 HydrophobicContact CG1-CB 3.68Å; V430-K439 HydrophobicContact CG1-CD 4.02Å; V430-K439 HydrophobicContact CG1-CG 4.06Å; V430-F440 CarbonylContact C-O 3.6Å; V430-F440 WeakPolarHBondContact CA-O 3.38Å; V430-L441 HydrophobicContact CG2-CG 4.47Å |
| 431 | I | 63.6 | Low | 57.5 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.4 | 177.8 | -55.6 | 179 | 0 | 0 | 0 | 109 | K439 F440 D442 | I431-K439 CarbonylContact O-C 3.4Å; I431-K439 WeakPolarHBondContact O-CA 3.4Å; I431-F440 PolarHBondContact N-O 3.36Å; I431-F440 PolarHBondContact O-N 3.29Å; I431-D442 HydrophobicContact CD1-CB 3.65Å; I431-D442 HydrophobicContact CG1-CB 4.19Å |
| 432 | S | 54.9 | Low | 58 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.2 | 168.7 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 433 | V | 44.7 | Very low | 58 | Low | 56 Ų | 56 | 69 Ų | 69 | 34% | 0.339 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 119.1 | -178.8 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | G435 T436 S438 F440 | V433-G435 PolarHBondContact O-N 3.41Å; V433-G435 VanDerWaalsContact O-N 3.14Å; V433-T436 PolarHBondContact O-N 2.87Å; V433-T436 PolarHBondContact O-OG1 3.43Å; V433-S438 PolarHBondContact N-O 3.33Å; V433-S438 VanDerWaalsContact N-O 3.1Å; V433-F440 HydrophobicContact CG2-CD2 3.9Å; V433-F440 HydrophobicContact CG2-CE2 4.46Å |
| 434 | N | 43.1 | Very low | 58 | Low | 131 Ų | 131 | 69.3 Ų | 69.3 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 40.1 | 160.9 | -65 | -15.7 | 0 | 0 | 0 | 116.9 | T436 | N434-T436 PolarHBondContact O-N 2.99Š|
| 435 | G | 43.6 | Very low | 57.9 | Low | 88 Ų | 88 | 65.9 Ų | 65.9 | 91% | 0.907 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 2.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V433 G437 | V433-G435 PolarHBondContact O-N 3.41Å; V433-G435 VanDerWaalsContact O-N 3.14Å; G435-G437 PolarHBondContact O-N 3.42Å |
| 436 | T | 41 | Very low | 57.7 | Low | 104 Ų | 104 | 60.7 Ų | 60.7 | 64% | 0.638 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -79 | -1 | 179.3 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | V433 N434 S438 | V433-T436 PolarHBondContact O-N 2.87Å; V433-T436 PolarHBondContact O-OG1 3.43Å; N434-T436 PolarHBondContact O-N 2.99Å; T436-S438 PolarHBondContact O-N 3.34Å; T436-S438 PolarHBondContact OG1-OG 3.02Å |
| 437 | G | 43.4 | Very low | 57.4 | Low | 66 Ų | 66 | 66.9 Ų | 66.9 | 68% | 0.68 | 41% | 0.407 | S | S | * | . | trans | 75.4 | -6.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G435 K439 | G435-G437 PolarHBondContact O-N 3.42Å; G437-K439 PolarHBondContact O-N 3.1Å | ||
| 438 | S | 47.2 | Very low | 57 | Low | 43 Ų | 43 | 68.6 Ų | 68.6 | 30% | 0.301 | 41% | 0.405 | S | S | . | . | trans | -74.6 | 119.4 | 176.3 | 59.7 | 0 | 0 | 0 | 0 | 111 | V433 T436 | V433-S438 PolarHBondContact N-O 3.33Å; V433-S438 VanDerWaalsContact N-O 3.1Å; T436-S438 PolarHBondContact O-N 3.34Å; T436-S438 PolarHBondContact OG1-OG 3.02Å | ||
| 439 | K | 54.7 | Low | 56.1 | Low | 82 Ų | 82 | 69.3 Ų | 69.3 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.4 | 179 | -71.4 | -178.6 | -175.9 | 176.7 | 0 | 108.5 | D395 M404 V430 I431 G437 | D395-K439 IonicContact OD2-NZ 2.72Å; D395-K439 PolarHBondContact OD2-NZ 2.81Å; M404-K439 HydrophobicContact CE-CB 3.55Å; M404-K439 WeakPolarHBondContact CE-O 3.39Å; V430-K439 HydrophobicContact CG1-CB 3.68Å; V430-K439 HydrophobicContact CG1-CD 4.02Å; V430-K439 HydrophobicContact CG1-CG 4.06Å; I431-K439 CarbonylContact O-C 3.4Å; I431-K439 WeakPolarHBondContact O-CA 3.4Å; G437-K439 PolarHBondContact O-N 3.1Å |
| 440 | F | 62.2 | Low | 55.5 | Low | 57 Ų | 57 | 68 Ų | 68 | 25% | 0.25 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.4 | 179.2 | -70.7 | -81.7 | 0 | 0 | 0 | 111 | V430 I431 V433 D538 | V430-F440 CarbonylContact C-O 3.6Å; V430-F440 WeakPolarHBondContact CA-O 3.38Å; I431-F440 PolarHBondContact N-O 3.36Å; I431-F440 PolarHBondContact O-N 3.29Å; V433-F440 HydrophobicContact CG2-CD2 3.9Å; V433-F440 HydrophobicContact CG2-CE2 4.46Å; F440-D538 HydrophobicContact CD1-CB 4.32Å; F440-D538 WeakPolarHBondContact CD1-OD2 3.4Å; F440-D538 HydrophobicContact CE1-CB 4.37Å; F440-D538 VanDerWaalsContact CE1-CG 3.42Å; F440-D538 VanDerWaalsContact CE1-OD1 3.32Å; F440-D538 WeakPolarHBondContact CE1-OD1 3.48Å; F440-D538 WeakPolarHBondContact CE1-OD2 3.44Å |
| 441 | L | 67.3 | Low | 54.8 | Low | 11 Ų | 11 | 69.3 Ų | 69.3 | 6% | 0.058 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.3 | 172.1 | -105.6 | 150.7 | 0 | 0 | 0 | 109.4 | M404 L415 V430 W443 I446 | M404-L441 HydrophobicContact CB-CD1 3.75Å; M404-L441 HydrophobicContact CG-CD1 4.35Å; M404-L441 HydrophobicContact SD-CD1 3.9Å; M404-L441 HydrophobicContact SD-CG 4.39Å; L415-L441 HydrophobicContact CD1-CD1 4.13Å; L415-L441 HydrophobicContact CD1-CD2 3.99Å; V430-L441 HydrophobicContact CG2-CG 4.47Å; L441-W443 VanDerWaalsContact C-N 3.29Å; L441-W443 HydrophobicContact CB-CZ2 4.26Å; L441-W443 HydrophobicContact CD1-CZ2 4.34Å; L441-W443 VanDerWaalsContact O-CD1 3.29Å; L441-W443 PolarHBondContact O-N 2.89Å; L441-I446 HydrophobicContact CD2-CD1 3.62Å |
| 442 | D | 67.2 | Low | 54.4 | Low | 54 Ų | 54 | 66.9 Ų | 66.9 | 29% | 0.289 | 41% | 0.414 | S | S | . | . | trans | -75.1 | 84.5 | 173.2 | -171.9 | -8.1 | 0 | 0 | 0 | 110.4 | Y429 I431 V444 A445 I446 | Y429-D442 PolarHBondContact O-N 3.24Å; I431-D442 HydrophobicContact CD1-CB 3.65Å; I431-D442 HydrophobicContact CG1-CB 4.19Å; D442-V444 PolarHBondContact O-N 3.43Å; D442-V444 VanDerWaalsContact O-N 3.07Å; D442-V444 WeakPolarHBondContact OD1-CA 3.34Å; D442-V444 VanDerWaalsContact OD1-CB 3.29Å; D442-V444 WeakPolarHBondContact OD1-CB 3.5Å; D442-V444 PolarHBondContact OD1-N 3.09Å; D442-A445 HydrophobicContact CB-CB 4.11Å; D442-A445 PolarHBondContact O-N 3.18Å; D442-A445 PolarHBondContact OD1-N 3.05Å; D442-I446 WeakPolarHBondContact O-CG1 3.43Å; D442-I446 PolarHBondContact O-N 3.3Å | ||
| 443 | W | 66.7 | Low | 54.4 | Low | 9 Ų | 9 | 65.2 Ų | 65.2 | 3% | 0.034 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.3 | 177.5 | -68.3 | 109.7 | 0 | 0 | 0 | 112.9 | T405 A411 L414 L441 I446 V457 F458 | T405-W443 HydrophobicContact CG2-CH2 4.04Å; T405-W443 HydrophobicContact CG2-CZ2 4.17Å; A411-W443 HydrophobicContact CB-CH2 3.48Å; A411-W443 VanDerWaalsContact CB-CH2 3.48Å; A411-W443 HydrophobicContact CB-CZ2 3.97Å; A411-W443 HydrophobicContact CB-CZ3 3.91Å; L414-W443 HydrophobicContact CD2-CE3 4.25Å; L414-W443 HydrophobicContact CD2-CZ3 4.18Å; L441-W443 VanDerWaalsContact C-N 3.29Å; L441-W443 HydrophobicContact CB-CZ2 4.26Å; L441-W443 HydrophobicContact CD1-CZ2 4.34Å; L441-W443 VanDerWaalsContact O-CD1 3.29Å; L441-W443 PolarHBondContact O-N 2.89Å; W443-I446 HydrophobicContact CE3-CD1 4.03Å; W443-I446 HydrophobicContact CZ3-CD1 4.17Å; W443-V457 HydrophobicContact CE3-CG2 3.95Å; W443-V457 HydrophobicContact CZ3-CG2 4.38Å; W443-F458 HydrophobicContact CB-CD2 3.9Å; W443-F458 HydrophobicContact CB-CE2 3.1Å; W443-F458 HydrophobicContact CB-CZ 3.68Å; W443-F458 HydrophobicContact CG-CE2 4.34Å |
| 444 | V | 63 | Low | 55.2 | Low | 67 Ų | 67 | 63.3 Ų | 63.3 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -36.8 | -177.1 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | D442 I446 K447 F458 | D442-V444 PolarHBondContact O-N 3.43Å; D442-V444 VanDerWaalsContact O-N 3.07Å; D442-V444 WeakPolarHBondContact OD1-CA 3.34Å; D442-V444 VanDerWaalsContact OD1-CB 3.29Å; D442-V444 WeakPolarHBondContact OD1-CB 3.5Å; D442-V444 PolarHBondContact OD1-N 3.09Å; V444-I446 VanDerWaalsContact C-N 3.26Å; V444-I446 PolarHBondContact O-N 3.47Å; V444-K447 VanDerWaalsContact O-CE 3.32Å; V444-K447 WeakPolarHBondContact O-CE 3.48Å; V444-F458 HydrophobicContact CB-CE2 4.17Å; V444-F458 HydrophobicContact CG2-CD2 3.84Å; V444-F458 HydrophobicContact CG2-CE1 4.37Å; V444-F458 HydrophobicContact CG2-CE2 3.26Å; V444-F458 HydrophobicContact CG2-CZ 3.64Å |
| 445 | A | 62.6 | Low | 56 | Low | 57 Ų | 57 | 61.7 Ų | 61.7 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -29.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y429 D442 K447 | Y429-A445 HydrophobicContact CD1-CB 4.5Å; D442-A445 HydrophobicContact CB-CB 4.11Å; D442-A445 PolarHBondContact O-N 3.18Å; D442-A445 PolarHBondContact OD1-N 3.05Å; A445-K447 PolarHBondContact O-N 3.37Å |
| 446 | I | 63 | Low | 57.1 | Low | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | trans | -83.1 | 83.8 | 179.2 | -50.6 | 170.1 | 0 | 0 | 0 | 110.6 | L414 L418 Y429 L441 D442 W443 V444 | L414-I446 HydrophobicContact CD2-CB 4.02Å; L414-I446 HydrophobicContact CD2-CG2 3.27Å; L414-I446 HydrophobicContact CG-CG2 3.69Å; L418-I446 HydrophobicContact CD1-CB 4.3Å; L418-I446 HydrophobicContact CD1-CD1 3.97Å; L418-I446 HydrophobicContact CD1-CG1 3.85Å; L418-I446 HydrophobicContact CD1-CG2 3.48Å; L418-I446 VanDerWaalsContact CD1-CG2 3.48Å; L418-I446 HydrophobicContact CG-CG2 4.16Å; Y429-I446 HydrophobicContact CD1-CG1 4.09Å; L441-I446 HydrophobicContact CD2-CD1 3.62Å; D442-I446 WeakPolarHBondContact O-CG1 3.43Å; D442-I446 PolarHBondContact O-N 3.3Å; W443-I446 HydrophobicContact CE3-CD1 4.03Å; W443-I446 HydrophobicContact CZ3-CD1 4.17Å; V444-I446 VanDerWaalsContact C-N 3.26Å; V444-I446 PolarHBondContact O-N 3.47Å | ||
| 447 | K | 60 | Low | 58.5 | Low | 144 Ų | 144 | 53.4 Ų | 53.4 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | trans | -105.9 | 124.9 | 170 | -64.5 | -179 | -176.1 | 178.6 | 0 | 109.7 | V444 A445 | V444-K447 VanDerWaalsContact O-CE 3.32Å; V444-K447 WeakPolarHBondContact O-CE 3.48Å; A445-K447 PolarHBondContact O-N 3.37Å | ||
| 448 | R | 56.3 | Low | 59.7 | Low | 96 Ų | 96 | 50.9 Ų | 50.9 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | trans | -135 | 143.1 | 164.4 | -82.7 | -163.6 | 174.8 | -179 | 2.2 | 109.5 | L414 S417 S450 | L414-R448 HydrophobicContact CD1-CB 4.5Å; S417-R448 VanDerWaalsContact O-CZ 3.22Å; S417-R448 PolarHBondContact O-NH1 3.31Å; S417-R448 PolarHBondContact O-NH2 2.81Å; S417-R448 PolarHBondContact OG-NH1 3Å; R448-S450 PolarHBondContact O-N 3.46Å | ||
| 449 | P | 48.1 | Very low | 60.7 | Low | 126 Ų | 126 | 52.1 Ų | 52.1 | 82% | 0.818 | 29% | 0.293 | S | S | * | . | trans | -64.7 | 94.4 | 166 | 27.2 | -30.5 | 0 | 0 | 0 | 107.1 | ||||
| 450 | S | 49.6 | Very low | 61.4 | Low | 30 Ų | 30 | 48.4 Ų | 48.4 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | trans | -77.9 | 156.3 | 171.9 | 76.8 | 0 | 0 | 0 | 0 | 108.3 | R448 Y452 Y454 | R448-S450 PolarHBondContact O-N 3.46Å; S450-Y452 PolarHBondContact O-N 3.09Å; S450-Y452 VanDerWaalsContact O-N 3.1Å; S450-Y452 WeakPolarHBondContact OG-CB 3.22Å; S450-Y452 PolarHBondContact OG-N 2.98Å; S450-Y452 PolarHBondContact OG-O 3.48Å; S450-Y452 VanDerWaalsContact OG-O 3.12Å; S450-Y454 PolarHBondContact OG-O 3.47Å | ||
| 451 | A | 49.4 | Very low | 62 | Low | 57 Ų | 57 | 45.8 Ų | 45.8 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -62.2 | -13.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P115 | P115-A451 HydrophobicContact CB-CB 4.47Š|
| 452 | Y | 54.1 | Low | 62.2 | Low | 36 Ų | 36 | 48.4 Ų | 48.4 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -82 | 144.3 | 172.5 | -62.6 | -77.1 | 0 | 0 | 0 | 109.7 | A113 P115 V192 F410 S450 Y454 | A113-Y452 WeakPolarHBondContact O-CE1 3.35Å; P115-Y452 WeakPolarHBondContact CD-OH 3.37Å; P115-Y452 HydrophobicContact CG-CE2 4.14Å; V192-Y452 HydrophobicContact CG2-CE2 4.37Å; V192-Y452 WeakPolarHBondContact CG2-OH 3.48Å; F410-Y452 HydrophobicContact CE2-CD2 4.47Å; S450-Y452 PolarHBondContact O-N 3.09Å; S450-Y452 VanDerWaalsContact O-N 3.1Å; S450-Y452 WeakPolarHBondContact OG-CB 3.22Å; S450-Y452 PolarHBondContact OG-N 2.98Å; S450-Y452 PolarHBondContact OG-O 3.48Å; S450-Y452 VanDerWaalsContact OG-O 3.12Å; Y452-Y454 PolarHBondContact O-N 3.25Å |
| 453 | G | 54.7 | Low | 62.5 | Low | 55 Ų | 55 | 48.7 Ų | 48.7 | 57% | 0.567 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -66.3 | 26.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 454 | Y | 62.3 | Low | 62.9 | Low | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | trans | -124.5 | 123.7 | 178 | -53.4 | -66 | 0 | 0 | 0 | 109.8 | D318 W320 R340 S450 Y452 S456 Q459 A460 K463 | D318-Y454 PolarHBondContact OD2-OH 2.92Å; W320-Y454 VanDerWaalsContact CZ2-OH 3.28Å; W320-Y454 WeakPolarHBondContact CZ2-OH 3.45Å; R340-Y454 PolarHBondContact NH2-OH 3.27Å; S450-Y454 PolarHBondContact OG-O 3.47Å; Y452-Y454 PolarHBondContact O-N 3.25Å; Y454-S456 VanDerWaalsContact C-N 3.32Å; Y454-Q459 HydrophobicContact CD1-CG 4.44Å; Y454-A460 HydrophobicContact CD1-CB 4.18Å; Y454-A460 HydrophobicContact CD2-CB 4.34Å; Y454-A460 HydrophobicContact CG-CB 4.01Å; Y454-K463 HydrophobicContact CD1-CD 4.09Å; Y454-K463 HydrophobicContact CE1-CD 3.41Å; Y454-K463 VanDerWaalsContact CE1-CD 3.41Å | ||
| 455 | D | 60.9 | Low | 63.7 | Low | 96 Ų | 96 | 46.3 Ų | 46.3 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -77.6 | -20.2 | 178.2 | -64 | -35.3 | 0 | 0 | 0 | 112.4 | ||
| 456 | S | 66.2 | Low | 64.5 | Low | 15 Ų | 15 | 46.8 Ų | 46.8 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -152.5 | 161.6 | -179.1 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | Y454 F458 Q459 | Y454-S456 VanDerWaalsContact C-N 3.32Å; S456-F458 PolarHBondContact O-N 2.83Å; S456-Q459 PolarHBondContact O-N 3.1Å; S456-Q459 PolarHBondContact OG-N 3.27Å |
| 457 | V | 69.6 | Low | 65.1 | Low | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -38.4 | 173 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | L408 F410 L414 W443 A460 F461 I535 | L408-V457 HydrophobicContact CD2-CG1 4.29Å; F410-V457 HydrophobicContact CD1-CB 4.37Å; F410-V457 HydrophobicContact CD1-CG2 3.66Å; F410-V457 HydrophobicContact CE1-CB 4.21Å; F410-V457 HydrophobicContact CE1-CG2 3.58Å; L414-V457 HydrophobicContact CD2-CG2 4.27Å; W443-V457 HydrophobicContact CE3-CG2 3.95Å; W443-V457 HydrophobicContact CZ3-CG2 4.38Å; V457-A460 WeakPolarHBondContact O-CB 3.49Å; V457-A460 PolarHBondContact O-N 3.24Å; V457-F461 HydrophobicContact CG1-CD2 3.87Å; V457-F461 HydrophobicContact CG1-CE2 3.41Å; V457-F461 VanDerWaalsContact CG1-CE2 3.41Å; V457-F461 HydrophobicContact CG1-CZ 4.36Å; V457-F461 WeakPolarHBondContact O-CD2 3Å; V457-F461 PolarHBondContact O-N 3.46Å; V457-I535 HydrophobicContact CG1-CG2 4.08Å |
| 458 | F | 69.7 | Low | 66.2 | Low | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.057 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 178.1 | -69.9 | -83.5 | 0 | 0 | 0 | 113.1 | W443 V444 S456 A460 F461 D462 L539 Y543 | W443-F458 HydrophobicContact CB-CD2 3.9Å; W443-F458 HydrophobicContact CB-CE2 3.1Å; W443-F458 HydrophobicContact CB-CZ 3.68Å; W443-F458 HydrophobicContact CG-CE2 4.34Å; V444-F458 HydrophobicContact CB-CE2 4.17Å; V444-F458 HydrophobicContact CG2-CD2 3.84Å; V444-F458 HydrophobicContact CG2-CE1 4.37Å; V444-F458 HydrophobicContact CG2-CE2 3.26Å; V444-F458 HydrophobicContact CG2-CZ 3.64Å; S456-F458 PolarHBondContact O-N 2.83Å; F458-A460 PolarHBondContact O-N 3.1Å; F458-A460 VanDerWaalsContact O-N 3.13Å; F458-F461 PolarHBondContact O-N 3.29Å; F458-D462 PolarHBondContact O-N 3.41Å; F458-L539 HydrophobicContact CB-CD1 4.34Å; F458-L539 HydrophobicContact CD1-CB 4.12Å; F458-L539 HydrophobicContact CD1-CD1 3.06Å; F458-L539 HydrophobicContact CD1-CD2 4.38Å; F458-L539 HydrophobicContact CD1-CG 3.26Å; F458-L539 HydrophobicContact CE1-CB 3.63Å; F458-L539 HydrophobicContact CE1-CD1 3.49Å; F458-L539 VanDerWaalsContact CE1-CD1 3.49Å; F458-L539 HydrophobicContact CE1-CG 3.25Å; F458-L539 HydrophobicContact CG-CD1 3.95Å; F458-L539 HydrophobicContact CZ-CG 4.49Å; F458-Y543 AromaticContact CD1-CE2 3.82Å; F458-Y543 HydrophobicContact CD1-CE2 3.82Å; F458-Y543 HydrophobicContact CE1-CE2 4.07Å |
| 459 | Q | 67.9 | Low | 67.6 | Low | 70 Ų | 70 | 41.5 Ų | 41.5 | 33% | 0.327 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -29.2 | -178.7 | -163.8 | -177.2 | 29 | 0 | 0 | 111.6 | Y454 S456 K463 | Y454-Q459 HydrophobicContact CD1-CG 4.44Å; S456-Q459 PolarHBondContact O-N 3.1Å; S456-Q459 PolarHBondContact OG-N 3.27Å; Q459-K463 WeakPolarHBondContact O-CD 3.37Å; Q459-K463 WeakPolarHBondContact O-CG 3.45Å |
| 460 | A | 68.8 | Low | 69.3 | Low | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.9 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P186 R340 Y454 V457 F458 | P186-A460 HydrophobicContact CB-CB 3.8Å; R340-A460 PolarHBondContact NH1-O 2.83Å; Y454-A460 HydrophobicContact CD1-CB 4.18Å; Y454-A460 HydrophobicContact CD2-CB 4.34Å; Y454-A460 HydrophobicContact CG-CB 4.01Å; V457-A460 WeakPolarHBondContact O-CB 3.49Å; V457-A460 PolarHBondContact O-N 3.24Å; F458-A460 PolarHBondContact O-N 3.1Å; F458-A460 VanDerWaalsContact O-N 3.13Å |
| 461 | F | 75.2 | Confident | 71.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.9 | -41.9 | 177.3 | -70.2 | -54.3 | 0 | 0 | 0 | 113.2 | P186 L408 V457 F458 K463 S464 I465 I535 Q536 L539 | P186-F461 HydrophobicContact CB-CD1 4.27Å; P186-F461 HydrophobicContact CB-CE1 4.28Å; P186-F461 HydrophobicContact CG-CD1 3.98Å; P186-F461 HydrophobicContact CG-CE1 4.21Å; L408-F461 HydrophobicContact CD2-CZ 4.31Å; V457-F461 HydrophobicContact CG1-CD2 3.87Å; V457-F461 HydrophobicContact CG1-CE2 3.41Å; V457-F461 VanDerWaalsContact CG1-CE2 3.41Å; V457-F461 HydrophobicContact CG1-CZ 4.36Å; V457-F461 WeakPolarHBondContact O-CD2 3Å; V457-F461 PolarHBondContact O-N 3.46Å; F458-F461 PolarHBondContact O-N 3.29Å; F461-K463 PolarHBondContact O-N 3.35Å; F461-K463 VanDerWaalsContact O-N 3.12Å; F461-S464 WeakPolarHBondContact O-CA 3.44Å; F461-S464 PolarHBondContact O-N 3.48Å; F461-I465 WeakPolarHBondContact O-CG1 3.21Å; F461-I465 PolarHBondContact O-N 3.03Å; F461-I535 HydrophobicContact CE2-CB 4.42Å; F461-I535 HydrophobicContact CE2-CG2 3.79Å; F461-Q536 HydrophobicContact CD1-CG 3.83Å; F461-Q536 VanDerWaalsContact CD1-NE2 3.31Å; F461-Q536 HydrophobicContact CD2-CG 4.33Å; F461-Q536 HydrophobicContact CE1-CG 3.68Å; F461-Q536 HydrophobicContact CE2-CG 4.16Å; F461-Q536 HydrophobicContact CG-CG 4.18Å; F461-Q536 HydrophobicContact CZ-CG 3.85Å; F461-L539 HydrophobicContact CB-CD1 4Å; F461-L539 HydrophobicContact CD2-CD1 3.75Å; F461-L539 HydrophobicContact CG-CD1 4.29Å |
| 462 | D | 72.1 | Confident | 73.1 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.5 | -35.6 | 178.8 | -81.1 | -13.8 | 0 | 0 | 0 | 112.2 | F458 S464 I465 S466 | F458-D462 PolarHBondContact O-N 3.41Å; D462-S464 VanDerWaalsContact C-N 3.31Å; D462-S464 PolarHBondContact O-N 3.46Å; D462-I465 PolarHBondContact O-N 2.93Å; D462-S466 WeakPolarHBondContact O-CB 3.24Å; D462-S466 PolarHBondContact O-N 3.07Å; D462-S466 PolarHBondContact O-OG 3.39Å |
| 463 | K | 72 | Confident | 74.6 | Confident | 60 Ų | 60 | 44 Ų | 44 | 26% | 0.261 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.6 | -26.5 | 176.5 | -83.8 | 173.2 | 140.3 | -154.9 | 0 | 114.5 | W320 Y454 Q459 F461 S466 | W320-K463 HydrophobicContact CH2-CB 3.39Å; W320-K463 HydrophobicContact CH2-CD 3.37Å; W320-K463 HydrophobicContact CH2-CG 3.53Å; W320-K463 HydrophobicContact CZ2-CB 4.08Å; W320-K463 HydrophobicContact CZ2-CD 3.93Å; W320-K463 HydrophobicContact CZ2-CG 4.41Å; W320-K463 HydrophobicContact CZ3-CB 4.07Å; W320-K463 HydrophobicContact CZ3-CD 4.46Å; W320-K463 HydrophobicContact CZ3-CG 4.28Å; Y454-K463 HydrophobicContact CD1-CD 4.09Å; Y454-K463 HydrophobicContact CE1-CD 3.41Å; Y454-K463 VanDerWaalsContact CE1-CD 3.41Å; Q459-K463 WeakPolarHBondContact O-CD 3.37Å; Q459-K463 WeakPolarHBondContact O-CG 3.45Å; F461-K463 PolarHBondContact O-N 3.35Å; F461-K463 VanDerWaalsContact O-N 3.12Å; K463-S466 PolarHBondContact O-OG 3.01Å; K463-S466 VanDerWaalsContact O-OG 3.11Å |
| 464 | S | 75 | Confident | 76.2 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -84.8 | -33.7 | 173.8 | -44.3 | 0 | 0 | 0 | 0 | 110.6 | P186 F461 D462 | P186-S464 WeakPolarHBondContact CG-OG 3.05Å; F461-S464 WeakPolarHBondContact O-CA 3.44Å; F461-S464 PolarHBondContact O-N 3.48Å; D462-S464 VanDerWaalsContact C-N 3.31Å; D462-S464 PolarHBondContact O-N 3.46Å |
| 465 | I | 80.5 | Confident | 77.6 | Confident | 24 Ų | 24 | 44 Ų | 44 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69 | -37.2 | 176 | -62.3 | 168.5 | 0 | 0 | 0 | 111 | F461 D462 L467 L468 Q473 Y476 L516 | F461-I465 WeakPolarHBondContact O-CG1 3.21Å; F461-I465 PolarHBondContact O-N 3.03Å; D462-I465 PolarHBondContact O-N 2.93Å; I465-L467 PolarHBondContact O-N 3.06Å; I465-L468 WeakPolarHBondContact O-CB 3.44Å; I465-L468 PolarHBondContact O-N 3.14Å; I465-L468 VanDerWaalsContact O-N 3.09Å; I465-Q473 HydrophobicContact CG2-CG 4.19Å; I465-Q473 PolarHBondContact O-NE2 3.45Å; I465-Y476 HydrophobicContact CD1-CD1 4.35Å; I465-Y476 HydrophobicContact CD1-CE1 3.82Å; I465-Y476 HydrophobicContact CG1-CD1 4.35Å; I465-Y476 HydrophobicContact CG1-CE1 4Å; I465-L516 HydrophobicContact CG1-CD1 4.5Å; I465-L516 HydrophobicContact CG1-CD2 3.97Å |
| 466 | S | 79.6 | Confident | 79 | Confident | 67 Ų | 67 | 39.5 Ų | 39.5 | 47% | 0.469 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.3 | -179.2 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | D462 K463 L468 | D462-S466 WeakPolarHBondContact O-CB 3.24Å; D462-S466 PolarHBondContact O-N 3.07Å; D462-S466 PolarHBondContact O-OG 3.39Å; K463-S466 PolarHBondContact O-OG 3.01Å; K463-S466 VanDerWaalsContact O-OG 3.11Å; S466-L468 VanDerWaalsContact C-N 3.31Å |
| 467 | L | 75.8 | Confident | 80.1 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -18.9 | 173.8 | -65.9 | 171.7 | 0 | 0 | 0 | 112.7 | I465 Y514 | I465-L467 PolarHBondContact O-N 3.06Å; L467-Y514 HydrophobicContact CB-CD1 4.35Å; L467-Y514 HydrophobicContact CB-CE1 4.21Å; L467-Y514 HydrophobicContact CD1-CD1 3.98Å; L467-Y514 HydrophobicContact CD1-CE1 4.15Å |
| 468 | L | 83.4 | Confident | 81.1 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -76.7 | 147.7 | 177.2 | -63.1 | 172.7 | 0 | 0 | 0 | 111.2 | I465 S466 N472 Q473 Y511 Y514 L516 | I465-L468 WeakPolarHBondContact O-CB 3.44Å; I465-L468 PolarHBondContact O-N 3.14Å; I465-L468 VanDerWaalsContact O-N 3.09Å; S466-L468 VanDerWaalsContact C-N 3.31Å; L468-N472 HydrophobicContact CB-CB 4.09Å; L468-N472 HydrophobicContact CD2-CB 4.39Å; L468-Q473 HydrophobicContact CB-CG 3.77Å; L468-Q473 PolarHBondContact O-NE2 3.44Å; L468-Y511 HydrophobicContact CD1-CD1 3.93Å; L468-Y511 HydrophobicContact CD1-CE1 3.59Å; L468-Y511 HydrophobicContact CD2-CD1 3.85Å; L468-Y511 HydrophobicContact CD2-CE1 3.89Å; L468-Y511 HydrophobicContact CG-CE1 4.39Å; L468-Y514 HydrophobicContact CD2-CD2 3.65Å; L468-Y514 HydrophobicContact CD2-CE2 3.98Å; L468-L516 HydrophobicContact CD1-CD1 3.52Å; L468-L516 HydrophobicContact CG-CD1 4.17Å |
| 469 | S | 84.7 | Confident | 82.1 | Confident | 51 Ų | 51 | 47 Ų | 47 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | trans | -58.5 | 153.1 | 169.6 | 69.4 | 0 | 0 | 0 | 0 | 111 | E471 N472 Q473 | S469-E471 PolarHBondContact O-N 3.26Å; S469-E471 VanDerWaalsContact O-N 3.11Å; S469-N472 PolarHBondContact O-N 3.33Å; S469-N472 WeakPolarHBondContact OG-CB 3.32Å; S469-N472 VanDerWaalsContact OG-CG 3.24Å; S469-N472 PolarHBondContact OG-N 2.95Å; S469-N472 PolarHBondContact OG-ND2 3.48Å; S469-Q473 WeakPolarHBondContact O-CG 2.89Å; S469-Q473 PolarHBondContact O-N 3.25Å | ||
| 470 | P | 84.3 | Confident | 83.1 | Confident | 109 Ų | 109 | 43.7 Ų | 43.7 | 71% | 0.708 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -55 | -34 | 179.5 | -25 | 33.2 | 0 | 0 | 0 | 113.2 | A474 | P470-A474 PolarHBondContact O-N 3.31Å; P470-A474 VanDerWaalsContact O-N 3.15Å |
| 471 | E | 88.1 | Confident | 84.1 | Confident | 123 Ų | 123 | 43.7 Ų | 43.7 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.1 | -47.3 | 174.7 | -171.5 | 175.8 | -166.8 | 0 | 0 | 111.8 | S469 Q473 A474 Y475 | S469-E471 PolarHBondContact O-N 3.26Å; S469-E471 VanDerWaalsContact O-N 3.11Å; E471-Q473 VanDerWaalsContact C-N 3.31Å; E471-Q473 PolarHBondContact O-N 3.25Å; E471-A474 WeakPolarHBondContact O-CB 3.48Å; E471-A474 PolarHBondContact O-N 3.45Å; E471-A474 VanDerWaalsContact O-N 3.15Å; E471-Y475 HydrophobicContact CG-CD2 4.44Å; E471-Y475 HydrophobicContact CG-CE2 3.74Å; E471-Y475 PolarHBondContact O-N 3.06Å; E471-Y475 PolarHBondContact OE1-OH 3.4Å |
| 472 | N | 89.6 | Confident | 84.8 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -29.6 | 177.6 | -71.1 | -13.5 | 0 | 0 | 0 | 112.6 | L468 S469 Y475 Y476 Y511 | L468-N472 HydrophobicContact CB-CB 4.09Å; L468-N472 HydrophobicContact CD2-CB 4.39Å; S469-N472 PolarHBondContact O-N 3.33Å; S469-N472 WeakPolarHBondContact OG-CB 3.32Å; S469-N472 VanDerWaalsContact OG-CG 3.24Å; S469-N472 PolarHBondContact OG-N 2.95Å; S469-N472 PolarHBondContact OG-ND2 3.48Å; N472-Y475 PolarHBondContact O-N 2.73Å; N472-Y476 WeakPolarHBondContact O-CB 3.43Å; N472-Y476 PolarHBondContact O-N 3.48Å; N472-Y511 HydrophobicContact CB-CE1 4.42Å; N472-Y511 PolarHBondContact O-OH 3.3Å |
| 473 | Q | 86.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 23% | 0.229 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 171.2 | -68.4 | 178.5 | 16.6 | 0 | 0 | 111.2 | I465 L468 S469 E471 Y476 R477 | I465-Q473 HydrophobicContact CG2-CG 4.19Å; I465-Q473 PolarHBondContact O-NE2 3.45Å; L468-Q473 HydrophobicContact CB-CG 3.77Å; L468-Q473 PolarHBondContact O-NE2 3.44Å; S469-Q473 WeakPolarHBondContact O-CG 2.89Å; S469-Q473 PolarHBondContact O-N 3.25Å; E471-Q473 VanDerWaalsContact C-N 3.31Å; E471-Q473 PolarHBondContact O-N 3.25Å; Q473-Y476 PolarHBondContact O-N 3.49Å; Q473-R477 WeakPolarHBondContact O-CG 3.11Å; Q473-R477 PolarHBondContact O-N 3.49Å |
| 474 | A | 88 | Confident | 85.2 | Confident | 40 Ų | 40 | 43 Ų | 43 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | P470 E471 R477 R478 | P470-A474 PolarHBondContact O-N 3.31Å; P470-A474 VanDerWaalsContact O-N 3.15Å; E471-A474 WeakPolarHBondContact O-CB 3.48Å; E471-A474 PolarHBondContact O-N 3.45Å; E471-A474 VanDerWaalsContact O-N 3.15Å; A474-R477 PolarHBondContact O-N 2.71Å; A474-R478 WeakPolarHBondContact O-CG 3.26Å; A474-R478 PolarHBondContact O-N 3.31Å |
| 475 | Y | 92.1 | Very high | 84.9 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 11% | 0.114 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 172.4 | -66.2 | -34.6 | 0 | 0 | 0 | 112.7 | E471 N472 R478 W497 V507 Y511 | E471-Y475 HydrophobicContact CG-CD2 4.44Å; E471-Y475 HydrophobicContact CG-CE2 3.74Å; E471-Y475 PolarHBondContact O-N 3.06Å; E471-Y475 PolarHBondContact OE1-OH 3.4Å; N472-Y475 PolarHBondContact O-N 2.73Å; Y475-R478 WeakPolarHBondContact O-CB 3.28Å; Y475-R478 PolarHBondContact O-N 3.09Å; Y475-W497 HydrophobicContact CD1-CB 3.86Å; Y475-W497 AromaticContact CD1-CD1 3.69Å; Y475-W497 HydrophobicContact CD1-CD2 4.33Å; Y475-W497 AromaticContact CD1-CG 3.68Å; Y475-W497 HydrophobicContact CD1-CG 3.68Å; Y475-W497 HydrophobicContact CE1-CB 3.94Å; Y475-W497 HydrophobicContact CE1-CG 4.28Å; Y475-W497 HydrophobicContact CG-CD2 4.21Å; Y475-W497 HydrophobicContact CG-CG 4.05Å; Y475-W497 PolarHBondContact O-NE1 3.28Å; Y475-V507 HydrophobicContact CD2-CG1 4.42Å; Y475-V507 HydrophobicContact CD2-CG2 4.43Å; Y475-Y511 VanDerWaalsContact CB-OH 3.32Å; Y475-Y511 WeakPolarHBondContact CB-OH 3.48Å |
| 476 | Y | 90.1 | Very high | 84.9 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 177.9 | -173 | -104.2 | 0 | 0 | 0 | 111.3 | I465 N472 Q473 R478 L479 Y511 L516 Q536 L540 | I465-Y476 HydrophobicContact CD1-CD1 4.35Å; I465-Y476 HydrophobicContact CD1-CE1 3.82Å; I465-Y476 HydrophobicContact CG1-CD1 4.35Å; I465-Y476 HydrophobicContact CG1-CE1 4Å; N472-Y476 WeakPolarHBondContact O-CB 3.43Å; N472-Y476 PolarHBondContact O-N 3.48Å; Q473-Y476 PolarHBondContact O-N 3.49Å; Y476-R478 VanDerWaalsContact C-N 3.26Å; Y476-R478 PolarHBondContact O-N 3.42Å; Y476-L479 HydrophobicContact CD2-CD1 3.94Å; Y476-L479 HydrophobicContact CE2-CD1 4.41Å; Y476-L479 VanDerWaalsContact O-CB 3.31Å; Y476-L479 WeakPolarHBondContact O-CB 3.45Å; Y476-L479 PolarHBondContact O-N 3.36Å; Y476-L479 VanDerWaalsContact O-N 3.09Å; Y476-Y511 WeakPolarHBondContact CA-OH 3.33Å; Y476-Y511 HydrophobicContact CD2-CD2 4.24Å; Y476-Y511 HydrophobicContact CD2-CE1 4.32Å; Y476-Y511 HydrophobicContact CD2-CE2 4.05Å; Y476-Y511 HydrophobicContact CD2-CG 4.48Å; Y476-Y511 PolarHBondContact N-OH 3.11Å; Y476-L516 HydrophobicContact CD2-CD1 4.43Å; Y476-L516 HydrophobicContact CE2-CB 3.89Å; Y476-L516 HydrophobicContact CE2-CD1 4.23Å; Y476-L516 HydrophobicContact CE2-CD2 4.42Å; Y476-L516 HydrophobicContact CE2-CG 4.42Å; Y476-Q536 PolarHBondContact OH-OE1 2.79Å; Y476-L540 HydrophobicContact CD1-CD1 4.22Å; Y476-L540 HydrophobicContact CD1-CD2 4.15Å; Y476-L540 HydrophobicContact CE1-CD1 3.86Å; Y476-L540 HydrophobicContact CE1-CD2 4.06Å; Y476-L540 HydrophobicContact CE1-CG 4.24Å |
| 477 | R | 88.8 | Confident | 84.9 | Confident | 133 Ų | 133 | 45.4 Ų | 45.4 | 50% | 0.502 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.3 | -35.4 | 175 | -72.9 | -179.8 | -173.1 | 178.4 | 2.6 | 113.1 | Q473 A474 L479 V480 L540 I544 | Q473-R477 WeakPolarHBondContact O-CG 3.11Å; Q473-R477 PolarHBondContact O-N 3.49Å; A474-R477 PolarHBondContact O-N 2.71Å; R477-L479 PolarHBondContact O-N 3.05Å; R477-V480 WeakPolarHBondContact O-CB 3.42Å; R477-V480 VanDerWaalsContact O-CG1 3.25Å; R477-V480 WeakPolarHBondContact O-CG1 2.85Å; R477-V480 PolarHBondContact O-N 3.29Å; R477-L540 HydrophobicContact CG-CD2 4.42Å; R477-I544 HydrophobicContact CB-CD1 3.86Å; R477-I544 HydrophobicContact CG-CD1 4.22Å; R477-I544 WeakPolarHBondContact O-CD1 3.1Å |
| 478 | R | 91.4 | Very high | 85.4 | Confident | 55 Ų | 55 | 42.3 Ų | 42.3 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -67.4 | -17.6 | 178.8 | -69.3 | 179.3 | -173.1 | 175.5 | 10.1 | 113.8 | A474 Y475 Y476 V480 L496 Y552 | A474-R478 WeakPolarHBondContact O-CG 3.26Å; A474-R478 PolarHBondContact O-N 3.31Å; Y475-R478 WeakPolarHBondContact O-CB 3.28Å; Y475-R478 PolarHBondContact O-N 3.09Å; Y476-R478 VanDerWaalsContact C-N 3.26Å; Y476-R478 PolarHBondContact O-N 3.42Å; R478-V480 PolarHBondContact O-N 3.25Å; R478-L496 HydrophobicContact CB-CD2 4.32Å; R478-L496 HydrophobicContact CB-CG 4.45Å; R478-Y552 HydrophobicContact CG-CD1 3.8Å; R478-Y552 HydrophobicContact CG-CE1 3.56Å; R478-Y552 HydrophobicContact CG-CG 4.39Å |
| 479 | L | 90.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -70.3 | -10.4 | 176.6 | -61.7 | 169.1 | 0 | 0 | 0 | 112.9 | Y476 R477 I481 F482 L488 L496 W497 Y511 I532 L537 | Y476-L479 HydrophobicContact CD2-CD1 3.94Å; Y476-L479 HydrophobicContact CE2-CD1 4.41Å; Y476-L479 VanDerWaalsContact O-CB 3.31Å; Y476-L479 WeakPolarHBondContact O-CB 3.45Å; Y476-L479 PolarHBondContact O-N 3.36Å; Y476-L479 VanDerWaalsContact O-N 3.09Å; R477-L479 PolarHBondContact O-N 3.05Å; L479-I481 PolarHBondContact O-N 2.8Å; L479-F482 HydrophobicContact CB-CD2 4.32Å; L479-F482 HydrophobicContact CD2-CD2 4.04Å; L479-F482 HydrophobicContact CD2-CE2 3.78Å; L479-F482 WeakPolarHBondContact O-CD2 3.47Å; L479-F482 PolarHBondContact O-N 2.99Å; L479-F482 VanDerWaalsContact O-N 3.13Å; L479-L488 HydrophobicContact CD2-CD1 4.17Å; L479-L496 HydrophobicContact CD2-CD2 3.85Å; L479-W497 HydrophobicContact CD1-CZ2 4.23Å; L479-W497 HydrophobicContact CD2-CZ2 3.84Å; L479-W497 HydrophobicContact CG-CZ2 4.16Å; L479-Y511 HydrophobicContact CD1-CD2 4.35Å; L479-Y511 HydrophobicContact CD1-CE2 3.95Å; L479-I532 HydrophobicContact CB-CD1 3.53Å; L479-I532 HydrophobicContact CD1-CD1 3.64Å; L479-I532 HydrophobicContact CD1-CG1 4.41Å; L479-I532 HydrophobicContact CD2-CD1 4.26Å; L479-I532 HydrophobicContact CG-CD1 3.99Å; L479-L537 WeakPolarHBondContact O-CD2 2.92Å |
| 480 | V | 89.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -55.5 | -23.2 | 180 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | R477 R478 F482 L540 K541 I544 Q549 Y552 | R477-V480 WeakPolarHBondContact O-CB 3.42Å; R477-V480 VanDerWaalsContact O-CG1 3.25Å; R477-V480 WeakPolarHBondContact O-CG1 2.85Å; R477-V480 PolarHBondContact O-N 3.29Å; R478-V480 PolarHBondContact O-N 3.25Å; V480-F482 PolarHBondContact O-N 3.45Å; V480-L540 HydrophobicContact CB-CB 4.06Å; V480-L540 HydrophobicContact CG2-CB 3.76Å; V480-K541 HydrophobicContact CG2-CB 4.26Å; V480-K541 HydrophobicContact CG2-CG 3.61Å; V480-I544 HydrophobicContact CB-CD1 3.86Å; V480-I544 HydrophobicContact CG1-CD1 3.85Å; V480-I544 HydrophobicContact CG2-CD1 4.1Å; V480-Q549 HydrophobicContact CG1-CG 4.04Å; V480-Q549 HydrophobicContact CG2-CG 4.28Å; V480-Y552 HydrophobicContact CG1-CD2 4.01Å |
| 481 | I | 88.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -73.1 | -8.9 | -178.5 | 67 | 171.9 | 0 | 0 | 0 | 113.9 | L479 L496 Y552 H553 F556 | L479-I481 PolarHBondContact O-N 2.8Å; I481-L496 HydrophobicContact CD1-CD1 3.55Å; I481-L496 HydrophobicContact CG1-CD1 4.48Å; I481-Y552 HydrophobicContact CG2-CG 4.48Å; I481-H553 PolarHBondContact O-CE1 3.26Å; I481-F556 HydrophobicContact CD1-CB 3.82Å; I481-F556 HydrophobicContact CD1-CD1 4.17Å; I481-F556 HydrophobicContact CD1-CD2 4.4Å; I481-F556 HydrophobicContact CD1-CG 3.91Å |
| 482 | F | 89.6 | Confident | 86 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -93.9 | 152.9 | -179.7 | -59.7 | -54.7 | 0 | 0 | 0 | 111.7 | L479 V480 L488 V492 L496 F556 Y579 | L479-F482 HydrophobicContact CB-CD2 4.32Å; L479-F482 HydrophobicContact CD2-CD2 4.04Å; L479-F482 HydrophobicContact CD2-CE2 3.78Å; L479-F482 WeakPolarHBondContact O-CD2 3.47Å; L479-F482 PolarHBondContact O-N 2.99Å; L479-F482 VanDerWaalsContact O-N 3.13Å; V480-F482 PolarHBondContact O-N 3.45Å; F482-L488 HydrophobicContact CD1-CD2 3.93Å; F482-L488 HydrophobicContact CD2-CD1 3.42Å; F482-L488 VanDerWaalsContact CD2-CD1 3.42Å; F482-L488 HydrophobicContact CD2-CD2 4.02Å; F482-L488 HydrophobicContact CD2-CG 4.35Å; F482-L488 HydrophobicContact CE1-CD2 3.79Å; F482-L488 HydrophobicContact CE2-CD1 3.5Å; F482-L488 HydrophobicContact CE2-CD2 3.84Å; F482-L488 HydrophobicContact CE2-CG 4.33Å; F482-L488 HydrophobicContact CG-CD1 4.08Å; F482-L488 HydrophobicContact CG-CD2 4.04Å; F482-L488 HydrophobicContact CZ-CD1 4.26Å; F482-L488 HydrophobicContact CZ-CD2 3.73Å; F482-V492 HydrophobicContact CZ-CG1 4.46Å; F482-L496 HydrophobicContact CE2-CD2 3.62Å; F482-L496 HydrophobicContact CZ-CD2 3.97Å; F482-F556 HydrophobicContact CE1-CE1 4.44Å; F482-F556 HydrophobicContact CE1-CZ 4.14Å; F482-F556 HydrophobicContact CZ-CE2 4.33Å; F482-F556 HydrophobicContact CZ-CZ 4.25Å; F482-Y579 AromaticContact CD1-CE1 3.94Å; F482-Y579 HydrophobicContact CD1-CE1 3.94Å; F482-Y579 HydrophobicContact CD1-CE2 4.27Å; F482-Y579 AromaticContact CD1-CZ 3.54Å; F482-Y579 VanDerWaalsContact CD1-OH 3.22Å; F482-Y579 WeakPolarHBondContact CD1-OH 3.29Å; F482-Y579 HydrophobicContact CE1-CD1 4.33Å; F482-Y579 AromaticContact CE1-CE1 3.48Å; F482-Y579 HydrophobicContact CE1-CE1 3.48Å; F482-Y579 VanDerWaalsContact CE1-CE1 3.48Å; F482-Y579 AromaticContact CE1-CZ 3.62Å |
| 483 | E | 81.8 | Confident | 86.1 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 32% | 0.318 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -87.7 | 155.2 | 172.8 | -65.6 | -61.3 | 171 | 0 | 0 | 111.9 | I486 K541 K590 | E483-I486 HydrophobicContact CB-CD1 3.69Å; E483-I486 WeakPolarHBondContact O-CD1 3.4Å; E483-K541 IonicContact OE1-NZ 2.72Å; E483-K541 IonicContact OE2-NZ 3.23Å; E483-K541 PolarHBondContact OE2-NZ 2.88Å; E483-K590 IonicContact OE1-NZ 3.71Å; E483-K590 PolarHBondContact OE1-NZ 2.92Å |
| 484 | P | 71.7 | Confident | 86.2 | Confident | 41 Ų | 41 | 28.1 Ų | 28.1 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 140.5 | 178.6 | 25.1 | -36.1 | 0 | 0 | 0 | 112.1 | Y406 I486 L537 | Y406-P484 HydrophobicContact CD1-CB 4.19Å; Y406-P484 HydrophobicContact CE1-CB 3.48Å; Y406-P484 VanDerWaalsContact CE1-CB 3.48Å; Y406-P484 HydrophobicContact CE1-CG 3.6Å; P484-I486 VanDerWaalsContact C-N 3.35Å; P484-I486 PolarHBondContact O-N 3.29Å; P484-L537 HydrophobicContact CB-CD1 4.4Å |
| 485 | G | 68.6 | Low | 86.3 | Confident | 47 Ų | 47 | 26.8 Ų | 26.8 | 49% | 0.485 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -6.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | V487 | G485-V487 PolarHBondContact O-N 3.42Š|
| 486 | I | 79.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 25.7 Ų | 25.7 | 18% | 0.179 | 14% | 0.135 | C | C | . | . | trans | -67.7 | 131.9 | 175.6 | -71.9 | 157.8 | 0 | 0 | 0 | 110.8 | E483 P484 L488 Y579 | E483-I486 HydrophobicContact CB-CD1 3.69Å; E483-I486 WeakPolarHBondContact O-CD1 3.4Å; P484-I486 VanDerWaalsContact C-N 3.35Å; P484-I486 PolarHBondContact O-N 3.29Å; I486-L488 HydrophobicContact CG2-CD2 3.7Å; I486-L488 HydrophobicContact CG2-CG 4.17Å; I486-Y579 HydrophobicContact CB-CE2 4.43Å; I486-Y579 HydrophobicContact CD1-CE2 3.68Å; I486-Y579 HydrophobicContact CG1-CE2 4.17Å; I486-Y579 HydrophobicContact CG2-CD2 3.53Å; I486-Y579 HydrophobicContact CG2-CE2 3.49Å; I486-Y579 VanDerWaalsContact CG2-CE2 3.49Å | ||
| 487 | V | 80.9 | Confident | 86.4 | Confident | 63 Ų | 63 | 25.9 Ų | 25.9 | 38% | 0.382 | 14% | 0.136 | S | C | . | . | trans | -88.2 | 115.5 | 171.8 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | G485 I522 T531 | G485-V487 PolarHBondContact O-N 3.42Å; V487-I522 HydrophobicContact CG1-CD1 3.7Å; V487-I522 HydrophobicContact CG1-CG1 4.03Å; V487-T531 HydrophobicContact CB-CG2 4.21Å; V487-T531 HydrophobicContact CG1-CG2 4.41Å; V487-T531 HydrophobicContact CG2-CG2 3.72Å | ||
| 488 | L | 86 | Confident | 86.5 | Confident | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -99.7 | 134.4 | -179.3 | -59.6 | 170.3 | 0 | 0 | 0 | 110.7 | L479 F482 I486 V492 G529 Y530 I532 | L479-L488 HydrophobicContact CD2-CD1 4.17Å; F482-L488 HydrophobicContact CD1-CD2 3.93Å; F482-L488 HydrophobicContact CD2-CD1 3.42Å; F482-L488 VanDerWaalsContact CD2-CD1 3.42Å; F482-L488 HydrophobicContact CD2-CD2 4.02Å; F482-L488 HydrophobicContact CD2-CG 4.35Å; F482-L488 HydrophobicContact CE1-CD2 3.79Å; F482-L488 HydrophobicContact CE2-CD1 3.5Å; F482-L488 HydrophobicContact CE2-CD2 3.84Å; F482-L488 HydrophobicContact CE2-CG 4.33Å; F482-L488 HydrophobicContact CG-CD1 4.08Å; F482-L488 HydrophobicContact CG-CD2 4.04Å; F482-L488 HydrophobicContact CZ-CD1 4.26Å; F482-L488 HydrophobicContact CZ-CD2 3.73Å; I486-L488 HydrophobicContact CG2-CD2 3.7Å; I486-L488 HydrophobicContact CG2-CG 4.17Å; L488-V492 HydrophobicContact CD2-CG1 4.3Å; L488-G529 CarbonylContact O-C 3.32Å; L488-G529 VanDerWaalsContact O-CA 3.32Å; L488-G529 WeakPolarHBondContact O-CA 3.35Å; L488-Y530 PolarHBondContact N-O 3.05Å; L488-Y530 PolarHBondContact O-N 3.18Å; L488-I532 HydrophobicContact CD1-CD1 4.4Å |
| 489 | T | 88.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 21.9 Ų | 21.9 | 7% | 0.067 | 14% | 0.138 | C | C | . | . | trans | -88.6 | 152.6 | 173.7 | 57.3 | 0 | 0 | 0 | 0 | 111 | K491 V492 C493 I522 E576 | T489-K491 PolarHBondContact O-N 3.34Å; T489-K491 VanDerWaalsContact O-N 3.15Å; T489-V492 PolarHBondContact O-N 2.91Å; T489-V492 WeakPolarHBondContact OG1-CG2 3.11Å; T489-V492 PolarHBondContact OG1-N 2.94Å; T489-C493 PolarHBondContact O-N 3.41Å; T489-C493 VanDerWaalsContact O-N 3.08Å; T489-I522 HydrophobicContact CG2-CD1 3.98Å; T489-E576 PolarHBondContact OG1-O 2.69Å | ||
| 490 | P | 88.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -49.5 | -39.8 | 174.7 | -30.7 | 35.1 | 0 | 0 | 0 | 113.3 | C493 G494 E501 A504 E505 L508 C528 Y530 | P490-C493 PolarHBondContact O-N 3.05Å; P490-G494 PolarHBondContact O-N 3.29Å; P490-E501 HydrophobicContact CB-CG 3.99Å; P490-A504 WeakPolarHBondContact O-CB 3.38Å; P490-E505 HydrophobicContact CB-CB 4.08Å; P490-E505 HydrophobicContact CG-CB 4.27Å; P490-E505 HydrophobicContact CG-CG 4.27Å; P490-L508 HydrophobicContact CB-CD1 4.37Å; P490-L508 HydrophobicContact CG-CD1 4.36Å; P490-C528 WeakPolarHBondContact CD-O 3.41Å; P490-Y530 HydrophobicContact CG-CE2 3.92Å |
| 491 | K | 86.9 | Confident | 86.4 | Confident | 46 Ų | 46 | 27.9 Ų | 27.9 | 20% | 0.2 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.4 | -157.2 | 169.7 | -170.5 | 154.8 | 0 | 114.1 | T489 C493 G494 I495 E501 E576 | T489-K491 PolarHBondContact O-N 3.34Å; T489-K491 VanDerWaalsContact O-N 3.15Å; K491-C493 VanDerWaalsContact C-N 3.34Å; K491-G494 PolarHBondContact O-N 2.9Å; K491-I495 WeakPolarHBondContact O-CG1 3.48Å; K491-I495 PolarHBondContact O-N 3.12Å; K491-E501 HydrophobicContact CB-CG 4.3Å; K491-E501 IonicContact NZ-OE2 3.22Å; K491-E576 HydrophobicContact CD-CB 4.11Å; K491-E576 HydrophobicContact CD-CG 4.46Å; K491-E576 WeakPolarHBondContact CD-OE2 3.43Å; K491-E576 WeakPolarHBondContact CE-OE2 3.31Å; K491-E576 IonicContact NZ-OE2 2.68Å; K491-E576 PolarHBondContact NZ-OE2 2.79Å |
| 492 | V | 90.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | F482 L488 T489 I495 L496 F556 Y560 E576 Y579 | F482-V492 HydrophobicContact CZ-CG1 4.46Å; L488-V492 HydrophobicContact CD2-CG1 4.3Å; T489-V492 PolarHBondContact O-N 2.91Å; T489-V492 WeakPolarHBondContact OG1-CG2 3.11Å; T489-V492 PolarHBondContact OG1-N 2.94Å; V492-I495 PolarHBondContact O-N 3.32Å; V492-L496 PolarHBondContact O-N 3.41Å; V492-F556 HydrophobicContact CG1-CE2 4.21Å; V492-F556 HydrophobicContact CG1-CZ 4Å; V492-Y560 WeakPolarHBondContact CG2-OH 3.45Å; V492-E576 WeakPolarHBondContact CG2-O 3.38Å; V492-Y579 HydrophobicContact CG1-CD1 4.16Å |
| 493 | C | 90 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 175.2 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | T489 P490 K491 I495 L496 W497 A504 L508 | T489-C493 PolarHBondContact O-N 3.41Å; T489-C493 VanDerWaalsContact O-N 3.08Å; P490-C493 PolarHBondContact O-N 3.05Å; K491-C493 VanDerWaalsContact C-N 3.34Å; C493-I495 VanDerWaalsContact C-N 3.33Å; C493-I495 PolarHBondContact O-N 2.95Å; C493-L496 WeakPolarHBondContact O-CB 3.39Å; C493-L496 PolarHBondContact O-N 3.25Å; C493-W497 HydrophobicContact CB-CD2 4.45Å; C493-W497 HydrophobicContact CB-CE3 3.98Å; C493-W497 HydrophobicContact CB-CH2 3.9Å; C493-W497 HydrophobicContact CB-CZ2 4.34Å; C493-W497 HydrophobicContact CB-CZ3 3.7Å; C493-W497 VanDerWaalsContact O-CD2 3.31Å; C493-W497 PolarHBondContact O-N 3.45Å; C493-A504 HydrophobicContact CB-CB 4.43Å; C493-L508 HydrophobicContact CB-CD1 3.93Å |
| 494 | G | 89.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P490 K491 W497 A498 I499 | P490-G494 PolarHBondContact O-N 3.29Å; K491-G494 PolarHBondContact O-N 2.9Å; G494-W497 PolarHBondContact O-N 3.46Å; G494-A498 CarbonylContact O-C 3.58Å; G494-A498 VanDerWaalsContact O-CA 3.29Å; G494-A498 WeakPolarHBondContact O-CA 3.39Å; G494-A498 PolarHBondContact O-N 2.87Å; G494-I499 CarbonylContact C-O 3.51Å; G494-I499 WeakPolarHBondContact CA-O 3.5Å; G494-I499 PolarHBondContact O-N 3.15Å |
| 495 | I | 89.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 174.2 | -64.8 | 167.5 | 0 | 0 | 0 | 111.2 | K491 V492 C493 W497 A498 N559 Y560 F563 H577 | K491-I495 WeakPolarHBondContact O-CG1 3.48Å; K491-I495 PolarHBondContact O-N 3.12Å; V492-I495 PolarHBondContact O-N 3.32Å; C493-I495 VanDerWaalsContact C-N 3.33Å; C493-I495 PolarHBondContact O-N 2.95Å; I495-W497 VanDerWaalsContact C-N 3.33Å; I495-W497 PolarHBondContact O-N 2.51Å; I495-A498 PolarHBondContact O-N 3.49Å; I495-N559 HydrophobicContact CG2-CB 3.81Å; I495-N559 WeakPolarHBondContact O-CB 3.43Å; I495-N559 PolarHBondContact O-ND2 3.03Å; I495-Y560 HydrophobicContact CB-CE2 4.15Å; I495-Y560 HydrophobicContact CD1-CD1 4.16Å; I495-Y560 HydrophobicContact CD1-CE1 3.61Å; I495-Y560 HydrophobicContact CD1-CE2 4.24Å; I495-Y560 HydrophobicContact CG2-CD1 4.39Å; I495-Y560 HydrophobicContact CG2-CD2 3.5Å; I495-Y560 HydrophobicContact CG2-CE2 3.62Å; I495-Y560 HydrophobicContact CG2-CG 3.91Å; I495-F563 HydrophobicContact CD1-CD1 4.01Å; I495-F563 HydrophobicContact CD1-CD2 4.35Å; I495-F563 HydrophobicContact CD1-CE1 4.23Å; I495-F563 HydrophobicContact CD1-CG 4.07Å; I495-F563 HydrophobicContact CG1-CD2 4.28Å; I495-F563 HydrophobicContact CG1-CG 4.32Å; I495-H577 VanDerWaalsContact CD1-CE1 3.48Å; I495-H577 WeakPolarHBondContact CD1-CE1 3.3Å |
| 496 | L | 92.5 | Very high | 88.4 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 175.3 | 176.4 | 66.3 | 0 | 0 | 0 | 112.5 | R478 L479 I481 F482 V492 C493 F556 N559 | R478-L496 HydrophobicContact CB-CD2 4.32Å; R478-L496 HydrophobicContact CB-CG 4.45Å; L479-L496 HydrophobicContact CD2-CD2 3.85Å; I481-L496 HydrophobicContact CD1-CD1 3.55Å; I481-L496 HydrophobicContact CG1-CD1 4.48Å; F482-L496 HydrophobicContact CE2-CD2 3.62Å; F482-L496 HydrophobicContact CZ-CD2 3.97Å; V492-L496 PolarHBondContact O-N 3.41Å; C493-L496 WeakPolarHBondContact O-CB 3.39Å; C493-L496 PolarHBondContact O-N 3.25Å; L496-F556 HydrophobicContact CB-CD2 3.84Å; L496-F556 HydrophobicContact CB-CE2 3.93Å; L496-F556 HydrophobicContact CD1-CB 4.03Å; L496-F556 HydrophobicContact CD1-CD2 3.56Å; L496-F556 HydrophobicContact CD1-CE2 4.29Å; L496-F556 HydrophobicContact CD1-CG 4.1Å; L496-F556 HydrophobicContact CG-CD2 4.32Å; L496-N559 PolarHBondContact O-ND2 2.99Å |
| 497 | W | 93 | Very high | 88.9 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -87.8 | -8.2 | -176.6 | -57.8 | -35.3 | 0 | 0 | 0 | 113.7 | Y475 L479 C493 G494 I495 I499 A504 V507 L508 Y511 | Y475-W497 HydrophobicContact CD1-CB 3.86Å; Y475-W497 AromaticContact CD1-CD1 3.69Å; Y475-W497 HydrophobicContact CD1-CD2 4.33Å; Y475-W497 AromaticContact CD1-CG 3.68Å; Y475-W497 HydrophobicContact CD1-CG 3.68Å; Y475-W497 HydrophobicContact CE1-CB 3.94Å; Y475-W497 HydrophobicContact CE1-CG 4.28Å; Y475-W497 HydrophobicContact CG-CD2 4.21Å; Y475-W497 HydrophobicContact CG-CG 4.05Å; Y475-W497 PolarHBondContact O-NE1 3.28Å; L479-W497 HydrophobicContact CD1-CZ2 4.23Å; L479-W497 HydrophobicContact CD2-CZ2 3.84Å; L479-W497 HydrophobicContact CG-CZ2 4.16Å; C493-W497 HydrophobicContact CB-CD2 4.45Å; C493-W497 HydrophobicContact CB-CE3 3.98Å; C493-W497 HydrophobicContact CB-CH2 3.9Å; C493-W497 HydrophobicContact CB-CZ2 4.34Å; C493-W497 HydrophobicContact CB-CZ3 3.7Å; C493-W497 VanDerWaalsContact O-CD2 3.31Å; C493-W497 PolarHBondContact O-N 3.45Å; G494-W497 PolarHBondContact O-N 3.46Å; I495-W497 VanDerWaalsContact C-N 3.33Å; I495-W497 PolarHBondContact O-N 2.51Å; W497-I499 VanDerWaalsContact C-N 3.34Å; W497-I499 HydrophobicContact CB-CD1 4.07Å; W497-I499 HydrophobicContact CB-CG1 3.98Å; W497-I499 HydrophobicContact CB-CG2 4.4Å; W497-I499 HydrophobicContact CE3-CD1 3.76Å; W497-I499 HydrophobicContact CE3-CG1 4.36Å; W497-A504 HydrophobicContact CE3-CB 3.96Å; W497-A504 HydrophobicContact CZ3-CB 3.93Å; W497-V507 HydrophobicContact CH2-CB 4.35Å; W497-V507 HydrophobicContact CH2-CG1 3.83Å; W497-V507 HydrophobicContact CZ3-CB 3.99Å; W497-V507 HydrophobicContact CZ3-CG1 3.91Å; W497-L508 HydrophobicContact CH2-CD2 3.83Å; W497-L508 HydrophobicContact CH2-CG 3.93Å; W497-L508 HydrophobicContact CZ3-CG 4.19Å; W497-Y511 AromaticContact CH2-CE2 3.84Å; W497-Y511 HydrophobicContact CH2-CE2 3.84Å; W497-Y511 AromaticContact CZ2-CE2 3.91Å; W497-Y511 HydrophobicContact CZ2-CE2 3.91Å |
| 498 | A | 90.8 | Very high | 89.3 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 60% | 0.603 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 43.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G494 I495 | G494-A498 CarbonylContact O-C 3.58Å; G494-A498 VanDerWaalsContact O-CA 3.29Å; G494-A498 WeakPolarHBondContact O-CA 3.39Å; G494-A498 PolarHBondContact O-N 2.87Å; I495-A498 PolarHBondContact O-N 3.49Å |
| 499 | I | 91.5 | Very high | 89.2 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -124.9 | 157.8 | 177.3 | 67.9 | -178.9 | 0 | 0 | 0 | 110.7 | G494 W497 K503 A504 | G494-I499 CarbonylContact C-O 3.51Å; G494-I499 WeakPolarHBondContact CA-O 3.5Å; G494-I499 PolarHBondContact O-N 3.15Å; W497-I499 VanDerWaalsContact C-N 3.34Å; W497-I499 HydrophobicContact CB-CD1 4.07Å; W497-I499 HydrophobicContact CB-CG1 3.98Å; W497-I499 HydrophobicContact CB-CG2 4.4Å; W497-I499 HydrophobicContact CE3-CD1 3.76Å; W497-I499 HydrophobicContact CE3-CG1 4.36Å; I499-K503 HydrophobicContact CD1-CB 4.07Å; I499-K503 HydrophobicContact CG1-CB 4.4Å; I499-A504 HydrophobicContact CD1-CB 4.15Å; I499-A504 HydrophobicContact CG1-CB 4.15Å |
| 500 | P | 89.7 | Confident | 88.9 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | trans | -56.6 | 149 | 173.3 | -23.8 | 33.7 | 0 | 0 | 0 | 112.7 | D502 K503 A504 | P500-D502 VanDerWaalsContact C-N 3.31Å; P500-D502 PolarHBondContact O-N 3.4Å; P500-K503 PolarHBondContact O-N 2.9Å; P500-K503 VanDerWaalsContact O-N 3.09Å; P500-A504 PolarHBondContact O-N 2.9Å | ||
| 501 | E | 87 | Confident | 88.9 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.2 | -44.3 | -179.1 | -177.3 | 168.3 | -174.7 | 0 | 0 | 112.6 | P490 K491 K503 A504 E505 | P490-E501 HydrophobicContact CB-CG 3.99Å; K491-E501 HydrophobicContact CB-CG 4.3Å; K491-E501 IonicContact NZ-OE2 3.22Å; E501-K503 VanDerWaalsContact C-N 3.31Å; E501-K503 PolarHBondContact O-N 2.9Å; E501-A504 WeakPolarHBondContact O-CA 2.91Å; E501-A504 WeakPolarHBondContact O-CB 2.85Å; E501-A504 PolarHBondContact O-N 2.96Å; E501-E505 PolarHBondContact O-N 3.22Å |
| 502 | D | 87 | Confident | 88.6 | Confident | 122 Ų | 122 | 40.4 Ų | 40.4 | 65% | 0.652 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.5 | -41.8 | 178.5 | -48 | -29.8 | 0 | 0 | 0 | 112.1 | P500 E505 M506 | P500-D502 VanDerWaalsContact C-N 3.31Å; P500-D502 PolarHBondContact O-N 3.4Å; D502-E505 PolarHBondContact O-N 3Å; D502-M506 WeakPolarHBondContact O-CG 3.29Å; D502-M506 PolarHBondContact O-N 3.31Å; D502-M506 VanDerWaalsContact O-N 3.11Å |
| 503 | K | 88.5 | Confident | 87.9 | Confident | 128 Ų | 128 | 43.1 Ų | 43.1 | 56% | 0.557 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.9 | -36.8 | 176.7 | -68.6 | -165.7 | -178.6 | -177.5 | 0 | 111.4 | I499 P500 E501 M506 V507 | I499-K503 HydrophobicContact CD1-CB 4.07Å; I499-K503 HydrophobicContact CG1-CB 4.4Å; P500-K503 PolarHBondContact O-N 2.9Å; P500-K503 VanDerWaalsContact O-N 3.09Å; E501-K503 VanDerWaalsContact C-N 3.31Å; E501-K503 PolarHBondContact O-N 2.9Å; K503-M506 PolarHBondContact O-N 3.11Å; K503-V507 WeakPolarHBondContact O-CG2 3.22Å; K503-V507 PolarHBondContact O-N 3.06Å |
| 504 | A | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P490 C493 W497 I499 P500 E501 M506 V507 L508 | P490-A504 WeakPolarHBondContact O-CB 3.38Å; C493-A504 HydrophobicContact CB-CB 4.43Å; W497-A504 HydrophobicContact CE3-CB 3.96Å; W497-A504 HydrophobicContact CZ3-CB 3.93Å; I499-A504 HydrophobicContact CD1-CB 4.15Å; I499-A504 HydrophobicContact CG1-CB 4.15Å; P500-A504 PolarHBondContact O-N 2.9Å; E501-A504 WeakPolarHBondContact O-CA 2.91Å; E501-A504 WeakPolarHBondContact O-CB 2.85Å; E501-A504 PolarHBondContact O-N 2.96Å; A504-M506 VanDerWaalsContact C-N 3.33Å; A504-M506 PolarHBondContact O-N 3.11Å; A504-V507 PolarHBondContact O-N 3.49Å; A504-L508 WeakPolarHBondContact O-CB 3.25Å; A504-L508 VanDerWaalsContact O-CG 3.3Å; A504-L508 WeakPolarHBondContact O-CG 3.49Å; A504-L508 PolarHBondContact O-N 3.44Å |
| 505 | E | 88.8 | Confident | 86.5 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 174.4 | -168.9 | 174.2 | -177 | 0 | 0 | 111.4 | P490 E501 D502 V507 L508 S509 R519 | P490-E505 HydrophobicContact CB-CB 4.08Å; P490-E505 HydrophobicContact CG-CB 4.27Å; P490-E505 HydrophobicContact CG-CG 4.27Å; E501-E505 PolarHBondContact O-N 3.22Å; D502-E505 PolarHBondContact O-N 3Å; E505-V507 PolarHBondContact O-N 2.72Å; E505-L508 PolarHBondContact O-N 3.32Å; E505-S509 WeakPolarHBondContact O-CB 3.33Å; E505-S509 PolarHBondContact O-N 2.84Å; E505-S509 PolarHBondContact O-OG 2.83Å; E505-R519 IonicContact OE1-NH2 3.58Å; E505-R519 PolarHBondContact OE1-NH2 3.2Å |
| 506 | M | 87.6 | Confident | 86.1 | Confident | 127 Ų | 127 | 45 Ų | 45 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61 | -41.6 | 174 | -70.8 | -179.8 | 69.4 | 0 | 0 | 113 | D502 K503 A504 S509 L510 | D502-M506 WeakPolarHBondContact O-CG 3.29Å; D502-M506 PolarHBondContact O-N 3.31Å; D502-M506 VanDerWaalsContact O-N 3.11Å; K503-M506 PolarHBondContact O-N 3.11Å; A504-M506 VanDerWaalsContact C-N 3.33Å; A504-M506 PolarHBondContact O-N 3.11Å; M506-S509 WeakPolarHBondContact CA-OG 3.36Å; M506-S509 PolarHBondContact O-N 3.03Å; M506-S509 PolarHBondContact O-OG 2.97Å; M506-L510 WeakPolarHBondContact O-CG 3.28Å; M506-L510 PolarHBondContact O-N 2.76Å |
| 507 | V | 89.2 | Confident | 85.6 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.9 | -42.2 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | Y475 W497 K503 A504 E505 L510 Y511 | Y475-V507 HydrophobicContact CD2-CG1 4.42Å; Y475-V507 HydrophobicContact CD2-CG2 4.43Å; W497-V507 HydrophobicContact CH2-CB 4.35Å; W497-V507 HydrophobicContact CH2-CG1 3.83Å; W497-V507 HydrophobicContact CZ3-CB 3.99Å; W497-V507 HydrophobicContact CZ3-CG1 3.91Å; K503-V507 WeakPolarHBondContact O-CG2 3.22Å; K503-V507 PolarHBondContact O-N 3.06Å; A504-V507 PolarHBondContact O-N 3.49Å; E505-V507 PolarHBondContact O-N 2.72Å; V507-L510 WeakPolarHBondContact O-CB 3.37Å; V507-L510 PolarHBondContact O-N 3.06Å; V507-Y511 HydrophobicContact CG1-CD2 4.43Å; V507-Y511 HydrophobicContact CG1-CE1 3.86Å; V507-Y511 HydrophobicContact CG1-CE2 3.72Å; V507-Y511 WeakPolarHBondContact CG1-OH 3.45Å; V507-Y511 PolarHBondContact O-N 3.23Å |
| 508 | L | 89.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | 176.3 | -70.8 | 167.4 | 0 | 0 | 0 | 111.8 | P490 C493 W497 A504 E505 L510 Y511 T512 Y530 | P490-L508 HydrophobicContact CB-CD1 4.37Å; P490-L508 HydrophobicContact CG-CD1 4.36Å; C493-L508 HydrophobicContact CB-CD1 3.93Å; W497-L508 HydrophobicContact CH2-CD2 3.83Å; W497-L508 HydrophobicContact CH2-CG 3.93Å; W497-L508 HydrophobicContact CZ3-CG 4.19Å; A504-L508 WeakPolarHBondContact O-CB 3.25Å; A504-L508 VanDerWaalsContact O-CG 3.3Å; A504-L508 WeakPolarHBondContact O-CG 3.49Å; A504-L508 PolarHBondContact O-N 3.44Å; E505-L508 PolarHBondContact O-N 3.32Å; L508-L510 VanDerWaalsContact C-N 3.32Å; L508-L510 PolarHBondContact O-N 3.14Å; L508-Y511 HydrophobicContact CD2-CD2 4.15Å; L508-Y511 WeakPolarHBondContact O-CB 3.16Å; L508-Y511 PolarHBondContact O-N 2.71Å; L508-Y511 VanDerWaalsContact O-N 3.15Å; L508-T512 WeakPolarHBondContact O-CG2 3.44Å; L508-T512 PolarHBondContact O-N 3.19Å; L508-Y530 HydrophobicContact CB-CD1 3.75Å; L508-Y530 HydrophobicContact CB-CD2 4.12Å; L508-Y530 HydrophobicContact CB-CE1 3.56Å; L508-Y530 HydrophobicContact CB-CE2 3.98Å; L508-Y530 HydrophobicContact CB-CG 4.02Å; L508-Y530 HydrophobicContact CD1-CD2 3.65Å; L508-Y530 HydrophobicContact CD1-CE2 3.85Å; L508-Y530 HydrophobicContact CD1-CG 4.1Å; L508-Y530 HydrophobicContact CD2-CD1 4.35Å; L508-Y530 HydrophobicContact CD2-CD2 4.46Å; L508-Y530 HydrophobicContact CD2-CG 4.07Å; L508-Y530 HydrophobicContact CG-CD1 4.48Å; L508-Y530 HydrophobicContact CG-CD2 4.3Å; L508-Y530 HydrophobicContact CG-CG 4.29Å |
| 509 | S | 84.2 | Confident | 84.1 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 33% | 0.329 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 173.8 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | E505 M506 Y511 T512 R513 | E505-S509 WeakPolarHBondContact O-CB 3.33Å; E505-S509 PolarHBondContact O-N 2.84Å; E505-S509 PolarHBondContact O-OG 2.83Å; M506-S509 WeakPolarHBondContact CA-OG 3.36Å; M506-S509 PolarHBondContact O-N 3.03Å; M506-S509 PolarHBondContact O-OG 2.97Å; S509-Y511 VanDerWaalsContact C-N 3.33Å; S509-Y511 PolarHBondContact O-N 3.41Å; S509-T512 VanDerWaalsContact CA-OG1 3.31Å; S509-T512 WeakPolarHBondContact CA-OG1 3.49Å; S509-T512 PolarHBondContact O-N 3.42Å; S509-T512 PolarHBondContact O-OG1 3.24Å; S509-R513 WeakPolarHBondContact O-CB 3.38Å; S509-R513 PolarHBondContact O-N 3.46Å |
| 510 | L | 82.6 | Confident | 83.3 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 171.5 | -72.7 | 168.9 | 0 | 0 | 0 | 111.7 | M506 V507 L508 T512 R513 Y514 | M506-L510 WeakPolarHBondContact O-CG 3.28Å; M506-L510 PolarHBondContact O-N 2.76Å; V507-L510 WeakPolarHBondContact O-CB 3.37Å; V507-L510 PolarHBondContact O-N 3.06Å; L508-L510 VanDerWaalsContact C-N 3.32Å; L508-L510 PolarHBondContact O-N 3.14Å; L510-T512 PolarHBondContact O-N 3.05Å; L510-R513 WeakPolarHBondContact O-CB 3.5Å; L510-R513 PolarHBondContact O-N 2.85Å; L510-Y514 HydrophobicContact CD2-CE2 4.42Å; L510-Y514 WeakPolarHBondContact O-CD2 3.25Å; L510-Y514 PolarHBondContact O-N 2.64Å |
| 511 | Y | 87.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 174.8 | -62.4 | -17.1 | 0 | 0 | 0 | 112.4 | L468 N472 Y475 Y476 L479 W497 V507 L508 S509 R513 Y514 S515 L516 T517 | L468-Y511 HydrophobicContact CD1-CD1 3.93Å; L468-Y511 HydrophobicContact CD1-CE1 3.59Å; L468-Y511 HydrophobicContact CD2-CD1 3.85Å; L468-Y511 HydrophobicContact CD2-CE1 3.89Å; L468-Y511 HydrophobicContact CG-CE1 4.39Å; N472-Y511 HydrophobicContact CB-CE1 4.42Å; N472-Y511 PolarHBondContact O-OH 3.3Å; Y475-Y511 VanDerWaalsContact CB-OH 3.32Å; Y475-Y511 WeakPolarHBondContact CB-OH 3.48Å; Y476-Y511 WeakPolarHBondContact CA-OH 3.33Å; Y476-Y511 HydrophobicContact CD2-CD2 4.24Å; Y476-Y511 HydrophobicContact CD2-CE1 4.32Å; Y476-Y511 HydrophobicContact CD2-CE2 4.05Å; Y476-Y511 HydrophobicContact CD2-CG 4.48Å; Y476-Y511 PolarHBondContact N-OH 3.11Å; L479-Y511 HydrophobicContact CD1-CD2 4.35Å; L479-Y511 HydrophobicContact CD1-CE2 3.95Å; W497-Y511 AromaticContact CH2-CE2 3.84Å; W497-Y511 HydrophobicContact CH2-CE2 3.84Å; W497-Y511 AromaticContact CZ2-CE2 3.91Å; W497-Y511 HydrophobicContact CZ2-CE2 3.91Å; V507-Y511 HydrophobicContact CG1-CD2 4.43Å; V507-Y511 HydrophobicContact CG1-CE1 3.86Å; V507-Y511 HydrophobicContact CG1-CE2 3.72Å; V507-Y511 WeakPolarHBondContact CG1-OH 3.45Å; V507-Y511 PolarHBondContact O-N 3.23Å; L508-Y511 HydrophobicContact CD2-CD2 4.15Å; L508-Y511 WeakPolarHBondContact O-CB 3.16Å; L508-Y511 PolarHBondContact O-N 2.71Å; L508-Y511 VanDerWaalsContact O-N 3.15Å; S509-Y511 VanDerWaalsContact C-N 3.33Å; S509-Y511 PolarHBondContact O-N 3.41Å; Y511-R513 VanDerWaalsContact C-N 3.34Å; Y511-Y514 PolarHBondContact O-N 3.12Å; Y511-S515 PolarHBondContact O-N 3.49Å; Y511-L516 HydrophobicContact CD1-CD1 4.37Å; Y511-L516 PolarHBondContact O-N 2.81Å; Y511-T517 VanDerWaalsContact CB-OG1 3.29Å; Y511-T517 WeakPolarHBondContact CB-OG1 3.33Å; Y511-T517 HydrophobicContact CD2-CG2 4.22Å; Y511-T517 PolarHBondContact O-N 3.39Å |
| 512 | T | 81 | Confident | 81.4 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 17% | 0.172 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -38.2 | 175.5 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | L508 S509 L510 Y514 S515 T517 R519 Y530 | L508-T512 WeakPolarHBondContact O-CG2 3.44Å; L508-T512 PolarHBondContact O-N 3.19Å; S509-T512 VanDerWaalsContact CA-OG1 3.31Å; S509-T512 WeakPolarHBondContact CA-OG1 3.49Å; S509-T512 PolarHBondContact O-N 3.42Å; S509-T512 PolarHBondContact O-OG1 3.24Å; L510-T512 PolarHBondContact O-N 3.05Å; T512-Y514 PolarHBondContact O-N 2.69Å; T512-S515 PolarHBondContact O-N 3.48Å; T512-S515 VanDerWaalsContact O-N 3.11Å; T512-T517 WeakPolarHBondContact CA-O 3.38Å; T512-T517 WeakPolarHBondContact CG2-OG1 3.46Å; T512-T517 PolarHBondContact N-OG1 3.43Å; T512-R519 HydrophobicContact CG2-CB 3.93Å; T512-Y530 HydrophobicContact CG2-CD1 3.53Å; T512-Y530 HydrophobicContact CG2-CE1 3.5Å; T512-Y530 VanDerWaalsContact CG2-CE1 3.5Å |
| 513 | R | 75.2 | Confident | 80.2 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -48.7 | 175 | 175.6 | -174.8 | 176.3 | 136.3 | -13.4 | 110.9 | D341 L342 D343 S509 L510 Y511 S515 | D341-R513 WeakPolarHBondContact CA-O 3.49Å; D341-R513 WeakPolarHBondContact OD1-CG 3.41Å; D341-R513 IonicContact OD1-NE 3.93Å; D341-R513 IonicContact OD2-NE 3.38Å; D341-R513 PolarHBondContact OD2-NE 3.16Å; D341-R513 IonicContact OD2-NH2 2.78Å; L342-R513 PolarHBondContact N-O 3.21Å; D343-R513 HydrophobicContact CB-CG 4.43Å; D343-R513 VanDerWaalsContact OD2-CD 3.22Å; D343-R513 WeakPolarHBondContact OD2-CD 3.3Å; D343-R513 WeakPolarHBondContact OD2-CG 3.4Å; D343-R513 IonicContact OD2-CZ 3.98Å; D343-R513 IonicContact OD2-NE 3.91Å; D343-R513 PolarHBondContact OD2-NE 2.94Å; D343-R513 IonicContact OD2-NH1 2.67Å; D343-R513 PolarHBondContact OD2-NH1 3.48Å; S509-R513 WeakPolarHBondContact O-CB 3.38Å; S509-R513 PolarHBondContact O-N 3.46Å; L510-R513 WeakPolarHBondContact O-CB 3.5Å; L510-R513 PolarHBondContact O-N 2.85Å; Y511-R513 VanDerWaalsContact C-N 3.34Å; R513-S515 PolarHBondContact O-N 2.93Å |
| 514 | Y | 75.8 | Confident | 78.5 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 15.2 | 177.9 | -60.3 | -57.7 | 0 | 0 | 0 | 114.4 | L467 L468 L510 Y511 T512 L516 | L467-Y514 HydrophobicContact CB-CD1 4.35Å; L467-Y514 HydrophobicContact CB-CE1 4.21Å; L467-Y514 HydrophobicContact CD1-CD1 3.98Å; L467-Y514 HydrophobicContact CD1-CE1 4.15Å; L468-Y514 HydrophobicContact CD2-CD2 3.65Å; L468-Y514 HydrophobicContact CD2-CE2 3.98Å; L510-Y514 HydrophobicContact CD2-CE2 4.42Å; L510-Y514 WeakPolarHBondContact O-CD2 3.25Å; L510-Y514 PolarHBondContact O-N 2.64Å; Y511-Y514 PolarHBondContact O-N 3.12Å; T512-Y514 PolarHBondContact O-N 2.69Å; Y514-L516 PolarHBondContact O-N 2.74Å; Y514-L516 VanDerWaalsContact O-N 3.16Å |
| 515 | S | 75.5 | Confident | 76.9 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.4 | -179.5 | -63.1 | 0 | 0 | 0 | 0 | 115.1 | R340 Y511 T512 R513 | R340-S515 WeakPolarHBondContact O-CB 3.39Å; R340-S515 PolarHBondContact O-OG 2.8Å; Y511-S515 PolarHBondContact O-N 3.49Å; T512-S515 PolarHBondContact O-N 3.48Å; T512-S515 VanDerWaalsContact O-N 3.11Å; R513-S515 PolarHBondContact O-N 2.93Å |
| 516 | L | 81.4 | Confident | 75.8 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -90 | -21.4 | 171.7 | -67.2 | 172.8 | 0 | 0 | 0 | 112.5 | I465 L468 Y476 Y511 Y514 Q536 | I465-L516 HydrophobicContact CG1-CD1 4.5Å; I465-L516 HydrophobicContact CG1-CD2 3.97Å; L468-L516 HydrophobicContact CD1-CD1 3.52Å; L468-L516 HydrophobicContact CG-CD1 4.17Å; Y476-L516 HydrophobicContact CD2-CD1 4.43Å; Y476-L516 HydrophobicContact CE2-CB 3.89Å; Y476-L516 HydrophobicContact CE2-CD1 4.23Å; Y476-L516 HydrophobicContact CE2-CD2 4.42Å; Y476-L516 HydrophobicContact CE2-CG 4.42Å; Y511-L516 HydrophobicContact CD1-CD1 4.37Å; Y511-L516 PolarHBondContact O-N 2.81Å; Y514-L516 PolarHBondContact O-N 2.74Å; Y514-L516 VanDerWaalsContact O-N 3.16Å; L516-Q536 PolarHBondContact O-OE1 3.4Å |
| 517 | T | 81.3 | Confident | 75 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -136.5 | 157 | 173.1 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | Y511 T512 T531 I532 | Y511-T517 VanDerWaalsContact CB-OG1 3.29Å; Y511-T517 WeakPolarHBondContact CB-OG1 3.33Å; Y511-T517 HydrophobicContact CD2-CG2 4.22Å; Y511-T517 PolarHBondContact O-N 3.39Å; T512-T517 WeakPolarHBondContact CA-O 3.38Å; T512-T517 WeakPolarHBondContact CG2-OG1 3.46Å; T512-T517 PolarHBondContact N-OG1 3.43Å; T517-T531 CarbonylContact C-O 3.3Å; T517-T531 VanDerWaalsContact CA-O 3.24Å; T517-T531 WeakPolarHBondContact CA-O 3.38Å; T517-T531 WeakPolarHBondContact CB-O 3.43Å; T517-I532 HydrophobicContact CG2-CG1 3.88Å |
| 518 | V | 76 | Confident | 74.3 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.3 | 173.8 | -177 | 0 | 0 | 0 | 0 | 109 | H520 Y530 T531 | V518-H520 WeakPolarHBondContact CG1-CE1 3.22Å; V518-H520 PolarHBondContact O-ND1 3.45Å; V518-H520 VanDerWaalsContact O-ND1 3.09Å; V518-Y530 WeakPolarHBondContact O-CA 3.33Å; V518-T531 PolarHBondContact N-O 3.22Å; V518-T531 PolarHBondContact O-N 3.31Å |
| 519 | R | 75.6 | Confident | 73.9 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.7 | 176.3 | -160.2 | 177 | -178.4 | 174.3 | 5.7 | 109.9 | E505 T512 C528 Y530 | E505-R519 IonicContact OE1-NH2 3.58Å; E505-R519 PolarHBondContact OE1-NH2 3.2Å; T512-R519 HydrophobicContact CG2-CB 3.93Å; R519-C528 HydrophobicContact CG-CB 4.17Å; R519-C528 PolarHBondContact NE-SG 3.27Å; R519-C528 PolarHBondContact NH2-SG 3.04Å; R519-Y530 HydrophobicContact CB-CD1 4.49Å; R519-Y530 HydrophobicContact CB-CE1 4.29Å; R519-Y530 HydrophobicContact CG-CD1 4.42Å; R519-Y530 HydrophobicContact CG-CE1 3.91Å |
| 520 | H | 75.2 | Confident | 74 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 38% | 0.384 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.3 | 176 | -63.4 | 85.9 | 0 | 0 | 0 | 109.2 | V518 C528 G529 T531 | V518-H520 WeakPolarHBondContact CG1-CE1 3.22Å; V518-H520 PolarHBondContact O-ND1 3.45Å; V518-H520 VanDerWaalsContact O-ND1 3.09Å; H520-C528 CarbonylContact O-C 3.55Å; H520-C528 WeakPolarHBondContact O-CA 3.46Å; H520-G529 PolarHBondContact N-O 2.67Å; H520-G529 PolarHBondContact O-N 2.78Å; H520-G529 VanDerWaalsContact O-O 3.13Å; H520-T531 PolarHBondContact CE1-OG1 3.33Å |
| 521 | W | 68.2 | Low | 74 | Confident | 138 Ų | 138 | 48 Ų | 48 | 52% | 0.523 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120.5 | 172.8 | -165.4 | -97.8 | 0 | 0 | 0 | 109.9 | Y523 G526 C528 | W521-Y523 AromaticContact CD1-CD1 3.63Å; W521-Y523 AromaticContact CD1-CE1 3.69Å; W521-Y523 PolarHBondContact O-N 3.32Å; W521-G526 WeakPolarHBondContact CZ2-O 3.45Å; W521-C528 WeakPolarHBondContact CZ3-SG 3.36Å |
| 522 | I | 68.4 | Low | 73.8 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 93.8 | 176.7 | -52.5 | 166.4 | 0 | 0 | 0 | 108.4 | V487 T489 K524 V525 G526 N527 | V487-I522 HydrophobicContact CG1-CD1 3.7Å; V487-I522 HydrophobicContact CG1-CG1 4.03Å; T489-I522 HydrophobicContact CG2-CD1 3.98Å; I522-K524 HydrophobicContact CG2-CB 4.49Å; I522-K524 PolarHBondContact O-N 3.01Å; I522-V525 HydrophobicContact CB-CB 4.5Å; I522-V525 HydrophobicContact CG2-CB 4.31Å; I522-V525 HydrophobicContact CG2-CG2 3.9Å; I522-V525 PolarHBondContact O-N 2.98Å; I522-V525 VanDerWaalsContact O-N 3.1Å; I522-G526 PolarHBondContact O-N 2.86Å; I522-N527 PolarHBondContact N-O 3.38Å |
| 523 | Y | 62.3 | Low | 73.5 | Confident | 152 Ų | 152 | 47.8 Ų | 47.8 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -30.3 | -178.1 | -66.7 | -78.2 | 0 | 0 | 0 | 114.5 | W521 | W521-Y523 AromaticContact CD1-CD1 3.63Å; W521-Y523 AromaticContact CD1-CE1 3.69Å; W521-Y523 PolarHBondContact O-N 3.32Å |
| 524 | K | 52.2 | Low | 73.7 | Confident | 147 Ų | 147 | 45.2 Ų | 45.2 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -32.7 | -179.2 | -68.6 | -171.5 | 178.3 | -176.7 | 0 | 114.3 | I522 | I522-K524 HydrophobicContact CG2-CB 4.49Å; I522-K524 PolarHBondContact O-N 3.01Å |
| 525 | V | 58.3 | Low | 73.6 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -22.9 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | I522 N527 W575 E576 | I522-V525 HydrophobicContact CB-CB 4.5Å; I522-V525 HydrophobicContact CG2-CB 4.31Å; I522-V525 HydrophobicContact CG2-CG2 3.9Å; I522-V525 PolarHBondContact O-N 2.98Å; I522-V525 VanDerWaalsContact O-N 3.1Å; V525-N527 HydrophobicContact CG1-CB 3.99Å; V525-N527 PolarHBondContact O-N 3.41Å; V525-W575 HydrophobicContact CG2-CB 4.38Å; V525-E576 HydrophobicContact CG1-CG 3.45Å; V525-E576 VanDerWaalsContact CG1-CG 3.45Å |
| 526 | G | 65.2 | Low | 73.8 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 13.3 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | W521 I522 | W521-G526 WeakPolarHBondContact CZ2-O 3.45Å; I522-G526 PolarHBondContact O-N 2.86Å |
| 527 | N | 71.1 | Confident | 73.8 | Confident | 57 Ų | 57 | 42.9 Ų | 42.9 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 166.3 | -178.4 | -93.2 | -15.9 | 0 | 0 | 0 | 111.3 | I522 V525 E576 | I522-N527 PolarHBondContact N-O 3.38Å; V525-N527 HydrophobicContact CG1-CB 3.99Å; V525-N527 PolarHBondContact O-N 3.41Å; N527-E576 PolarHBondContact ND2-OE1 2.8Å |
| 528 | C | 74.5 | Confident | 73.5 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 140.9 | 176.2 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | P490 R519 H520 W521 Y530 | P490-C528 WeakPolarHBondContact CD-O 3.41Å; R519-C528 HydrophobicContact CG-CB 4.17Å; R519-C528 PolarHBondContact NE-SG 3.27Å; R519-C528 PolarHBondContact NH2-SG 3.04Å; H520-C528 CarbonylContact O-C 3.55Å; H520-C528 WeakPolarHBondContact O-CA 3.46Å; W521-C528 WeakPolarHBondContact CZ3-SG 3.36Å; C528-Y530 HydrophobicContact CB-CE2 3.99Å |
| 529 | G | 81.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 157.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | L488 H520 | L488-G529 CarbonylContact O-C 3.32Å; L488-G529 VanDerWaalsContact O-CA 3.32Å; L488-G529 WeakPolarHBondContact O-CA 3.35Å; H520-G529 PolarHBondContact N-O 2.67Å; H520-G529 PolarHBondContact O-N 2.78Å; H520-G529 VanDerWaalsContact O-O 3.13Å |
| 530 | Y | 85.6 | Confident | 73.7 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.3 | -175.5 | -62.4 | -100.6 | 0 | 0 | 0 | 109.7 | L488 P490 L508 T512 V518 R519 C528 | L488-Y530 PolarHBondContact N-O 3.05Å; L488-Y530 PolarHBondContact O-N 3.18Å; P490-Y530 HydrophobicContact CG-CE2 3.92Å; L508-Y530 HydrophobicContact CB-CD1 3.75Å; L508-Y530 HydrophobicContact CB-CD2 4.12Å; L508-Y530 HydrophobicContact CB-CE1 3.56Å; L508-Y530 HydrophobicContact CB-CE2 3.98Å; L508-Y530 HydrophobicContact CB-CG 4.02Å; L508-Y530 HydrophobicContact CD1-CD2 3.65Å; L508-Y530 HydrophobicContact CD1-CE2 3.85Å; L508-Y530 HydrophobicContact CD1-CG 4.1Å; L508-Y530 HydrophobicContact CD2-CD1 4.35Å; L508-Y530 HydrophobicContact CD2-CD2 4.46Å; L508-Y530 HydrophobicContact CD2-CG 4.07Å; L508-Y530 HydrophobicContact CG-CD1 4.48Å; L508-Y530 HydrophobicContact CG-CD2 4.3Å; L508-Y530 HydrophobicContact CG-CG 4.29Å; T512-Y530 HydrophobicContact CG2-CD1 3.53Å; T512-Y530 HydrophobicContact CG2-CE1 3.5Å; T512-Y530 VanDerWaalsContact CG2-CE1 3.5Å; V518-Y530 WeakPolarHBondContact O-CA 3.33Å; R519-Y530 HydrophobicContact CB-CD1 4.49Å; R519-Y530 HydrophobicContact CB-CE1 4.29Å; R519-Y530 HydrophobicContact CG-CD1 4.42Å; R519-Y530 HydrophobicContact CG-CE1 3.91Å; C528-Y530 HydrophobicContact CB-CE2 3.99Å |
| 531 | T | 82 | Confident | 74 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 14% | 0.141 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.4 | 173.9 | 63 | 0 | 0 | 0 | 0 | 110.3 | V487 T517 V518 H520 | V487-T531 HydrophobicContact CB-CG2 4.21Å; V487-T531 HydrophobicContact CG1-CG2 4.41Å; V487-T531 HydrophobicContact CG2-CG2 3.72Å; T517-T531 CarbonylContact C-O 3.3Å; T517-T531 VanDerWaalsContact CA-O 3.24Å; T517-T531 WeakPolarHBondContact CA-O 3.38Å; T517-T531 WeakPolarHBondContact CB-O 3.43Å; V518-T531 PolarHBondContact N-O 3.22Å; V518-T531 PolarHBondContact O-N 3.31Å; H520-T531 PolarHBondContact CE1-OG1 3.33Å |
| 532 | I | 82.6 | Confident | 74.4 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | trans | -108.3 | 139.8 | 174.6 | -53.9 | 158.9 | 0 | 0 | 0 | 107.2 | L479 L488 T517 Q536 L537 | L479-I532 HydrophobicContact CB-CD1 3.53Å; L479-I532 HydrophobicContact CD1-CD1 3.64Å; L479-I532 HydrophobicContact CD1-CG1 4.41Å; L479-I532 HydrophobicContact CD2-CD1 4.26Å; L479-I532 HydrophobicContact CG-CD1 3.99Å; L488-I532 HydrophobicContact CD1-CD1 4.4Å; T517-I532 HydrophobicContact CG2-CG1 3.88Å; I532-Q536 HydrophobicContact CG2-CB 4.07Å; I532-L537 HydrophobicContact CB-CD1 4.22Å; I532-L537 HydrophobicContact CB-CG 4.24Å; I532-L537 HydrophobicContact CD1-CD2 4.28Å; I532-L537 HydrophobicContact CG2-CD1 4.41Å; I532-L537 HydrophobicContact CG2-CG 3.93Å | ||
| 533 | H | 76.5 | Confident | 74.9 | Confident | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.06 | 19% | 0.187 | C | C | . | . | trans | -69 | 139.3 | 179.2 | -173.5 | -87.9 | 0 | 0 | 0 | 110.9 | D360 I535 Q536 L537 | D360-H533 IonicContact OD1-CD2 2.61Å; D360-H533 PolarHBondContact OD1-CD2 2.95Å; D360-H533 VanDerWaalsContact OD1-CD2 3.27Å; D360-H533 IonicContact OD1-NE2 3.14Å; D360-H533 PolarHBondContact OD1-NE2 3.04Å; H533-I535 PolarHBondContact ND1-N 2.9Å; H533-I535 PolarHBondContact O-N 2.97Å; H533-Q536 HydrophobicContact CB-CG 4.34Å; H533-Q536 WeakPolarHBondContact O-CB 3.26Å; H533-Q536 PolarHBondContact O-N 2.9Å; H533-L537 PolarHBondContact O-N 3.31Å | ||
| 534 | G | 77.7 | Confident | 75.9 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y406 Q536 L537 D538 | Y406-G534 VanDerWaalsContact CE2-C 3.43Å; G534-Q536 PolarHBondContact O-N 3.45Å; G534-L537 WeakPolarHBondContact O-CB 3.38Å; G534-L537 PolarHBondContact O-N 3.17Å; G534-D538 PolarHBondContact O-N 3.07Å |
| 535 | I | 74.7 | Confident | 77.4 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -36.1 | 174.4 | -61 | 178.3 | 0 | 0 | 0 | 112 | T405 Y406 L408 A411 V457 F461 H533 D538 L539 | T405-I535 WeakPolarHBondContact O-CD1 3.49Å; Y406-I535 HydrophobicContact CD2-CB 4.49Å; Y406-I535 HydrophobicContact CD2-CG1 3.65Å; Y406-I535 VanDerWaalsContact CD2-N 3.33Å; Y406-I535 HydrophobicContact CE2-CG1 4.48Å; Y406-I535 HydrophobicContact CG-CG1 4.45Å; L408-I535 HydrophobicContact CB-CD1 3.52Å; L408-I535 HydrophobicContact CD2-CD1 3.73Å; L408-I535 HydrophobicContact CG-CD1 4.22Å; A411-I535 HydrophobicContact CB-CD1 3.72Å; V457-I535 HydrophobicContact CG1-CG2 4.08Å; F461-I535 HydrophobicContact CE2-CB 4.42Å; F461-I535 HydrophobicContact CE2-CG2 3.79Å; H533-I535 PolarHBondContact ND1-N 2.9Å; H533-I535 PolarHBondContact O-N 2.97Å; I535-D538 PolarHBondContact O-N 3.03Å; I535-L539 WeakPolarHBondContact O-CB 3.21Å; I535-L539 PolarHBondContact O-N 3.09Å |
| 536 | Q | 79.3 | Confident | 78.6 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.4 | -36.7 | 179.1 | -67.9 | 174.3 | -21.1 | 0 | 0 | 111.4 | F461 Y476 L516 I532 H533 G534 L539 L540 | F461-Q536 HydrophobicContact CD1-CG 3.83Å; F461-Q536 VanDerWaalsContact CD1-NE2 3.31Å; F461-Q536 HydrophobicContact CD2-CG 4.33Å; F461-Q536 HydrophobicContact CE1-CG 3.68Å; F461-Q536 HydrophobicContact CE2-CG 4.16Å; F461-Q536 HydrophobicContact CG-CG 4.18Å; F461-Q536 HydrophobicContact CZ-CG 3.85Å; Y476-Q536 PolarHBondContact OH-OE1 2.79Å; L516-Q536 PolarHBondContact O-OE1 3.4Å; I532-Q536 HydrophobicContact CG2-CB 4.07Å; H533-Q536 HydrophobicContact CB-CG 4.34Å; H533-Q536 WeakPolarHBondContact O-CB 3.26Å; H533-Q536 PolarHBondContact O-N 2.9Å; G534-Q536 PolarHBondContact O-N 3.45Å; Q536-L539 WeakPolarHBondContact O-CB 3.47Å; Q536-L539 PolarHBondContact O-N 3.32Å; Q536-L540 VanDerWaalsContact O-CG 3.32Å; Q536-L540 WeakPolarHBondContact O-CG 3.24Å; Q536-L540 PolarHBondContact O-N 2.74Å |
| 537 | L | 82.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 172.6 | -79.7 | 164.6 | 0 | 0 | 0 | 111.1 | L479 P484 I532 H533 G534 L539 L540 K541 | L479-L537 WeakPolarHBondContact O-CD2 2.92Å; P484-L537 HydrophobicContact CB-CD1 4.4Å; I532-L537 HydrophobicContact CB-CD1 4.22Å; I532-L537 HydrophobicContact CB-CG 4.24Å; I532-L537 HydrophobicContact CD1-CD2 4.28Å; I532-L537 HydrophobicContact CG2-CD1 4.41Å; I532-L537 HydrophobicContact CG2-CG 3.93Å; H533-L537 PolarHBondContact O-N 3.31Å; G534-L537 WeakPolarHBondContact O-CB 3.38Å; G534-L537 PolarHBondContact O-N 3.17Å; L537-L539 VanDerWaalsContact C-N 3.32Å; L537-L539 PolarHBondContact O-N 2.72Å; L537-L540 PolarHBondContact O-N 3.07Å; L537-K541 WeakPolarHBondContact O-CB 3.38Å; L537-K541 VanDerWaalsContact O-CG 3.29Å; L537-K541 WeakPolarHBondContact O-CG 3.45Å; L537-K541 PolarHBondContact O-N 3.14Å |
| 538 | D | 74.3 | Confident | 80.3 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 9% | 0.086 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 177.3 | -71.2 | 1 | 0 | 0 | 0 | 111.8 | Y406 F440 G534 I535 K541 S542 | Y406-D538 WeakPolarHBondContact CE2-OD2 3.48Å; Y406-D538 PolarHBondContact OH-OD1 3.25Å; Y406-D538 PolarHBondContact OH-OD2 3.42Å; Y406-D538 VanDerWaalsContact OH-OD2 3.09Å; F440-D538 HydrophobicContact CD1-CB 4.32Å; F440-D538 WeakPolarHBondContact CD1-OD2 3.4Å; F440-D538 HydrophobicContact CE1-CB 4.37Å; F440-D538 VanDerWaalsContact CE1-CG 3.42Å; F440-D538 VanDerWaalsContact CE1-OD1 3.32Å; F440-D538 WeakPolarHBondContact CE1-OD1 3.48Å; F440-D538 WeakPolarHBondContact CE1-OD2 3.44Å; G534-D538 PolarHBondContact O-N 3.07Å; I535-D538 PolarHBondContact O-N 3.03Å; D538-K541 PolarHBondContact O-N 3.2Å; D538-S542 PolarHBondContact O-N 3.1Å |
| 539 | L | 74.9 | Confident | 81 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -49.5 | 171.4 | 177.9 | 154.2 | 0 | 0 | 0 | 111 | F458 F461 I535 Q536 L537 K541 S542 Y543 | F458-L539 HydrophobicContact CB-CD1 4.34Å; F458-L539 HydrophobicContact CD1-CB 4.12Å; F458-L539 HydrophobicContact CD1-CD1 3.06Å; F458-L539 HydrophobicContact CD1-CD2 4.38Å; F458-L539 HydrophobicContact CD1-CG 3.26Å; F458-L539 HydrophobicContact CE1-CB 3.63Å; F458-L539 HydrophobicContact CE1-CD1 3.49Å; F458-L539 VanDerWaalsContact CE1-CD1 3.49Å; F458-L539 HydrophobicContact CE1-CG 3.25Å; F458-L539 HydrophobicContact CG-CD1 3.95Å; F458-L539 HydrophobicContact CZ-CG 4.49Å; F461-L539 HydrophobicContact CB-CD1 4Å; F461-L539 HydrophobicContact CD2-CD1 3.75Å; F461-L539 HydrophobicContact CG-CD1 4.29Å; I535-L539 WeakPolarHBondContact O-CB 3.21Å; I535-L539 PolarHBondContact O-N 3.09Å; Q536-L539 WeakPolarHBondContact O-CB 3.47Å; Q536-L539 PolarHBondContact O-N 3.32Å; L537-L539 VanDerWaalsContact C-N 3.32Å; L537-L539 PolarHBondContact O-N 2.72Å; L539-K541 VanDerWaalsContact C-N 3.32Å; L539-K541 PolarHBondContact O-N 2.81Å; L539-S542 PolarHBondContact O-N 2.96Å; L539-S542 VanDerWaalsContact O-N 3.16Å; L539-S542 PolarHBondContact O-OG 3.42Å; L539-Y543 HydrophobicContact CD2-CD2 3.85Å; L539-Y543 HydrophobicContact CD2-CE2 3.95Å; L539-Y543 HydrophobicContact CG-CD2 4.15Å; L539-Y543 HydrophobicContact CG-CE2 4.04Å; L539-Y543 VanDerWaalsContact O-CD2 3.27Å; L539-Y543 WeakPolarHBondContact O-CD2 3.25Å; L539-Y543 PolarHBondContact O-N 3.16Å; L539-Y543 VanDerWaalsContact O-N 3.13Å |
| 540 | L | 81 | Confident | 81.3 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 175.1 | -71.9 | 173.6 | 0 | 0 | 0 | 111.9 | Y476 R477 V480 Q536 L537 S542 Y543 I544 | Y476-L540 HydrophobicContact CD1-CD1 4.22Å; Y476-L540 HydrophobicContact CD1-CD2 4.15Å; Y476-L540 HydrophobicContact CE1-CD1 3.86Å; Y476-L540 HydrophobicContact CE1-CD2 4.06Å; Y476-L540 HydrophobicContact CE1-CG 4.24Å; R477-L540 HydrophobicContact CG-CD2 4.42Å; V480-L540 HydrophobicContact CB-CB 4.06Å; V480-L540 HydrophobicContact CG2-CB 3.76Å; Q536-L540 VanDerWaalsContact O-CG 3.32Å; Q536-L540 WeakPolarHBondContact O-CG 3.24Å; Q536-L540 PolarHBondContact O-N 2.74Å; L537-L540 PolarHBondContact O-N 3.07Å; L540-S542 VanDerWaalsContact C-N 3.26Å; L540-S542 PolarHBondContact O-N 3.31Å; L540-Y543 PolarHBondContact O-N 3.3Å; L540-I544 HydrophobicContact CB-CD1 4.36Å; L540-I544 HydrophobicContact CD2-CD1 4.36Å; L540-I544 WeakPolarHBondContact O-CB 3.4Å; L540-I544 WeakPolarHBondContact O-CG1 3.17Å; L540-I544 PolarHBondContact O-N 3.05Å |
| 541 | K | 82.1 | Confident | 81.6 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 19% | 0.191 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -30.4 | 176.9 | -73.6 | 173.4 | -178.7 | 177.6 | 0 | 112.1 | V480 E483 L537 D538 L539 Q549 | V480-K541 HydrophobicContact CG2-CB 4.26Å; V480-K541 HydrophobicContact CG2-CG 3.61Å; E483-K541 IonicContact OE1-NZ 2.72Å; E483-K541 IonicContact OE2-NZ 3.23Å; E483-K541 PolarHBondContact OE2-NZ 2.88Å; L537-K541 WeakPolarHBondContact O-CB 3.38Å; L537-K541 VanDerWaalsContact O-CG 3.29Å; L537-K541 WeakPolarHBondContact O-CG 3.45Å; L537-K541 PolarHBondContact O-N 3.14Å; D538-K541 PolarHBondContact O-N 3.2Å; L539-K541 VanDerWaalsContact C-N 3.32Å; L539-K541 PolarHBondContact O-N 2.81Å; K541-Q549 PolarHBondContact O-NE2 3.39Å; K541-Q549 VanDerWaalsContact O-NE2 3.1Å |
| 542 | S | 74.9 | Confident | 82.1 | Confident | 76 Ų | 76 | 42.9 Ų | 42.9 | 53% | 0.531 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -77.2 | -29.8 | 174.6 | 72 | 0 | 0 | 0 | 0 | 114.2 | D538 L539 L540 | D538-S542 PolarHBondContact O-N 3.1Å; L539-S542 PolarHBondContact O-N 2.96Å; L539-S542 VanDerWaalsContact O-N 3.16Å; L539-S542 PolarHBondContact O-OG 3.42Å; L540-S542 VanDerWaalsContact C-N 3.26Å; L540-S542 PolarHBondContact O-N 3.31Å |
| 543 | Y | 79 | Confident | 82.6 | Confident | 137 Ų | 137 | 42.8 Ų | 42.8 | 54% | 0.537 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -87.9 | -27.5 | -178.6 | -85 | -68.7 | 0 | 0 | 0 | 113.7 | F458 L539 L540 | F458-Y543 AromaticContact CD1-CE2 3.82Å; F458-Y543 HydrophobicContact CD1-CE2 3.82Å; F458-Y543 HydrophobicContact CE1-CE2 4.07Å; L539-Y543 HydrophobicContact CD2-CD2 3.85Å; L539-Y543 HydrophobicContact CD2-CE2 3.95Å; L539-Y543 HydrophobicContact CG-CD2 4.15Å; L539-Y543 HydrophobicContact CG-CE2 4.04Å; L539-Y543 VanDerWaalsContact O-CD2 3.27Å; L539-Y543 WeakPolarHBondContact O-CD2 3.25Å; L539-Y543 PolarHBondContact O-N 3.16Å; L539-Y543 VanDerWaalsContact O-N 3.13Å; L540-Y543 PolarHBondContact O-N 3.3Å |
| 544 | I | 83.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -102.1 | 122.9 | -173.7 | -60.6 | 170.2 | 0 | 0 | 0 | 108.4 | R477 V480 L540 E548 Q549 Y552 | R477-I544 HydrophobicContact CB-CD1 3.86Å; R477-I544 HydrophobicContact CG-CD1 4.22Å; R477-I544 WeakPolarHBondContact O-CD1 3.1Å; V480-I544 HydrophobicContact CB-CD1 3.86Å; V480-I544 HydrophobicContact CG1-CD1 3.85Å; V480-I544 HydrophobicContact CG2-CD1 4.1Å; L540-I544 HydrophobicContact CB-CD1 4.36Å; L540-I544 HydrophobicContact CD2-CD1 4.36Å; L540-I544 WeakPolarHBondContact O-CB 3.4Å; L540-I544 WeakPolarHBondContact O-CG1 3.17Å; L540-I544 PolarHBondContact O-N 3.05Å; I544-E548 HydrophobicContact CG2-CB 3.85Å; I544-E548 HydrophobicContact CG2-CG 4.16Å; I544-Q549 HydrophobicContact CB-CG 4.24Å; I544-Q549 HydrophobicContact CG2-CG 3.73Å; I544-Q549 PolarHBondContact O-NE2 3.43Å; I544-Y552 HydrophobicContact CG2-CE2 4.18Å |
| 545 | D | 83.1 | Confident | 83.8 | Confident | 117 Ų | 117 | 47.8 Ų | 47.8 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | trans | -57.7 | 140.4 | -180 | -75.6 | -29.1 | 0 | 0 | 0 | 111.3 | V547 E548 Q549 | D545-V547 PolarHBondContact O-N 2.81Å; D545-E548 WeakPolarHBondContact O-CA 3.3Å; D545-E548 WeakPolarHBondContact O-CB 3.29Å; D545-E548 PolarHBondContact O-N 2.92Å; D545-Q549 PolarHBondContact O-N 2.99Å | ||
| 546 | P | 83.7 | Confident | 84.7 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 53% | 0.526 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.1 | -30.2 | 179.4 | -28.2 | 34.7 | 0 | 0 | 0 | 114.1 | Q549 A550 | P546-Q549 PolarHBondContact O-N 2.8Å; P546-A550 WeakPolarHBondContact O-CB 3.42Å; P546-A550 PolarHBondContact O-N 3.09Å |
| 547 | V | 85.6 | Confident | 85.3 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 65% | 0.648 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.4 | -40.7 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | D545 A550 N551 | D545-V547 PolarHBondContact O-N 2.81Å; V547-A550 PolarHBondContact O-N 2.98Å; V547-N551 PolarHBondContact O-N 2.94Å; V547-N551 PolarHBondContact O-ND2 3.15Å |
| 548 | E | 87.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 176.3 | -162.9 | -174 | 168.1 | 0 | 0 | 111 | I544 D545 A550 N551 Y552 | I544-E548 HydrophobicContact CG2-CB 3.85Å; I544-E548 HydrophobicContact CG2-CG 4.16Å; D545-E548 WeakPolarHBondContact O-CA 3.3Å; D545-E548 WeakPolarHBondContact O-CB 3.29Å; D545-E548 PolarHBondContact O-N 2.92Å; E548-A550 PolarHBondContact O-N 3.27Å; E548-N551 WeakPolarHBondContact O-CB 3.47Å; E548-N551 PolarHBondContact O-N 3.5Å; E548-Y552 HydrophobicContact CG-CD2 4.47Å; E548-Y552 HydrophobicContact CG-CE2 3.79Å; E548-Y552 WeakPolarHBondContact O-CD2 3.44Å; E548-Y552 PolarHBondContact O-N 3.08Å; E548-Y552 PolarHBondContact OE1-OH 3.44Å |
| 549 | Q | 89.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 171.6 | -58.8 | -178.8 | 27.2 | 0 | 0 | 111.1 | V480 K541 I544 D545 P546 N551 Y552 H553 | V480-Q549 HydrophobicContact CG1-CG 4.04Å; V480-Q549 HydrophobicContact CG2-CG 4.28Å; K541-Q549 PolarHBondContact O-NE2 3.39Å; K541-Q549 VanDerWaalsContact O-NE2 3.1Å; I544-Q549 HydrophobicContact CB-CG 4.24Å; I544-Q549 HydrophobicContact CG2-CG 3.73Å; I544-Q549 PolarHBondContact O-NE2 3.43Å; D545-Q549 PolarHBondContact O-N 2.99Å; P546-Q549 PolarHBondContact O-N 2.8Å; Q549-N551 VanDerWaalsContact C-N 3.29Å; Q549-N551 PolarHBondContact O-N 3.47Å; Q549-Y552 WeakPolarHBondContact O-CB 3.49Å; Q549-Y552 PolarHBondContact O-N 3.28Å; Q549-H553 PolarHBondContact O-CD2 2.93Å; Q549-H553 PolarHBondContact O-N 3.02Å |
| 550 | A | 87.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P546 V547 E548 Y552 H553 A554 | P546-A550 WeakPolarHBondContact O-CB 3.42Å; P546-A550 PolarHBondContact O-N 3.09Å; V547-A550 PolarHBondContact O-N 2.98Å; E548-A550 PolarHBondContact O-N 3.27Å; A550-Y552 PolarHBondContact O-N 3.33Å; A550-H553 PolarHBondContact O-N 3.17Å; A550-A554 PolarHBondContact O-N 3.4Å |
| 551 | N | 90.6 | Very high | 87.3 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 173.7 | -71.5 | -28.3 | 0 | 0 | 0 | 112.4 | V547 E548 Q549 A554 K555 | V547-N551 PolarHBondContact O-N 2.94Å; V547-N551 PolarHBondContact O-ND2 3.15Å; E548-N551 WeakPolarHBondContact O-CB 3.47Å; E548-N551 PolarHBondContact O-N 3.5Å; Q549-N551 VanDerWaalsContact C-N 3.29Å; Q549-N551 PolarHBondContact O-N 3.47Å; N551-A554 PolarHBondContact O-N 3.12Å; N551-K555 VanDerWaalsContact O-CB 3.32Å; N551-K555 WeakPolarHBondContact O-CB 3.26Å; N551-K555 PolarHBondContact O-N 3.35Å |
| 552 | Y | 92.2 | Very high | 87.5 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 15% | 0.145 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.2 | -67 | -42.4 | 0 | 0 | 0 | 112.3 | R478 V480 I481 I544 E548 Q549 A550 A554 K555 F556 | R478-Y552 HydrophobicContact CG-CD1 3.8Å; R478-Y552 HydrophobicContact CG-CE1 3.56Å; R478-Y552 HydrophobicContact CG-CG 4.39Å; V480-Y552 HydrophobicContact CG1-CD2 4.01Å; I481-Y552 HydrophobicContact CG2-CG 4.48Å; I544-Y552 HydrophobicContact CG2-CE2 4.18Å; E548-Y552 HydrophobicContact CG-CD2 4.47Å; E548-Y552 HydrophobicContact CG-CE2 3.79Å; E548-Y552 WeakPolarHBondContact O-CD2 3.44Å; E548-Y552 PolarHBondContact O-N 3.08Å; E548-Y552 PolarHBondContact OE1-OH 3.44Å; Q549-Y552 WeakPolarHBondContact O-CB 3.49Å; Q549-Y552 PolarHBondContact O-N 3.28Å; A550-Y552 PolarHBondContact O-N 3.33Å; Y552-A554 PolarHBondContact O-N 3.47Å; Y552-K555 PolarHBondContact O-N 3.21Å; Y552-F556 WeakPolarHBondContact O-CB 3.21Å; Y552-F556 PolarHBondContact O-N 3.27Å |
| 553 | H | 93.5 | Very high | 87.9 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.4 | -81 | -85.7 | 0 | 0 | 0 | 111.7 | I481 Q549 A550 K555 F556 I557 H587 A591 | I481-H553 PolarHBondContact O-CE1 3.26Å; Q549-H553 PolarHBondContact O-CD2 2.93Å; Q549-H553 PolarHBondContact O-N 3.02Å; A550-H553 PolarHBondContact O-N 3.17Å; H553-K555 PolarHBondContact O-N 3.03Å; H553-F556 PolarHBondContact O-N 3.26Å; H553-I557 PolarHBondContact O-N 2.99Å; H553-H587 WeakPolarHBondContact CB-O 3.25Å; H553-H587 AromaticContact CE1-CE1 3.95Å; H553-H587 AromaticContact CE1-ND1 3.33Å; H553-H587 PolarHBondContact CE1-ND1 2.94Å; H553-H587 VanDerWaalsContact CE1-ND1 3.33Å; H553-H587 AromaticContact CG-ND1 3.82Å; H553-H587 WeakPolarHBondContact ND1-CA 3.49Å; H553-H587 AromaticContact ND1-CE1 3.78Å; H553-H587 AromaticContact ND1-CG 3.44Å; H553-H587 AromaticContact ND1-ND1 2.77Å; H553-H587 PolarHBondContact ND1-ND1 2.9Å; H553-A591 HydrophobicContact CB-CB 3.81Å |
| 554 | A | 89.5 | Confident | 88 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A550 N551 Y552 I557 Q558 A591 | A550-A554 PolarHBondContact O-N 3.4Å; N551-A554 PolarHBondContact O-N 3.12Å; Y552-A554 PolarHBondContact O-N 3.47Å; A554-I557 PolarHBondContact O-N 2.87Å; A554-Q558 PolarHBondContact O-N 3.12Å; A554-A591 HydrophobicContact CB-CB 4.04Å |
| 555 | K | 90.7 | Very high | 87.7 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 45% | 0.452 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.5 | -37.1 | -179.6 | -168.1 | 168.8 | -174.4 | 170.4 | 0 | 112.3 | N551 Y552 H553 I557 Q558 N559 | N551-K555 VanDerWaalsContact O-CB 3.32Å; N551-K555 WeakPolarHBondContact O-CB 3.26Å; N551-K555 PolarHBondContact O-N 3.35Å; Y552-K555 PolarHBondContact O-N 3.21Å; H553-K555 PolarHBondContact O-N 3.03Å; K555-I557 PolarHBondContact O-N 3.16Å; K555-Q558 PolarHBondContact O-N 3.41Å; K555-N559 PolarHBondContact O-N 2.81Å; K555-N559 PolarHBondContact O-OD1 2.78Å |
| 556 | F | 93.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 176.7 | 179.6 | -121.5 | 0 | 0 | 0 | 112.2 | I481 F482 V492 L496 Y552 H553 N559 Y560 Y579 H587 | I481-F556 HydrophobicContact CD1-CB 3.82Å; I481-F556 HydrophobicContact CD1-CD1 4.17Å; I481-F556 HydrophobicContact CD1-CD2 4.4Å; I481-F556 HydrophobicContact CD1-CG 3.91Å; F482-F556 HydrophobicContact CE1-CE1 4.44Å; F482-F556 HydrophobicContact CE1-CZ 4.14Å; F482-F556 HydrophobicContact CZ-CE2 4.33Å; F482-F556 HydrophobicContact CZ-CZ 4.25Å; V492-F556 HydrophobicContact CG1-CE2 4.21Å; V492-F556 HydrophobicContact CG1-CZ 4Å; L496-F556 HydrophobicContact CB-CD2 3.84Å; L496-F556 HydrophobicContact CB-CE2 3.93Å; L496-F556 HydrophobicContact CD1-CB 4.03Å; L496-F556 HydrophobicContact CD1-CD2 3.56Å; L496-F556 HydrophobicContact CD1-CE2 4.29Å; L496-F556 HydrophobicContact CD1-CG 4.1Å; L496-F556 HydrophobicContact CG-CD2 4.32Å; Y552-F556 WeakPolarHBondContact O-CB 3.21Å; Y552-F556 PolarHBondContact O-N 3.27Å; H553-F556 PolarHBondContact O-N 3.26Å; F556-N559 PolarHBondContact O-N 2.87Å; F556-Y560 HydrophobicContact CD2-CD2 4.3Å; F556-Y560 HydrophobicContact CD2-CE2 4.26Å; F556-Y560 HydrophobicContact CE1-CD2 4.26Å; F556-Y560 HydrophobicContact CE1-CE2 4.03Å; F556-Y560 AromaticContact CE2-CD2 4Å; F556-Y560 HydrophobicContact CE2-CD2 4Å; F556-Y560 AromaticContact CE2-CE2 3.51Å; F556-Y560 HydrophobicContact CE2-CE2 3.51Å; F556-Y560 AromaticContact CZ-CD2 3.99Å; F556-Y560 HydrophobicContact CZ-CD2 3.99Å; F556-Y560 AromaticContact CZ-CE2 3.4Å; F556-Y560 HydrophobicContact CZ-CE2 3.4Å; F556-Y560 PolarHBondContact O-N 3.39Å; F556-Y560 VanDerWaalsContact O-N 3.08Å; F556-Y579 HydrophobicContact CE1-CD1 4.49Å; F556-Y579 AromaticContact CE1-CE1 3.97Å; F556-Y579 HydrophobicContact CE1-CE1 3.97Å; F556-Y579 HydrophobicContact CZ-CD1 4.27Å; F556-Y579 HydrophobicContact CZ-CE1 4.05Å; F556-H587 AromaticContact CD1-CD2 3.97Å; F556-H587 AromaticContact CD1-CE1 3.77Å; F556-H587 AromaticContact CD1-CG 4Å; F556-H587 AromaticContact CD1-ND1 3.81Å; F556-H587 AromaticContact CD1-NE2 3.81Å; F556-H587 AromaticContact CE1-CD2 3.87Å; F556-H587 AromaticContact CE1-CE1 3.84Å; F556-H587 AromaticContact CE1-NE2 3.5Å; F556-H587 WeakPolarHBondContact CE1-NE2 3.26Å |
| 557 | I | 90.4 | Very high | 86.9 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 178.4 | -62.9 | -174 | 0 | 0 | 0 | 111.4 | H553 A554 K555 N559 Y560 F561 A584 H587 L588 | H553-I557 PolarHBondContact O-N 2.99Å; A554-I557 PolarHBondContact O-N 2.87Å; K555-I557 PolarHBondContact O-N 3.16Å; I557-N559 VanDerWaalsContact C-N 3.26Å; I557-N559 PolarHBondContact O-N 3.2Å; I557-Y560 PolarHBondContact O-N 2.86Å; I557-Y560 VanDerWaalsContact O-N 3.17Å; I557-F561 PolarHBondContact O-N 3.34Å; I557-A584 WeakPolarHBondContact CD1-O 3.23Å; I557-H587 HydrophobicContact CD1-CB 3.63Å; I557-H587 HydrophobicContact CG1-CB 4.03Å; I557-L588 HydrophobicContact CD1-CB 4.2Å; I557-L588 HydrophobicContact CD1-CD1 4.21Å; I557-L588 HydrophobicContact CD1-CD2 3.5Å; I557-L588 VanDerWaalsContact CD1-CD2 3.5Å; I557-L588 HydrophobicContact CD1-CG 3.29Å; I557-L588 HydrophobicContact CG2-CD2 4.23Å |
| 558 | Q | 88.2 | Confident | 86.7 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 173.4 | -170.7 | 64.7 | 24.4 | 0 | 0 | 111.2 | A554 K555 F561 T562 | A554-Q558 PolarHBondContact O-N 3.12Å; K555-Q558 PolarHBondContact O-N 3.41Å; Q558-F561 WeakPolarHBondContact O-CB 3.41Å; Q558-F561 PolarHBondContact O-N 3.25Å; Q558-T562 WeakPolarHBondContact O-CG2 3.48Å; Q558-T562 PolarHBondContact O-N 3.35Å; Q558-T562 PolarHBondContact O-OG1 2.9Å |
| 559 | N | 91.7 | Very high | 86.1 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 176.8 | -66.6 | -8.4 | 0 | 0 | 0 | 112.4 | I495 L496 K555 F556 I557 T562 F563 | I495-N559 HydrophobicContact CG2-CB 3.81Å; I495-N559 WeakPolarHBondContact O-CB 3.43Å; I495-N559 PolarHBondContact O-ND2 3.03Å; L496-N559 PolarHBondContact O-ND2 2.99Å; K555-N559 PolarHBondContact O-N 2.81Å; K555-N559 PolarHBondContact O-OD1 2.78Å; F556-N559 PolarHBondContact O-N 2.87Å; I557-N559 VanDerWaalsContact C-N 3.26Å; I557-N559 PolarHBondContact O-N 3.2Å; N559-T562 WeakPolarHBondContact CA-OG1 3.24Å; N559-T562 PolarHBondContact O-OG1 3.32Å; N559-F563 VanDerWaalsContact O-CB 3.29Å; N559-F563 WeakPolarHBondContact O-CB 3.44Å; N559-F563 PolarHBondContact O-N 3.49Å |
| 560 | Y | 90 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 171.6 | -98.1 | -79.9 | 0 | 0 | 0 | 112.1 | V492 I495 F556 I557 T562 F563 C564 L571 H577 F580 | V492-Y560 WeakPolarHBondContact CG2-OH 3.45Å; I495-Y560 HydrophobicContact CB-CE2 4.15Å; I495-Y560 HydrophobicContact CD1-CD1 4.16Å; I495-Y560 HydrophobicContact CD1-CE1 3.61Å; I495-Y560 HydrophobicContact CD1-CE2 4.24Å; I495-Y560 HydrophobicContact CG2-CD1 4.39Å; I495-Y560 HydrophobicContact CG2-CD2 3.5Å; I495-Y560 HydrophobicContact CG2-CE2 3.62Å; I495-Y560 HydrophobicContact CG2-CG 3.91Å; F556-Y560 HydrophobicContact CD2-CD2 4.3Å; F556-Y560 HydrophobicContact CD2-CE2 4.26Å; F556-Y560 HydrophobicContact CE1-CD2 4.26Å; F556-Y560 HydrophobicContact CE1-CE2 4.03Å; F556-Y560 AromaticContact CE2-CD2 4Å; F556-Y560 HydrophobicContact CE2-CD2 4Å; F556-Y560 AromaticContact CE2-CE2 3.51Å; F556-Y560 HydrophobicContact CE2-CE2 3.51Å; F556-Y560 AromaticContact CZ-CD2 3.99Å; F556-Y560 HydrophobicContact CZ-CD2 3.99Å; F556-Y560 AromaticContact CZ-CE2 3.4Å; F556-Y560 HydrophobicContact CZ-CE2 3.4Å; F556-Y560 PolarHBondContact O-N 3.39Å; F556-Y560 VanDerWaalsContact O-N 3.08Å; I557-Y560 PolarHBondContact O-N 2.86Å; I557-Y560 VanDerWaalsContact O-N 3.17Å; Y560-T562 PolarHBondContact O-N 3.11Å; Y560-F563 PolarHBondContact O-N 3.4Å; Y560-C564 PolarHBondContact O-N 2.92Å; Y560-C564 PolarHBondContact O-SG 3.41Å; Y560-L571 HydrophobicContact CD1-CD1 4.18Å; Y560-L571 HydrophobicContact CD1-CD2 4.2Å; Y560-L571 HydrophobicContact CE1-CD2 4.16Å; Y560-H577 AromaticContact CE1-ND1 3.57Å; Y560-H577 AromaticContact CZ-ND1 3.88Å; Y560-H577 PolarHBondContact OH-ND1 3.34Å; Y560-F580 HydrophobicContact CD1-CB 4.36Å; Y560-F580 HydrophobicContact CD1-CD1 4.18Å; Y560-F580 AromaticContact CD1-CD2 3.72Å; Y560-F580 HydrophobicContact CD1-CD2 3.72Å; Y560-F580 HydrophobicContact CD1-CE1 4.46Å; Y560-F580 HydrophobicContact CD1-CE2 4.04Å; Y560-F580 AromaticContact CD1-CG 3.8Å; Y560-F580 HydrophobicContact CD1-CG 3.8Å; Y560-F580 HydrophobicContact CD1-CZ 4.41Å; Y560-F580 AromaticContact CD2-CD2 3.54Å; Y560-F580 HydrophobicContact CD2-CD2 3.54Å; Y560-F580 AromaticContact CD2-CE2 3.97Å; Y560-F580 HydrophobicContact CD2-CE2 3.97Å; Y560-F580 HydrophobicContact CD2-CG 4.3Å; Y560-F580 HydrophobicContact CE1-CB 3.8Å; Y560-F580 HydrophobicContact CE1-CD1 4.31Å; Y560-F580 AromaticContact CE1-CD2 3.99Å; Y560-F580 HydrophobicContact CE1-CD2 3.99Å; Y560-F580 AromaticContact CE1-CG 3.76Å; Y560-F580 HydrophobicContact CE1-CG 3.76Å; Y560-F580 HydrophobicContact CE2-CB 4.2Å; Y560-F580 AromaticContact CE2-CD2 3.84Å; Y560-F580 HydrophobicContact CE2-CD2 3.84Å; Y560-F580 HydrophobicContact CE2-CG 4.27Å; Y560-F580 AromaticContact CG-CD2 3.48Å; Y560-F580 HydrophobicContact CG-CD2 3.48Å; Y560-F580 VanDerWaalsContact CG-CD2 3.48Å; Y560-F580 AromaticContact CG-CE2 3.61Å; Y560-F580 HydrophobicContact CG-CE2 3.61Å; Y560-F580 HydrophobicContact CG-CG 4.07Å; Y560-F580 HydrophobicContact CG-CZ 4.29Å |
| 561 | F | 85.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177.3 | -177.5 | -96.3 | 0 | 0 | 0 | 111.8 | I557 Q558 C564 G565 G566 W568 | I557-F561 PolarHBondContact O-N 3.34Å; Q558-F561 WeakPolarHBondContact O-CB 3.41Å; Q558-F561 PolarHBondContact O-N 3.25Å; F561-C564 PolarHBondContact O-N 3.39Å; F561-G565 PolarHBondContact O-N 3.14Å; F561-G565 VanDerWaalsContact O-N 3.09Å; F561-G566 PolarHBondContact O-N 3.12Å; F561-W568 HydrophobicContact CB-CH2 4.07Å; F561-W568 AromaticContact CD2-CH2 4Å; F561-W568 HydrophobicContact CD2-CH2 4Å; F561-W568 AromaticContact CD2-CZ2 3.74Å; F561-W568 HydrophobicContact CD2-CZ2 3.74Å |
| 562 | T | 86.3 | Confident | 84 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | Q558 N559 Y560 C564 G565 | Q558-T562 WeakPolarHBondContact O-CG2 3.48Å; Q558-T562 PolarHBondContact O-N 3.35Å; Q558-T562 PolarHBondContact O-OG1 2.9Å; N559-T562 WeakPolarHBondContact CA-OG1 3.24Å; N559-T562 PolarHBondContact O-OG1 3.32Å; Y560-T562 PolarHBondContact O-N 3.11Å; T562-C564 VanDerWaalsContact C-N 3.31Å; T562-C564 PolarHBondContact O-N 3.13Å; T562-G565 PolarHBondContact O-N 3.1Å |
| 563 | F | 84.1 | Confident | 82.5 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 175.9 | -176.6 | -100 | 0 | 0 | 0 | 112.5 | I495 N559 Y560 L571 H577 | I495-F563 HydrophobicContact CD1-CD1 4.01Å; I495-F563 HydrophobicContact CD1-CD2 4.35Å; I495-F563 HydrophobicContact CD1-CE1 4.23Å; I495-F563 HydrophobicContact CD1-CG 4.07Å; I495-F563 HydrophobicContact CG1-CD2 4.28Å; I495-F563 HydrophobicContact CG1-CG 4.32Å; N559-F563 VanDerWaalsContact O-CB 3.29Å; N559-F563 WeakPolarHBondContact O-CB 3.44Å; N559-F563 PolarHBondContact O-N 3.49Å; Y560-F563 PolarHBondContact O-N 3.4Å; F563-L571 HydrophobicContact CD1-CD2 4.05Å; F563-L571 HydrophobicContact CE1-CD2 4.14Å; F563-H577 AromaticContact CE1-NE2 3.76Å |
| 564 | C | 80.5 | Confident | 81.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -83.1 | -15.1 | 180 | -57.7 | 0 | 0 | 0 | 0 | 114 | Y560 F561 T562 G566 R567 L571 | Y560-C564 PolarHBondContact O-N 2.92Å; Y560-C564 PolarHBondContact O-SG 3.41Å; F561-C564 PolarHBondContact O-N 3.39Å; T562-C564 VanDerWaalsContact C-N 3.31Å; T562-C564 PolarHBondContact O-N 3.13Å; C564-G566 PolarHBondContact O-N 3.17Å; C564-R567 PolarHBondContact O-N 3.37Å; C564-L571 WeakPolarHBondContact SG-CD1 3.41Å; C564-L571 WeakPolarHBondContact SG-CD2 3.34Å; C564-L571 WeakPolarHBondContact SG-CG 3.37Å |
| 565 | G | 76.5 | Confident | 79.8 | Confident | 56 Ų | 56 | 61 Ų | 61 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 37.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F561 T562 R567 | F561-G565 PolarHBondContact O-N 3.14Å; F561-G565 VanDerWaalsContact O-N 3.09Å; T562-G565 PolarHBondContact O-N 3.1Å; G565-R567 VanDerWaalsContact C-N 3.29Å; G565-R567 PolarHBondContact O-N 2.96Å |
| 566 | G | 71.8 | Confident | 78.9 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | F561 C564 | F561-G566 PolarHBondContact O-N 3.12Å; C564-G566 PolarHBondContact O-N 3.17Å |
| 567 | R | 79.4 | Confident | 78.4 | Confident | 163 Ų | 163 | 57.6 Ų | 57.6 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | trans | -102.7 | 90.1 | 179.3 | -58.4 | -172.9 | -151.1 | 180 | 2.4 | 111.7 | C564 G565 L569 K570 | C564-R567 PolarHBondContact O-N 3.37Å; G565-R567 VanDerWaalsContact C-N 3.29Å; G565-R567 PolarHBondContact O-N 2.96Å; R567-L569 PolarHBondContact O-N 3.26Å; R567-L569 VanDerWaalsContact O-N 3.16Å; R567-K570 HydrophobicContact CB-CD 4.39Å; R567-K570 HydrophobicContact CB-CG 4.3Å; R567-K570 PolarHBondContact O-N 3.07Å; R567-K570 VanDerWaalsContact O-N 3.14Å | ||
| 568 | W | 81.2 | Confident | 77.8 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -56.1 | -32.9 | -176.6 | -57.3 | 113.6 | 0 | 0 | 0 | 114 | F561 K570 L571 F580 W581 L600 F606 | F561-W568 HydrophobicContact CB-CH2 4.07Å; F561-W568 AromaticContact CD2-CH2 4Å; F561-W568 HydrophobicContact CD2-CH2 4Å; F561-W568 AromaticContact CD2-CZ2 3.74Å; F561-W568 HydrophobicContact CD2-CZ2 3.74Å; W568-K570 PolarHBondContact O-N 3.02Å; W568-K570 VanDerWaalsContact O-N 3.1Å; W568-L571 HydrophobicContact CE3-CD1 4.1Å; W568-L571 WeakPolarHBondContact O-CB 3.42Å; W568-L571 PolarHBondContact O-N 3.2Å; W568-F580 AromaticContact CE3-CE1 3.87Å; W568-F580 HydrophobicContact CE3-CE1 3.87Å; W568-F580 AromaticContact CE3-CZ 3.88Å; W568-F580 HydrophobicContact CE3-CZ 3.88Å; W568-F580 HydrophobicContact CH2-CZ 4.04Å; W568-F580 AromaticContact CZ3-CE1 3.82Å; W568-F580 HydrophobicContact CZ3-CE1 3.82Å; W568-F580 HydrophobicContact CZ3-CE2 4.33Å; W568-F580 AromaticContact CZ3-CZ 3.34Å; W568-F580 HydrophobicContact CZ3-CZ 3.34Å; W568-W581 HydrophobicContact CB-CH2 4.07Å; W568-W581 WeakPolarHBondContact O-CZ2 3.22Å; W568-L600 HydrophobicContact CH2-CD1 4.38Å; W568-L600 HydrophobicContact CZ2-CD1 3.66Å; W568-F606 HydrophobicContact CB-CB 4.29Å; W568-F606 HydrophobicContact CB-CD2 4.35Å; W568-F606 HydrophobicContact CD2-CD2 4.17Å; W568-F606 HydrophobicContact CG-CB 4.02Å; W568-F606 HydrophobicContact CG-CD2 4.1Å |
| 569 | L | 74.4 | Confident | 77.6 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -58.7 | -23 | 179.1 | -80.3 | 158.1 | 0 | 0 | 0 | 114.4 | R567 L571 V572 D605 R608 | R567-L569 PolarHBondContact O-N 3.26Å; R567-L569 VanDerWaalsContact O-N 3.16Å; L569-L571 PolarHBondContact O-N 3.06Å; L569-V572 HydrophobicContact CD2-CG2 4.41Å; L569-V572 WeakPolarHBondContact O-CB 3.39Å; L569-V572 WeakPolarHBondContact O-CG2 3.49Å; L569-V572 PolarHBondContact O-N 3.21Å; L569-D605 HydrophobicContact CD1-CB 4Å; L569-D605 VanDerWaalsContact CD1-OD1 3.31Å; L569-D605 WeakPolarHBondContact CD1-OD1 3.48Å; L569-D605 HydrophobicContact CG-CB 4.35Å; L569-R608 HydrophobicContact CD2-CB 4.24Å; L569-R608 HydrophobicContact CD2-CG 3.85Å |
| 570 | K | 76.2 | Confident | 77.4 | Confident | 122 Ų | 122 | 55.8 Ų | 55.8 | 53% | 0.53 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -61.9 | -31.9 | 175.7 | -72.5 | -177 | 176.5 | 176.6 | 0 | 112.5 | R567 W568 V572 S573 | R567-K570 HydrophobicContact CB-CD 4.39Å; R567-K570 HydrophobicContact CB-CG 4.3Å; R567-K570 PolarHBondContact O-N 3.07Å; R567-K570 VanDerWaalsContact O-N 3.14Å; W568-K570 PolarHBondContact O-N 3.02Å; W568-K570 VanDerWaalsContact O-N 3.1Å; K570-V572 PolarHBondContact O-N 2.83Å; K570-S573 PolarHBondContact O-N 3.11Å; K570-S573 PolarHBondContact O-OG 2.95Å |
| 571 | L | 79.7 | Confident | 77 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -69.4 | -19.8 | -179 | -64.2 | 168.7 | 0 | 0 | 0 | 113.2 | Y560 F563 C564 W568 L569 S573 S574 H577 F580 W581 | Y560-L571 HydrophobicContact CD1-CD1 4.18Å; Y560-L571 HydrophobicContact CD1-CD2 4.2Å; Y560-L571 HydrophobicContact CE1-CD2 4.16Å; F563-L571 HydrophobicContact CD1-CD2 4.05Å; F563-L571 HydrophobicContact CE1-CD2 4.14Å; C564-L571 WeakPolarHBondContact SG-CD1 3.41Å; C564-L571 WeakPolarHBondContact SG-CD2 3.34Å; C564-L571 WeakPolarHBondContact SG-CG 3.37Å; W568-L571 HydrophobicContact CE3-CD1 4.1Å; W568-L571 WeakPolarHBondContact O-CB 3.42Å; W568-L571 PolarHBondContact O-N 3.2Å; L569-L571 PolarHBondContact O-N 3.06Å; L571-S573 PolarHBondContact O-N 3.18Å; L571-S574 PolarHBondContact O-N 2.79Å; L571-S574 PolarHBondContact O-OG 3.5Å; L571-H577 HydrophobicContact CB-CB 4.5Å; L571-H577 HydrophobicContact CD2-CB 4.35Å; L571-H577 WeakPolarHBondContact CD2-CD2 3.47Å; L571-F580 HydrophobicContact CD1-CD1 3.76Å; L571-F580 HydrophobicContact CD1-CE1 3.71Å; L571-W581 HydrophobicContact CB-CZ2 3.66Å; L571-W581 HydrophobicContact CD1-CZ2 4.28Å |
| 572 | V | 68 | Low | 76.8 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -66.2 | -24.3 | -178.2 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | L569 K570 S574 W581 G609 K612 V613 | L569-V572 HydrophobicContact CD2-CG2 4.41Å; L569-V572 WeakPolarHBondContact O-CB 3.39Å; L569-V572 WeakPolarHBondContact O-CG2 3.49Å; L569-V572 PolarHBondContact O-N 3.21Å; K570-V572 PolarHBondContact O-N 2.83Å; V572-S574 VanDerWaalsContact C-N 3.26Å; V572-S574 PolarHBondContact O-N 3.3Å; V572-W581 HydrophobicContact CG2-CH2 4.35Å; V572-W581 HydrophobicContact CG2-CZ2 3.73Å; V572-G609 VanDerWaalsContact CG2-CA 3.46Å; V572-K612 HydrophobicContact CG1-CB 4.45Å; V572-K612 HydrophobicContact CG1-CD 3.7Å; V572-K612 HydrophobicContact CG1-CG 3.9Å; V572-V613 HydrophobicContact CG1-CG2 4.13Å; V572-V613 HydrophobicContact CG2-CG2 4.48Å |
| 573 | S | 61.9 | Low | 76.8 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 75% | 0.748 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -69.3 | -20.1 | -178.6 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | K570 L571 | K570-S573 PolarHBondContact O-N 3.11Å; K570-S573 PolarHBondContact O-OG 2.95Å; L571-S573 PolarHBondContact O-N 3.18Å |
| 574 | S | 64.6 | Low | 76.9 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | trans | -124.1 | 117.7 | -174.9 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | L571 V572 E576 H577 | L571-S574 PolarHBondContact O-N 2.79Å; L571-S574 PolarHBondContact O-OG 3.5Å; V572-S574 VanDerWaalsContact C-N 3.26Å; V572-S574 PolarHBondContact O-N 3.3Å; S574-E576 PolarHBondContact O-N 3.39Å; S574-H577 PolarHBondContact O-N 3.13Å; S574-H577 PolarHBondContact OG-CD2 3.25Å; S574-H577 PolarHBondContact OG-NE2 3.46Å | ||
| 575 | W | 61.2 | Low | 77.3 | Confident | 164 Ų | 164 | 47.1 Ų | 47.1 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -59.2 | -10.2 | 175.7 | -66.7 | 85.3 | 0 | 0 | 0 | 113.9 | V525 H577 I578 | V525-W575 HydrophobicContact CG2-CB 4.38Å; W575-H577 PolarHBondContact O-N 3.16Å; W575-I578 HydrophobicContact CB-CD1 4.35Å; W575-I578 HydrophobicContact CE3-CD1 3.82Å; W575-I578 WeakPolarHBondContact O-CD1 3.3Å; W575-I578 WeakPolarHBondContact O-CG1 3.45Å |
| 576 | E | 72.6 | Confident | 77.9 | Confident | 32 Ų | 32 | 46.2 Ų | 46.2 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -66.5 | -19.3 | 179.2 | -67.2 | 164.5 | 157.2 | 0 | 0 | 113.8 | T489 K491 V492 V525 N527 S574 | T489-E576 PolarHBondContact OG1-O 2.69Å; K491-E576 HydrophobicContact CD-CB 4.11Å; K491-E576 HydrophobicContact CD-CG 4.46Å; K491-E576 WeakPolarHBondContact CD-OE2 3.43Å; K491-E576 WeakPolarHBondContact CE-OE2 3.31Å; K491-E576 IonicContact NZ-OE2 2.68Å; K491-E576 PolarHBondContact NZ-OE2 2.79Å; V492-E576 WeakPolarHBondContact CG2-O 3.38Å; V525-E576 HydrophobicContact CG1-CG 3.45Å; V525-E576 VanDerWaalsContact CG1-CG 3.45Å; N527-E576 PolarHBondContact ND2-OE1 2.8Å; S574-E576 PolarHBondContact O-N 3.39Å |
| 577 | H | 81.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -103.5 | 14.1 | -175 | -58.3 | -55.4 | 0 | 0 | 0 | 114.6 | I495 Y560 F563 L571 S574 W575 Y579 F580 W581 | I495-H577 VanDerWaalsContact CD1-CE1 3.48Å; I495-H577 WeakPolarHBondContact CD1-CE1 3.3Å; Y560-H577 AromaticContact CE1-ND1 3.57Å; Y560-H577 AromaticContact CZ-ND1 3.88Å; Y560-H577 PolarHBondContact OH-ND1 3.34Å; F563-H577 AromaticContact CE1-NE2 3.76Å; L571-H577 HydrophobicContact CB-CB 4.5Å; L571-H577 HydrophobicContact CD2-CB 4.35Å; L571-H577 WeakPolarHBondContact CD2-CD2 3.47Å; S574-H577 PolarHBondContact O-N 3.13Å; S574-H577 PolarHBondContact OG-CD2 3.25Å; S574-H577 PolarHBondContact OG-NE2 3.46Å; W575-H577 PolarHBondContact O-N 3.16Å; H577-Y579 PolarHBondContact O-N 3.08Å; H577-F580 WeakPolarHBondContact O-CB 3.1Å; H577-F580 PolarHBondContact O-N 3.33Å; H577-W581 VanDerWaalsContact O-CD1 3.23Å; H577-W581 PolarHBondContact O-N 3.15Å |
| 578 | I | 78.3 | Confident | 79.3 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 32% | 0.318 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.9 | -38.4 | 178.4 | -65.6 | 161.5 | 0 | 0 | 0 | 111.6 | W575 F580 W581 N582 V613 | W575-I578 HydrophobicContact CB-CD1 4.35Å; W575-I578 HydrophobicContact CE3-CD1 3.82Å; W575-I578 WeakPolarHBondContact O-CD1 3.3Å; W575-I578 WeakPolarHBondContact O-CG1 3.45Å; I578-F580 VanDerWaalsContact C-N 3.32Å; I578-F580 PolarHBondContact O-N 3.31Å; I578-W581 PolarHBondContact O-N 3.31Å; I578-N582 PolarHBondContact O-N 3.21Å; I578-V613 HydrophobicContact CG1-CG1 4.17Å |
| 579 | Y | 83.5 | Confident | 79.7 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 11% | 0.106 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.8 | -48.4 | 175.3 | 176.6 | -93.9 | 0 | 0 | 0 | 112.3 | F482 I486 V492 F556 H577 N582 N583 H587 | F482-Y579 AromaticContact CD1-CE1 3.94Å; F482-Y579 HydrophobicContact CD1-CE1 3.94Å; F482-Y579 HydrophobicContact CD1-CE2 4.27Å; F482-Y579 AromaticContact CD1-CZ 3.54Å; F482-Y579 VanDerWaalsContact CD1-OH 3.22Å; F482-Y579 WeakPolarHBondContact CD1-OH 3.29Å; F482-Y579 HydrophobicContact CE1-CD1 4.33Å; F482-Y579 AromaticContact CE1-CE1 3.48Å; F482-Y579 HydrophobicContact CE1-CE1 3.48Å; F482-Y579 VanDerWaalsContact CE1-CE1 3.48Å; F482-Y579 AromaticContact CE1-CZ 3.62Å; I486-Y579 HydrophobicContact CB-CE2 4.43Å; I486-Y579 HydrophobicContact CD1-CE2 3.68Å; I486-Y579 HydrophobicContact CG1-CE2 4.17Å; I486-Y579 HydrophobicContact CG2-CD2 3.53Å; I486-Y579 HydrophobicContact CG2-CE2 3.49Å; I486-Y579 VanDerWaalsContact CG2-CE2 3.49Å; V492-Y579 HydrophobicContact CG1-CD1 4.16Å; F556-Y579 HydrophobicContact CE1-CD1 4.49Å; F556-Y579 AromaticContact CE1-CE1 3.97Å; F556-Y579 HydrophobicContact CE1-CE1 3.97Å; F556-Y579 HydrophobicContact CZ-CD1 4.27Å; F556-Y579 HydrophobicContact CZ-CE1 4.05Å; H577-Y579 PolarHBondContact O-N 3.08Å; Y579-N582 PolarHBondContact O-N 3.13Å; Y579-N583 HydrophobicContact CE1-CB 4.34Å; Y579-N583 HydrophobicContact CE2-CB 4.22Å; Y579-N583 WeakPolarHBondContact CE2-ND2 3.12Å; Y579-N583 PolarHBondContact O-N 3.4Å; Y579-H587 AromaticContact CE1-NE2 3.36Å; Y579-H587 WeakPolarHBondContact CE1-NE2 3.48Å; Y579-H587 AromaticContact CZ-NE2 3.51Å; Y579-H587 PolarHBondContact OH-CE1 2.7Å; Y579-H587 PolarHBondContact OH-NE2 3.04Å |
| 580 | F | 87.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 179.9 | 174 | -97.5 | 0 | 0 | 0 | 110.9 | Y560 W568 L571 H577 I578 N582 N583 A584 F606 | Y560-F580 HydrophobicContact CD1-CB 4.36Å; Y560-F580 HydrophobicContact CD1-CD1 4.18Å; Y560-F580 AromaticContact CD1-CD2 3.72Å; Y560-F580 HydrophobicContact CD1-CD2 3.72Å; Y560-F580 HydrophobicContact CD1-CE1 4.46Å; Y560-F580 HydrophobicContact CD1-CE2 4.04Å; Y560-F580 AromaticContact CD1-CG 3.8Å; Y560-F580 HydrophobicContact CD1-CG 3.8Å; Y560-F580 HydrophobicContact CD1-CZ 4.41Å; Y560-F580 AromaticContact CD2-CD2 3.54Å; Y560-F580 HydrophobicContact CD2-CD2 3.54Å; Y560-F580 AromaticContact CD2-CE2 3.97Å; Y560-F580 HydrophobicContact CD2-CE2 3.97Å; Y560-F580 HydrophobicContact CD2-CG 4.3Å; Y560-F580 HydrophobicContact CE1-CB 3.8Å; Y560-F580 HydrophobicContact CE1-CD1 4.31Å; Y560-F580 AromaticContact CE1-CD2 3.99Å; Y560-F580 HydrophobicContact CE1-CD2 3.99Å; Y560-F580 AromaticContact CE1-CG 3.76Å; Y560-F580 HydrophobicContact CE1-CG 3.76Å; Y560-F580 HydrophobicContact CE2-CB 4.2Å; Y560-F580 AromaticContact CE2-CD2 3.84Å; Y560-F580 HydrophobicContact CE2-CD2 3.84Å; Y560-F580 HydrophobicContact CE2-CG 4.27Å; Y560-F580 AromaticContact CG-CD2 3.48Å; Y560-F580 HydrophobicContact CG-CD2 3.48Å; Y560-F580 VanDerWaalsContact CG-CD2 3.48Å; Y560-F580 AromaticContact CG-CE2 3.61Å; Y560-F580 HydrophobicContact CG-CE2 3.61Å; Y560-F580 HydrophobicContact CG-CG 4.07Å; Y560-F580 HydrophobicContact CG-CZ 4.29Å; W568-F580 AromaticContact CE3-CE1 3.87Å; W568-F580 HydrophobicContact CE3-CE1 3.87Å; W568-F580 AromaticContact CE3-CZ 3.88Å; W568-F580 HydrophobicContact CE3-CZ 3.88Å; W568-F580 HydrophobicContact CH2-CZ 4.04Å; W568-F580 AromaticContact CZ3-CE1 3.82Å; W568-F580 HydrophobicContact CZ3-CE1 3.82Å; W568-F580 HydrophobicContact CZ3-CE2 4.33Å; W568-F580 AromaticContact CZ3-CZ 3.34Å; W568-F580 HydrophobicContact CZ3-CZ 3.34Å; L571-F580 HydrophobicContact CD1-CD1 3.76Å; L571-F580 HydrophobicContact CD1-CE1 3.71Å; H577-F580 WeakPolarHBondContact O-CB 3.1Å; H577-F580 PolarHBondContact O-N 3.33Å; I578-F580 VanDerWaalsContact C-N 3.32Å; I578-F580 PolarHBondContact O-N 3.31Å; F580-N582 VanDerWaalsContact C-N 3.31Å; F580-N582 PolarHBondContact O-N 3.43Å; F580-N583 PolarHBondContact O-N 3.43Å; F580-A584 HydrophobicContact CD2-CB 4.05Å; F580-A584 HydrophobicContact CE1-CB 4.32Å; F580-A584 HydrophobicContact CE2-CB 3.73Å; F580-A584 HydrophobicContact CG-CB 4.46Å; F580-A584 HydrophobicContact CZ-CB 3.87Å; F580-A584 WeakPolarHBondContact O-CB 3.45Å; F580-A584 PolarHBondContact O-N 2.85Å; F580-F606 AromaticContact CE1-CE2 3.91Å; F580-F606 HydrophobicContact CE1-CE2 3.91Å; F580-F606 HydrophobicContact CZ-CE2 4.31Å |
| 581 | W | 83.2 | Confident | 80.9 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 178.2 | -69.1 | 117.3 | 0 | 0 | 0 | 112.3 | W568 L571 V572 H577 I578 F606 R610 V613 I614 | W568-W581 HydrophobicContact CB-CH2 4.07Å; W568-W581 WeakPolarHBondContact O-CZ2 3.22Å; L571-W581 HydrophobicContact CB-CZ2 3.66Å; L571-W581 HydrophobicContact CD1-CZ2 4.28Å; V572-W581 HydrophobicContact CG2-CH2 4.35Å; V572-W581 HydrophobicContact CG2-CZ2 3.73Å; H577-W581 VanDerWaalsContact O-CD1 3.23Å; H577-W581 PolarHBondContact O-N 3.15Å; I578-W581 PolarHBondContact O-N 3.31Å; W581-F606 HydrophobicContact CE3-CD2 4.13Å; W581-F606 AromaticContact CE3-CE2 3.75Å; W581-F606 HydrophobicContact CE3-CE2 3.75Å; W581-F606 HydrophobicContact CE3-CZ 4.3Å; W581-F606 HydrophobicContact CH2-CD2 4.35Å; W581-F606 AromaticContact CZ3-CD2 3.47Å; W581-F606 HydrophobicContact CZ3-CD2 3.47Å; W581-F606 VanDerWaalsContact CZ3-CD2 3.47Å; W581-F606 AromaticContact CZ3-CE2 3.59Å; W581-F606 HydrophobicContact CZ3-CE2 3.59Å; W581-F606 HydrophobicContact CZ3-CG 4.19Å; W581-F606 HydrophobicContact CZ3-CZ 4.4Å; W581-F606 WeakPolarHBondContact CZ3-O 3.48Å; W581-R610 HydrophobicContact CE3-CB 3.92Å; W581-R610 HydrophobicContact CE3-CG 4.21Å; W581-R610 HydrophobicContact CZ3-CB 4.21Å; W581-R610 PolarHBondContact O-NE 2.85Å; W581-R610 PolarHBondContact O-NH2 3.48Å; W581-V613 HydrophobicContact CB-CG1 4.39Å; W581-V613 HydrophobicContact CG-CB 4.34Å; W581-V613 HydrophobicContact CG-CG1 4.28Å; W581-V613 HydrophobicContact CG-CG2 4.48Å; W581-I614 VanDerWaalsContact C-CD1 3.43Å; W581-I614 HydrophobicContact CB-CD1 3.87Å; W581-I614 HydrophobicContact CB-CG1 3.99Å; W581-I614 WeakPolarHBondContact O-CD1 3.34Å |
| 582 | N | 80.5 | Confident | 81.2 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.6 | -48.4 | 177.1 | -78.3 | -5.8 | 0 | 0 | 0 | 112.3 | I578 Y579 F580 R610 I614 | I578-N582 PolarHBondContact O-N 3.21Å; Y579-N582 PolarHBondContact O-N 3.13Å; F580-N582 VanDerWaalsContact C-N 3.31Å; F580-N582 PolarHBondContact O-N 3.43Å; N582-R610 PolarHBondContact O-NH2 3.08Å; N582-I614 VanDerWaalsContact OD1-CD1 3.26Å; N582-I614 WeakPolarHBondContact OD1-CD1 3.3Å; N582-I614 WeakPolarHBondContact OD1-CG2 3.46Å |
| 583 | N | 87.1 | Confident | 82.2 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -111.6 | 1.5 | -161.7 | -65.3 | -16.8 | 0 | 0 | 0 | 115.5 | Y579 F580 T585 E586 H587 | Y579-N583 HydrophobicContact CE1-CB 4.34Å; Y579-N583 HydrophobicContact CE2-CB 4.22Å; Y579-N583 WeakPolarHBondContact CE2-ND2 3.12Å; Y579-N583 PolarHBondContact O-N 3.4Å; F580-N583 PolarHBondContact O-N 3.43Å; N583-T585 VanDerWaalsContact C-N 3.26Å; N583-T585 PolarHBondContact O-N 3.27Å; N583-E586 PolarHBondContact O-N 3.01Å; N583-E586 VanDerWaalsContact O-N 3.08Å; N583-H587 PolarHBondContact O-CD2 3.41Å; N583-H587 PolarHBondContact O-N 3.16Å |
| 584 | A | 86.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.2 | -39.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I557 F580 H587 L588 L600 F606 | I557-A584 WeakPolarHBondContact CD1-O 3.23Å; F580-A584 HydrophobicContact CD2-CB 4.05Å; F580-A584 HydrophobicContact CE1-CB 4.32Å; F580-A584 HydrophobicContact CE2-CB 3.73Å; F580-A584 HydrophobicContact CG-CB 4.46Å; F580-A584 HydrophobicContact CZ-CB 3.87Å; F580-A584 WeakPolarHBondContact O-CB 3.45Å; F580-A584 PolarHBondContact O-N 2.85Å; A584-H587 PolarHBondContact O-N 3.44Å; A584-L588 PolarHBondContact O-N 3.15Å; A584-L600 HydrophobicContact CB-CD2 4.16Å; A584-F606 HydrophobicContact CB-CE2 4.32Å; A584-F606 HydrophobicContact CB-CZ 4.1Å |
| 585 | T | 88.5 | Confident | 84.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 177.6 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | N583 H587 L588 F589 L597 L601 D622 | N583-T585 VanDerWaalsContact C-N 3.26Å; N583-T585 PolarHBondContact O-N 3.27Å; T585-H587 PolarHBondContact O-N 3.4Å; T585-L588 PolarHBondContact O-N 2.86Å; T585-F589 PolarHBondContact O-N 2.93Å; T585-L597 HydrophobicContact CG2-CD1 4.03Å; T585-L597 WeakPolarHBondContact O-CD1 3.4Å; T585-L601 HydrophobicContact CG2-CD2 3.7Å; T585-L601 HydrophobicContact CG2-CG 4.2Å; T585-D622 WeakPolarHBondContact CB-OD2 3.14Å; T585-D622 WeakPolarHBondContact CG2-OD2 3.49Å; T585-D622 PolarHBondContact OG1-OD2 3.21Å |
| 586 | E | 88 | Confident | 85.8 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.6 | -37 | 177.5 | -168.4 | 165.3 | 140.5 | 0 | 0 | 112.5 | N583 F589 K590 R625 Y626 | N583-E586 PolarHBondContact O-N 3.01Å; N583-E586 VanDerWaalsContact O-N 3.08Å; E586-F589 PolarHBondContact O-N 3.34Å; E586-K590 HydrophobicContact CG-CD 4.19Å; E586-K590 WeakPolarHBondContact O-CB 3.39Å; E586-K590 WeakPolarHBondContact O-CG 3.46Å; E586-K590 PolarHBondContact O-N 3.35Å; E586-K590 WeakPolarHBondContact OE1-CE 3.45Å; E586-K590 IonicContact OE1-NZ 2.92Å; E586-K590 PolarHBondContact OE1-NZ 3.21Å; E586-R625 IonicContact OE2-CZ 2.8Å; E586-R625 IonicContact OE2-NH1 3.55Å; E586-R625 PolarHBondContact OE2-NH1 3.44Å; E586-R625 IonicContact OE2-NH2 3.32Å; E586-R625 PolarHBondContact OE2-NH2 3.48Å; E586-Y626 WeakPolarHBondContact CA-OH 3.14Å |
| 587 | H | 91.6 | Very high | 86.6 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 174.3 | -74.9 | -84.1 | 0 | 0 | 0 | 112.5 | H553 F556 I557 Y579 N583 A584 T585 F589 K590 A591 | H553-H587 WeakPolarHBondContact CB-O 3.25Å; H553-H587 AromaticContact CE1-CE1 3.95Å; H553-H587 AromaticContact CE1-ND1 3.33Å; H553-H587 PolarHBondContact CE1-ND1 2.94Å; H553-H587 VanDerWaalsContact CE1-ND1 3.33Å; H553-H587 AromaticContact CG-ND1 3.82Å; H553-H587 WeakPolarHBondContact ND1-CA 3.49Å; H553-H587 AromaticContact ND1-CE1 3.78Å; H553-H587 AromaticContact ND1-CG 3.44Å; H553-H587 AromaticContact ND1-ND1 2.77Å; H553-H587 PolarHBondContact ND1-ND1 2.9Å; F556-H587 AromaticContact CD1-CD2 3.97Å; F556-H587 AromaticContact CD1-CE1 3.77Å; F556-H587 AromaticContact CD1-CG 4Å; F556-H587 AromaticContact CD1-ND1 3.81Å; F556-H587 AromaticContact CD1-NE2 3.81Å; F556-H587 AromaticContact CE1-CD2 3.87Å; F556-H587 AromaticContact CE1-CE1 3.84Å; F556-H587 AromaticContact CE1-NE2 3.5Å; F556-H587 WeakPolarHBondContact CE1-NE2 3.26Å; I557-H587 HydrophobicContact CD1-CB 3.63Å; I557-H587 HydrophobicContact CG1-CB 4.03Å; Y579-H587 AromaticContact CE1-NE2 3.36Å; Y579-H587 WeakPolarHBondContact CE1-NE2 3.48Å; Y579-H587 AromaticContact CZ-NE2 3.51Å; Y579-H587 PolarHBondContact OH-CE1 2.7Å; Y579-H587 PolarHBondContact OH-NE2 3.04Å; N583-H587 PolarHBondContact O-CD2 3.41Å; N583-H587 PolarHBondContact O-N 3.16Å; A584-H587 PolarHBondContact O-N 3.44Å; T585-H587 PolarHBondContact O-N 3.4Å; H587-F589 VanDerWaalsContact C-N 3.33Å; H587-K590 PolarHBondContact O-N 3.36Å; H587-A591 VanDerWaalsContact O-CB 3.23Å; H587-A591 WeakPolarHBondContact O-CB 3.4Å; H587-A591 PolarHBondContact O-N 3.37Å |
| 588 | L | 89.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 175.3 | -74.5 | 169.8 | 0 | 0 | 0 | 112.1 | I557 A584 T585 A591 A592 Q593 K596 L597 L600 | I557-L588 HydrophobicContact CD1-CB 4.2Å; I557-L588 HydrophobicContact CD1-CD1 4.21Å; I557-L588 HydrophobicContact CD1-CD2 3.5Å; I557-L588 VanDerWaalsContact CD1-CD2 3.5Å; I557-L588 HydrophobicContact CD1-CG 3.29Å; I557-L588 HydrophobicContact CG2-CD2 4.23Å; A584-L588 PolarHBondContact O-N 3.15Å; T585-L588 PolarHBondContact O-N 2.86Å; L588-A591 PolarHBondContact O-N 3.46Å; L588-A592 PolarHBondContact O-N 3.11Å; L588-Q593 HydrophobicContact CD2-CB 4.19Å; L588-Q593 PolarHBondContact O-N 3.19Å; L588-K596 HydrophobicContact CD1-CB 4.49Å; L588-K596 HydrophobicContact CD2-CB 4.03Å; L588-L597 HydrophobicContact CB-CB 3.86Å; L588-L597 HydrophobicContact CB-CD1 4.08Å; L588-L597 HydrophobicContact CD1-CB 4.31Å; L588-L597 HydrophobicContact CD1-CD1 4.46Å; L588-L600 HydrophobicContact CD1-CB 3.93Å; L588-L600 HydrophobicContact CD1-CD2 3.64Å; L588-L600 HydrophobicContact CD1-CG 4.4Å |
| 589 | F | 89.2 | Confident | 87.3 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.8 | -49.5 | 177 | -176 | -101 | 0 | 0 | 0 | 111.5 | T585 E586 H587 A591 A592 L594 L597 Y626 V629 | T585-F589 PolarHBondContact O-N 2.93Å; E586-F589 PolarHBondContact O-N 3.34Å; H587-F589 VanDerWaalsContact C-N 3.33Å; F589-A591 VanDerWaalsContact C-N 3.26Å; F589-A591 PolarHBondContact O-N 2.72Å; F589-A592 PolarHBondContact O-N 2.88Å; F589-L594 HydrophobicContact CD2-CD2 3.97Å; F589-L594 HydrophobicContact CE2-CD2 4.27Å; F589-L597 HydrophobicContact CB-CD2 4.19Å; F589-L597 HydrophobicContact CD2-CD2 4.21Å; F589-Y626 HydrophobicContact CB-CE1 3.81Å; F589-Y626 HydrophobicContact CD1-CE1 4.35Å; F589-Y626 AromaticContact CD2-CD1 3.91Å; F589-Y626 HydrophobicContact CD2-CD1 3.91Å; F589-Y626 AromaticContact CD2-CE1 3.61Å; F589-Y626 HydrophobicContact CD2-CE1 3.61Å; F589-Y626 HydrophobicContact CE2-CD1 4.38Å; F589-Y626 HydrophobicContact CE2-CE1 4.28Å; F589-Y626 HydrophobicContact CG-CD1 4.41Å; F589-Y626 AromaticContact CG-CE1 3.65Å; F589-Y626 HydrophobicContact CG-CE1 3.65Å; F589-V629 HydrophobicContact CD2-CG2 4.32Å; F589-V629 HydrophobicContact CE2-CG2 4.09Å |
| 590 | K | 87.5 | Confident | 87.5 | Confident | 70 Ų | 70 | 38.4 Ų | 38.4 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.5 | -25.6 | 176.2 | -74.2 | 175.9 | 170.3 | 163.5 | 0 | 113.3 | E483 E586 H587 A592 | E483-K590 IonicContact OE1-NZ 3.71Å; E483-K590 PolarHBondContact OE1-NZ 2.92Å; E586-K590 HydrophobicContact CG-CD 4.19Å; E586-K590 WeakPolarHBondContact O-CB 3.39Å; E586-K590 WeakPolarHBondContact O-CG 3.46Å; E586-K590 PolarHBondContact O-N 3.35Å; E586-K590 WeakPolarHBondContact OE1-CE 3.45Å; E586-K590 IonicContact OE1-NZ 2.92Å; E586-K590 PolarHBondContact OE1-NZ 3.21Å; H587-K590 PolarHBondContact O-N 3.36Å; K590-A592 PolarHBondContact O-N 3.33Å |
| 591 | A | 88.8 | Confident | 87.4 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H553 A554 H587 L588 F589 Q593 | H553-A591 HydrophobicContact CB-CB 3.81Å; A554-A591 HydrophobicContact CB-CB 4.04Å; H587-A591 VanDerWaalsContact O-CB 3.23Å; H587-A591 WeakPolarHBondContact O-CB 3.4Å; H587-A591 PolarHBondContact O-N 3.37Å; L588-A591 PolarHBondContact O-N 3.46Å; F589-A591 VanDerWaalsContact C-N 3.26Å; F589-A591 PolarHBondContact O-N 2.72Å; A591-Q593 HydrophobicContact CB-CB 4.49Å; A591-Q593 HydrophobicContact CB-CG 4.2Å; A591-Q593 PolarHBondContact O-N 3.28Å; A591-Q593 VanDerWaalsContact O-N 3.16Å |
| 592 | A | 85.9 | Confident | 87.4 | Confident | 78 Ų | 78 | 39.1 Ų | 39.1 | 65% | 0.645 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L588 F589 K590 L594 | L588-A592 PolarHBondContact O-N 3.11Å; F589-A592 PolarHBondContact O-N 2.88Å; K590-A592 PolarHBondContact O-N 3.33Å; A592-L594 PolarHBondContact O-N 2.9Å |
| 593 | Q | 88.2 | Confident | 87.5 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | trans | -96.5 | 65.4 | 177.1 | -67.8 | -170.2 | -16.6 | 0 | 0 | 110.3 | L588 A591 D595 K596 L597 | L588-Q593 HydrophobicContact CD2-CB 4.19Å; L588-Q593 PolarHBondContact O-N 3.19Å; A591-Q593 HydrophobicContact CB-CB 4.49Å; A591-Q593 HydrophobicContact CB-CG 4.2Å; A591-Q593 PolarHBondContact O-N 3.28Å; A591-Q593 VanDerWaalsContact O-N 3.16Å; Q593-D595 PolarHBondContact O-N 3.05Å; Q593-K596 HydrophobicContact CB-CB 4.28Å; Q593-K596 HydrophobicContact CB-CD 4.38Å; Q593-K596 PolarHBondContact O-N 3.23Å; Q593-K596 VanDerWaalsContact OE1-NZ 3.12Å; Q593-L597 PolarHBondContact O-N 2.92Å | ||
| 594 | L | 89.3 | Confident | 86.9 | Confident | 56 Ų | 56 | 37 Ų | 37 | 29% | 0.293 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.3 | -38.6 | -172.5 | -59.8 | -177.4 | 0 | 0 | 0 | 113.3 | F589 A592 L597 V598 V629 L633 | F589-L594 HydrophobicContact CD2-CD2 3.97Å; F589-L594 HydrophobicContact CE2-CD2 4.27Å; A592-L594 PolarHBondContact O-N 2.9Å; L594-L597 WeakPolarHBondContact O-CB 3.49Å; L594-L597 PolarHBondContact O-N 3.37Å; L594-V598 PolarHBondContact O-N 2.83Å; L594-V598 VanDerWaalsContact O-N 3.1Å; L594-V629 HydrophobicContact CB-CG1 3.84Å; L594-V629 HydrophobicContact CD1-CG1 4.38Å; L594-V629 HydrophobicContact CD2-CG1 3.95Å; L594-V629 HydrophobicContact CD2-CG2 4.23Å; L594-V629 HydrophobicContact CG-CG1 4.26Å; L594-L633 HydrophobicContact CB-CD1 4.13Å |
| 595 | D | 86.5 | Confident | 86.3 | Confident | 96 Ų | 96 | 40 Ų | 40 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62 | -48.4 | 177.1 | -69.4 | -37.2 | 0 | 0 | 0 | 111.5 | Q593 L597 V598 D599 L633 | Q593-D595 PolarHBondContact O-N 3.05Å; D595-L597 VanDerWaalsContact C-N 3.27Å; D595-L597 PolarHBondContact O-N 3.45Å; D595-V598 PolarHBondContact O-N 3.05Å; D595-D599 VanDerWaalsContact O-CG 3.31Å; D595-D599 PolarHBondContact O-N 3.39Å; D595-L633 WeakPolarHBondContact OD1-CD1 3.44Å; D595-L633 WeakPolarHBondContact OD1-CD2 3.38Å |
| 596 | K | 87.8 | Confident | 86.1 | Confident | 97 Ų | 97 | 40 Ų | 40 | 42% | 0.422 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65 | -31.8 | 177.8 | -64.9 | -171.9 | -168.9 | 169.6 | 0 | 112.5 | L588 Q593 D599 L600 | L588-K596 HydrophobicContact CD1-CB 4.49Å; L588-K596 HydrophobicContact CD2-CB 4.03Å; Q593-K596 HydrophobicContact CB-CB 4.28Å; Q593-K596 HydrophobicContact CB-CD 4.38Å; Q593-K596 PolarHBondContact O-N 3.23Å; Q593-K596 VanDerWaalsContact OE1-NZ 3.12Å; K596-D599 PolarHBondContact O-N 3.25Å; K596-L600 WeakPolarHBondContact O-CB 2.95Å; K596-L600 PolarHBondContact O-N 2.71Å |
| 597 | L | 89.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | 173.7 | 173.1 | 64.1 | 0 | 0 | 0 | 110.5 | T585 L588 F589 Q593 L594 D595 L600 L601 Y626 V629 | T585-L597 HydrophobicContact CG2-CD1 4.03Å; T585-L597 WeakPolarHBondContact O-CD1 3.4Å; L588-L597 HydrophobicContact CB-CB 3.86Å; L588-L597 HydrophobicContact CB-CD1 4.08Å; L588-L597 HydrophobicContact CD1-CB 4.31Å; L588-L597 HydrophobicContact CD1-CD1 4.46Å; F589-L597 HydrophobicContact CB-CD2 4.19Å; F589-L597 HydrophobicContact CD2-CD2 4.21Å; Q593-L597 PolarHBondContact O-N 2.92Å; L594-L597 WeakPolarHBondContact O-CB 3.49Å; L594-L597 PolarHBondContact O-N 3.37Å; D595-L597 VanDerWaalsContact C-N 3.27Å; D595-L597 PolarHBondContact O-N 3.45Å; L597-L600 PolarHBondContact O-N 3.22Å; L597-L601 HydrophobicContact CD1-CD1 4.28Å; L597-L601 HydrophobicContact CD1-CG 4.48Å; L597-L601 HydrophobicContact CG-CD1 4.34Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 3.5Å; L597-Y626 HydrophobicContact CD2-CD1 3.79Å; L597-Y626 HydrophobicContact CD2-CD2 4.43Å; L597-Y626 HydrophobicContact CD2-CE1 4.11Å; L597-Y626 HydrophobicContact CD2-CG 3.97Å; L597-V629 HydrophobicContact CD2-CG1 4.45Å |
| 598 | V | 87.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 110 | L594 D595 L600 L601 I602 V629 F630 L633 R635 | L594-V598 PolarHBondContact O-N 2.83Å; L594-V598 VanDerWaalsContact O-N 3.1Å; D595-V598 PolarHBondContact O-N 3.05Å; V598-L600 VanDerWaalsContact C-N 3.26Å; V598-L600 PolarHBondContact O-N 3.11Å; V598-L601 PolarHBondContact O-N 2.92Å; V598-L601 VanDerWaalsContact O-N 3.08Å; V598-I602 VanDerWaalsContact O-CG1 3.31Å; V598-I602 WeakPolarHBondContact O-CG1 3.45Å; V598-I602 PolarHBondContact O-N 3.2Å; V598-V629 HydrophobicContact CG2-CG1 4.12Å; V598-F630 HydrophobicContact CB-CE1 4.34Å; V598-F630 HydrophobicContact CG1-CD1 3.87Å; V598-F630 HydrophobicContact CG1-CE1 3.45Å; V598-F630 VanDerWaalsContact CG1-CE1 3.45Å; V598-F630 HydrophobicContact CG1-CZ 4.02Å; V598-F630 HydrophobicContact CG2-CD1 4.21Å; V598-F630 HydrophobicContact CG2-CD2 4.45Å; V598-F630 HydrophobicContact CG2-CE1 4.2Å; V598-F630 HydrophobicContact CG2-CE2 4.39Å; V598-F630 HydrophobicContact CG2-CG 4.36Å; V598-F630 HydrophobicContact CG2-CZ 4.26Å; V598-L633 HydrophobicContact CB-CD1 4.29Å; V598-L633 HydrophobicContact CG2-CD1 3.59Å; V598-R635 VanDerWaalsContact CG1-CZ 3.45Å |
| 599 | D | 86.3 | Confident | 84.1 | Confident | 79 Ų | 79 | 42 Ų | 42 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.9 | -36.2 | 178.5 | -68 | -20.2 | 0 | 0 | 0 | 113.3 | D595 K596 I602 N603 R635 | D595-D599 VanDerWaalsContact O-CG 3.31Å; D595-D599 PolarHBondContact O-N 3.39Å; K596-D599 PolarHBondContact O-N 3.25Å; D599-I602 WeakPolarHBondContact O-CG1 3.24Å; D599-N603 WeakPolarHBondContact O-CB 3.37Å; D599-N603 PolarHBondContact O-N 2.81Å; D599-R635 IonicContact OD1-CZ 3.08Å; D599-R635 IonicContact OD1-NH1 3.78Å; D599-R635 PolarHBondContact OD1-NH1 2.91Å; D599-R635 IonicContact OD1-NH2 3.85Å; D599-R635 PolarHBondContact OD1-NH2 3.35Å |
| 600 | L | 87.5 | Confident | 83.6 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.4 | -42.3 | 175.8 | -170.9 | 71.1 | 0 | 0 | 0 | 111.7 | W568 A584 L588 K596 L597 V598 I602 N603 F606 | W568-L600 HydrophobicContact CH2-CD1 4.38Å; W568-L600 HydrophobicContact CZ2-CD1 3.66Å; A584-L600 HydrophobicContact CB-CD2 4.16Å; L588-L600 HydrophobicContact CD1-CB 3.93Å; L588-L600 HydrophobicContact CD1-CD2 3.64Å; L588-L600 HydrophobicContact CD1-CG 4.4Å; K596-L600 WeakPolarHBondContact O-CB 2.95Å; K596-L600 PolarHBondContact O-N 2.71Å; L597-L600 PolarHBondContact O-N 3.22Å; V598-L600 VanDerWaalsContact C-N 3.26Å; V598-L600 PolarHBondContact O-N 3.11Å; L600-I602 VanDerWaalsContact C-N 3.28Å; L600-I602 PolarHBondContact O-N 2.96Å; L600-N603 WeakPolarHBondContact O-CB 3.33Å; L600-N603 PolarHBondContact O-N 3.46Å; L600-F606 HydrophobicContact CD1-CB 4.17Å; L600-F606 HydrophobicContact CD1-CD1 4.14Å; L600-F606 HydrophobicContact CD1-CD2 3.73Å; L600-F606 HydrophobicContact CD1-CE1 4.49Å; L600-F606 HydrophobicContact CD1-CE2 4.14Å; L600-F606 HydrophobicContact CD1-CG 3.74Å; L600-F606 HydrophobicContact CD2-CD1 4.45Å; L600-F606 HydrophobicContact CD2-CD2 4.46Å; L600-F606 HydrophobicContact CD2-CE1 4.03Å; L600-F606 HydrophobicContact CD2-CE2 4.05Å; L600-F606 HydrophobicContact CD2-CZ 3.83Å; L600-F606 HydrophobicContact CG-CD1 3.81Å; L600-F606 HydrophobicContact CG-CD2 4.14Å; L600-F606 HydrophobicContact CG-CE1 3.87Å; L600-F606 HydrophobicContact CG-CE2 4.21Å; L600-F606 HydrophobicContact CG-CG 3.96Å; L600-F606 HydrophobicContact CG-CZ 4.08Å; L600-F606 WeakPolarHBondContact O-CD1 3.45Å |
| 601 | L | 85.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -31.5 | 178.7 | -78.4 | 173.5 | 0 | 0 | 0 | 112.5 | T585 L597 V598 L607 D622 F623 Y626 F630 | T585-L601 HydrophobicContact CG2-CD2 3.7Å; T585-L601 HydrophobicContact CG2-CG 4.2Å; L597-L601 HydrophobicContact CD1-CD1 4.28Å; L597-L601 HydrophobicContact CD1-CG 4.48Å; L597-L601 HydrophobicContact CG-CD1 4.34Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 3.5Å; V598-L601 PolarHBondContact O-N 2.92Å; V598-L601 VanDerWaalsContact O-N 3.08Å; L601-L607 VanDerWaalsContact O-CD1 3.28Å; L601-L607 WeakPolarHBondContact O-CD1 3.38Å; L601-L607 WeakPolarHBondContact O-CD2 3.39Å; L601-L607 WeakPolarHBondContact O-CG 3.35Å; L601-D622 HydrophobicContact CD2-CB 4.46Å; L601-F623 HydrophobicContact CB-CZ 4.18Å; L601-F623 HydrophobicContact CD2-CE2 4.3Å; L601-F623 WeakPolarHBondContact O-CZ 3.16Å; L601-Y626 HydrophobicContact CD1-CD2 4.19Å; L601-F630 HydrophobicContact CB-CZ 4.21Å; L601-F630 HydrophobicContact CD1-CE2 3.82Å; L601-F630 HydrophobicContact CD1-CZ 4.05Å |
| 602 | I | 82.9 | Confident | 81.7 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4 | 176.7 | 66.6 | 150.3 | 0 | 0 | 0 | 113.6 | V598 D599 L600 L604 F630 Y642 | V598-I602 VanDerWaalsContact O-CG1 3.31Å; V598-I602 WeakPolarHBondContact O-CG1 3.45Å; V598-I602 PolarHBondContact O-N 3.2Å; D599-I602 WeakPolarHBondContact O-CG1 3.24Å; L600-I602 VanDerWaalsContact C-N 3.28Å; L600-I602 PolarHBondContact O-N 2.96Å; I602-L604 PolarHBondContact O-N 2.91Å; I602-F630 HydrophobicContact CG2-CE1 4.22Å; I602-Y642 HydrophobicContact CB-CD2 4Å; I602-Y642 HydrophobicContact CB-CE1 4.25Å; I602-Y642 HydrophobicContact CB-CE2 3.61Å; I602-Y642 HydrophobicContact CB-CG 4.47Å; I602-Y642 HydrophobicContact CG2-CD2 3.67Å; I602-Y642 HydrophobicContact CG2-CE2 3.77Å; I602-Y642 HydrophobicContact CG2-CG 4.21Å; I602-Y642 WeakPolarHBondContact O-CE1 3.33Å; I602-Y642 VanDerWaalsContact O-CZ 3.26Å; I602-Y642 PolarHBondContact O-OH 3.2Å; I602-Y642 VanDerWaalsContact O-OH 3.05Å |
| 603 | N | 83.1 | Confident | 80.9 | Confident | 50 Ų | 50 | 37.9 Ų | 37.9 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | trans | -82.2 | 110.5 | 177.9 | -175.8 | -58.5 | 0 | 0 | 0 | 110.1 | D599 L600 D605 F606 L607 | D599-N603 WeakPolarHBondContact O-CB 3.37Å; D599-N603 PolarHBondContact O-N 2.81Å; L600-N603 WeakPolarHBondContact O-CB 3.33Å; L600-N603 PolarHBondContact O-N 3.46Å; N603-D605 VanDerWaalsContact C-N 3.3Å; N603-D605 PolarHBondContact O-N 3.1Å; N603-D605 WeakPolarHBondContact OD1-CB 3.41Å; N603-D605 PolarHBondContact OD1-N 3.21Å; N603-F606 HydrophobicContact CB-CB 4.01Å; N603-F606 PolarHBondContact O-N 3.31Å; N603-F606 VanDerWaalsContact O-N 3.16Å; N603-F606 PolarHBondContact OD1-N 2.92Å; N603-L607 PolarHBondContact O-N 2.86Å | ||
| 604 | L | 74 | Confident | 80 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -33.2 | -177.6 | -76.5 | -179.5 | 0 | 0 | 0 | 114 | I602 L607 R608 Y642 F645 Q747 L751 | I602-L604 PolarHBondContact O-N 2.91Å; L604-L607 HydrophobicContact CD2-CD1 4.26Å; L604-L607 PolarHBondContact O-N 2.94Å; L604-R608 WeakPolarHBondContact O-CB 3.45Å; L604-R608 PolarHBondContact O-N 2.9Å; L604-Y642 HydrophobicContact CD2-CE1 3.89Å; L604-Y642 HydrophobicContact CG-CE1 4.18Å; L604-F645 HydrophobicContact CD2-CD1 4.17Å; L604-F645 HydrophobicContact CD2-CE1 3.46Å; L604-F645 VanDerWaalsContact CD2-CE1 3.46Å; L604-F645 HydrophobicContact CD2-CZ 4.23Å; L604-Q747 HydrophobicContact CD1-CB 3.5Å; L604-Q747 HydrophobicContact CD1-CG 4.47Å; L604-Q747 VanDerWaalsContact CD1-OE1 3.25Å; L604-Q747 HydrophobicContact CG-CB 4.47Å; L604-L751 HydrophobicContact CD1-CD1 4.29Å |
| 605 | D | 75 | Confident | 78.7 | Confident | 65 Ų | 65 | 36 Ų | 36 | 35% | 0.348 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.2 | -78.9 | -18.2 | 0 | 0 | 0 | 111.5 | L569 N603 G609 | L569-D605 HydrophobicContact CD1-CB 4Å; L569-D605 VanDerWaalsContact CD1-OD1 3.31Å; L569-D605 WeakPolarHBondContact CD1-OD1 3.48Å; L569-D605 HydrophobicContact CG-CB 4.35Å; N603-D605 VanDerWaalsContact C-N 3.3Å; N603-D605 PolarHBondContact O-N 3.1Å; N603-D605 WeakPolarHBondContact OD1-CB 3.41Å; N603-D605 PolarHBondContact OD1-N 3.21Å; D605-G609 PolarHBondContact O-N 3.28Å; D605-G609 VanDerWaalsContact O-N 3.11Å |
| 606 | F | 83.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -49.3 | 174.2 | 179.3 | -101.4 | 0 | 0 | 0 | 110.8 | W568 F580 W581 A584 L600 N603 R608 G609 R610 | W568-F606 HydrophobicContact CB-CB 4.29Å; W568-F606 HydrophobicContact CB-CD2 4.35Å; W568-F606 HydrophobicContact CD2-CD2 4.17Å; W568-F606 HydrophobicContact CG-CB 4.02Å; W568-F606 HydrophobicContact CG-CD2 4.1Å; F580-F606 AromaticContact CE1-CE2 3.91Å; F580-F606 HydrophobicContact CE1-CE2 3.91Å; F580-F606 HydrophobicContact CZ-CE2 4.31Å; W581-F606 HydrophobicContact CE3-CD2 4.13Å; W581-F606 AromaticContact CE3-CE2 3.75Å; W581-F606 HydrophobicContact CE3-CE2 3.75Å; W581-F606 HydrophobicContact CE3-CZ 4.3Å; W581-F606 HydrophobicContact CH2-CD2 4.35Å; W581-F606 AromaticContact CZ3-CD2 3.47Å; W581-F606 HydrophobicContact CZ3-CD2 3.47Å; W581-F606 VanDerWaalsContact CZ3-CD2 3.47Å; W581-F606 AromaticContact CZ3-CE2 3.59Å; W581-F606 HydrophobicContact CZ3-CE2 3.59Å; W581-F606 HydrophobicContact CZ3-CG 4.19Å; W581-F606 HydrophobicContact CZ3-CZ 4.4Å; W581-F606 WeakPolarHBondContact CZ3-O 3.48Å; A584-F606 HydrophobicContact CB-CE2 4.32Å; A584-F606 HydrophobicContact CB-CZ 4.1Å; L600-F606 HydrophobicContact CD1-CB 4.17Å; L600-F606 HydrophobicContact CD1-CD1 4.14Å; L600-F606 HydrophobicContact CD1-CD2 3.73Å; L600-F606 HydrophobicContact CD1-CE1 4.49Å; L600-F606 HydrophobicContact CD1-CE2 4.14Å; L600-F606 HydrophobicContact CD1-CG 3.74Å; L600-F606 HydrophobicContact CD2-CD1 4.45Å; L600-F606 HydrophobicContact CD2-CD2 4.46Å; L600-F606 HydrophobicContact CD2-CE1 4.03Å; L600-F606 HydrophobicContact CD2-CE2 4.05Å; L600-F606 HydrophobicContact CD2-CZ 3.83Å; L600-F606 HydrophobicContact CG-CD1 3.81Å; L600-F606 HydrophobicContact CG-CD2 4.14Å; L600-F606 HydrophobicContact CG-CE1 3.87Å; L600-F606 HydrophobicContact CG-CE2 4.21Å; L600-F606 HydrophobicContact CG-CG 3.96Å; L600-F606 HydrophobicContact CG-CZ 4.08Å; L600-F606 WeakPolarHBondContact O-CD1 3.45Å; N603-F606 HydrophobicContact CB-CB 4.01Å; N603-F606 PolarHBondContact O-N 3.31Å; N603-F606 VanDerWaalsContact O-N 3.16Å; N603-F606 PolarHBondContact OD1-N 2.92Å; F606-R608 VanDerWaalsContact C-N 3.3Å; F606-R608 PolarHBondContact O-N 2.96Å; F606-G609 PolarHBondContact O-N 2.95Å; F606-R610 WeakPolarHBondContact O-CB 3.43Å; F606-R610 PolarHBondContact O-N 3.02Å |
| 607 | L | 79.3 | Confident | 76.3 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -42.3 | 177.3 | -74.5 | 174.2 | 0 | 0 | 0 | 111.9 | L601 N603 L604 R610 L611 V619 F623 Y642 I646 | L601-L607 VanDerWaalsContact O-CD1 3.28Å; L601-L607 WeakPolarHBondContact O-CD1 3.38Å; L601-L607 WeakPolarHBondContact O-CD2 3.39Å; L601-L607 WeakPolarHBondContact O-CG 3.35Å; N603-L607 PolarHBondContact O-N 2.86Å; L604-L607 HydrophobicContact CD2-CD1 4.26Å; L604-L607 PolarHBondContact O-N 2.94Å; L607-R610 PolarHBondContact O-N 3.19Å; L607-L611 VanDerWaalsContact O-CB 3.28Å; L607-L611 WeakPolarHBondContact O-CB 3.46Å; L607-L611 WeakPolarHBondContact O-CG 3.47Å; L607-L611 PolarHBondContact O-N 2.72Å; L607-V619 HydrophobicContact CD2-CG1 3.63Å; L607-F623 HydrophobicContact CD2-CE2 3.99Å; L607-Y642 HydrophobicContact CD1-CD1 3.89Å; L607-Y642 HydrophobicContact CD1-CE1 4.23Å; L607-I646 HydrophobicContact CD1-CD1 4.03Å; L607-I646 HydrophobicContact CD1-CG1 4.49Å; L607-I646 HydrophobicContact CD2-CD1 3.99Å |
| 608 | R | 74.1 | Confident | 75.3 | Confident | 85 Ų | 85 | 34.6 Ų | 34.6 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61 | -46.4 | 177 | -179.4 | 174.3 | 177.1 | -147.8 | -1.6 | 112.1 | L569 L604 F606 R610 K612 I653 | L569-R608 HydrophobicContact CD2-CB 4.24Å; L569-R608 HydrophobicContact CD2-CG 3.85Å; L604-R608 WeakPolarHBondContact O-CB 3.45Å; L604-R608 PolarHBondContact O-N 2.9Å; F606-R608 VanDerWaalsContact C-N 3.3Å; F606-R608 PolarHBondContact O-N 2.96Å; R608-R610 VanDerWaalsContact C-N 3.33Å; R608-K612 VanDerWaalsContact O-CB 3.32Å; R608-K612 WeakPolarHBondContact O-CB 3.37Å; R608-K612 PolarHBondContact O-N 3.32Å; R608-K612 VanDerWaalsContact O-N 3.08Å; R608-I653 HydrophobicContact CB-CG2 3.67Å; R608-I653 WeakPolarHBondContact CD-O 3.3Å; R608-I653 HydrophobicContact CG-CG2 3.83Å; R608-I653 WeakPolarHBondContact CG-O 3.49Å; R608-I653 PolarHBondContact NE-O 3.32Å |
| 609 | G | 73.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V572 D605 F606 K612 V613 | V572-G609 VanDerWaalsContact CG2-CA 3.46Å; D605-G609 PolarHBondContact O-N 3.28Å; D605-G609 VanDerWaalsContact O-N 3.11Å; F606-G609 PolarHBondContact O-N 2.95Å; G609-K612 PolarHBondContact O-N 2.79Å; G609-V613 WeakPolarHBondContact O-CG2 3.13Å; G609-V613 PolarHBondContact O-N 2.77Å |
| 610 | R | 79.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.2 | -44.9 | -179.6 | -155.8 | 173.5 | -172.5 | -153 | 0.9 | 112.6 | W581 N582 F606 L607 R608 K612 V613 I614 V619 D622 | W581-R610 HydrophobicContact CE3-CB 3.92Å; W581-R610 HydrophobicContact CE3-CG 4.21Å; W581-R610 HydrophobicContact CZ3-CB 4.21Å; W581-R610 PolarHBondContact O-NE 2.85Å; W581-R610 PolarHBondContact O-NH2 3.48Å; N582-R610 PolarHBondContact O-NH2 3.08Å; F606-R610 WeakPolarHBondContact O-CB 3.43Å; F606-R610 PolarHBondContact O-N 3.02Å; L607-R610 PolarHBondContact O-N 3.19Å; R608-R610 VanDerWaalsContact C-N 3.33Å; R610-K612 VanDerWaalsContact C-N 3.29Å; R610-K612 PolarHBondContact O-N 2.85Å; R610-V613 PolarHBondContact O-N 2.86Å; R610-I614 HydrophobicContact CG-CD1 3.35Å; R610-I614 HydrophobicContact CG-CG1 4.1Å; R610-I614 PolarHBondContact O-N 3.35Å; R610-V619 HydrophobicContact CB-CG2 4.29Å; R610-V619 HydrophobicContact CG-CG2 3.92Å; R610-D622 IonicContact CZ-OD2 2.62Å; R610-D622 IonicContact NH1-OD2 2.87Å; R610-D622 PolarHBondContact NH1-OD2 3.07Å; R610-D622 IonicContact NH2-OD2 2.85Å; R610-D622 PolarHBondContact NH2-OD2 2.97Å |
| 611 | L | 70.4 | Confident | 73.2 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 174.5 | -73.8 | 172.6 | 0 | 0 | 0 | 111.5 | L607 G615 T616 V619 I646 A650 I653 I654 | L607-L611 VanDerWaalsContact O-CB 3.28Å; L607-L611 WeakPolarHBondContact O-CB 3.46Å; L607-L611 WeakPolarHBondContact O-CG 3.47Å; L607-L611 PolarHBondContact O-N 2.72Å; L611-G615 WeakPolarHBondContact O-CA 3.39Å; L611-G615 PolarHBondContact O-N 2.62Å; L611-T616 HydrophobicContact CD2-CG2 3.7Å; L611-V619 HydrophobicContact CD2-CB 4.35Å; L611-V619 HydrophobicContact CD2-CG2 4.02Å; L611-V619 HydrophobicContact CG-CG2 4.45Å; L611-I646 HydrophobicContact CD2-CG2 4.32Å; L611-A650 HydrophobicContact CD1-CB 4.32Å; L611-A650 HydrophobicContact CD2-CB 4.24Å; L611-I653 HydrophobicContact CD1-CB 4.32Å; L611-I653 HydrophobicContact CD1-CD1 4.16Å; L611-I653 HydrophobicContact CD1-CG2 4.14Å; L611-I654 HydrophobicContact CB-CD1 4.14Å; L611-I654 HydrophobicContact CB-CG1 3.83Å |
| 612 | K | 65.6 | Low | 72.9 | Confident | 121 Ų | 121 | 33.9 Ų | 33.9 | 53% | 0.526 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70.5 | -32 | 177.9 | -179 | 161.1 | 168.5 | 176.7 | 0 | 113.5 | V572 R608 G609 R610 I654 | V572-K612 HydrophobicContact CG1-CB 4.45Å; V572-K612 HydrophobicContact CG1-CD 3.7Å; V572-K612 HydrophobicContact CG1-CG 3.9Å; R608-K612 VanDerWaalsContact O-CB 3.32Å; R608-K612 WeakPolarHBondContact O-CB 3.37Å; R608-K612 PolarHBondContact O-N 3.32Å; R608-K612 VanDerWaalsContact O-N 3.08Å; G609-K612 PolarHBondContact O-N 2.79Å; R610-K612 VanDerWaalsContact C-N 3.29Å; R610-K612 PolarHBondContact O-N 2.85Å; K612-I654 HydrophobicContact CB-CG2 4.31Å; K612-I654 HydrophobicContact CG-CG2 4.39Å |
| 613 | V | 69.1 | Low | 72.7 | Confident | 42 Ų | 42 | 33.1 Ų | 33.1 | 26% | 0.255 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -93.4 | -44.7 | -176.7 | 176.4 | 0 | 0 | 0 | 0 | 113 | V572 I578 W581 G609 R610 | V572-V613 HydrophobicContact CG1-CG2 4.13Å; V572-V613 HydrophobicContact CG2-CG2 4.48Å; I578-V613 HydrophobicContact CG1-CG1 4.17Å; W581-V613 HydrophobicContact CB-CG1 4.39Å; W581-V613 HydrophobicContact CG-CB 4.34Å; W581-V613 HydrophobicContact CG-CG1 4.28Å; W581-V613 HydrophobicContact CG-CG2 4.48Å; G609-V613 WeakPolarHBondContact O-CG2 3.13Å; G609-V613 PolarHBondContact O-N 2.77Å; R610-V613 PolarHBondContact O-N 2.86Å |
| 614 | I | 69.7 | Low | 72.5 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -25 | -171.4 | -30.4 | 168.6 | 0 | 0 | 0 | 112.8 | W581 N582 R610 P618 | W581-I614 VanDerWaalsContact C-CD1 3.43Å; W581-I614 HydrophobicContact CB-CD1 3.87Å; W581-I614 HydrophobicContact CB-CG1 3.99Å; W581-I614 WeakPolarHBondContact O-CD1 3.34Å; N582-I614 VanDerWaalsContact OD1-CD1 3.26Å; N582-I614 WeakPolarHBondContact OD1-CD1 3.3Å; N582-I614 WeakPolarHBondContact OD1-CG2 3.46Å; R610-I614 HydrophobicContact CG-CD1 3.35Å; R610-I614 HydrophobicContact CG-CG1 4.1Å; R610-I614 PolarHBondContact O-N 3.35Å; I614-P618 HydrophobicContact CB-CG 3.84Å; I614-P618 HydrophobicContact CG2-CB 4.2Å; I614-P618 HydrophobicContact CG2-CG 3.37Å |
| 615 | G | 62 | Low | 73 | Confident | 25 Ų | 25 | 42.5 Ų | 42.5 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | trans | 92.1 | -175.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L611 V619 | L611-G615 WeakPolarHBondContact O-CA 3.39Å; L611-G615 PolarHBondContact O-N 2.62Å; G615-V619 WeakPolarHBondContact O-CG2 3.24Å | ||
| 616 | T | 59.3 | Low | 73.7 | Confident | 46 Ų | 46 | 39.7 Ų | 39.7 | 28% | 0.282 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -78.7 | -40.3 | -169.4 | 45.8 | 0 | 0 | 0 | 0 | 114.4 | L611 V619 I620 A650 | L611-T616 HydrophobicContact CD2-CG2 3.7Å; T616-V619 PolarHBondContact O-N 2.87Å; T616-I620 WeakPolarHBondContact O-CG1 3.33Å; T616-I620 PolarHBondContact O-N 2.8Å; T616-A650 HydrophobicContact CG2-CB 3.18Å |
| 617 | T | 63.8 | Low | 73.8 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.4 | -50.7 | -173.3 | -40.6 | 0 | 0 | 0 | 0 | 113.9 | V619 I620 A621 | T617-V619 VanDerWaalsContact C-N 3.29Å; T617-V619 PolarHBondContact O-N 3.14Å; T617-I620 PolarHBondContact O-N 2.85Å; T617-A621 WeakPolarHBondContact O-CB 3.43Å; T617-A621 PolarHBondContact O-N 3.3Å |
| 618 | P | 68.7 | Low | 73.9 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.2 | -30.5 | 180 | 23.3 | -29.3 | 0 | 0 | 0 | 112.4 | I614 D622 | I614-P618 HydrophobicContact CB-CG 3.84Å; I614-P618 HydrophobicContact CG2-CB 4.2Å; I614-P618 HydrophobicContact CG2-CG 3.37Å; P618-D622 PolarHBondContact O-N 3.48Å |
| 619 | V | 74.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -46.8 | 175 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | L607 R610 L611 G615 T616 T617 D622 F623 I646 | L607-V619 HydrophobicContact CD2-CG1 3.63Å; R610-V619 HydrophobicContact CB-CG2 4.29Å; R610-V619 HydrophobicContact CG-CG2 3.92Å; L611-V619 HydrophobicContact CD2-CB 4.35Å; L611-V619 HydrophobicContact CD2-CG2 4.02Å; L611-V619 HydrophobicContact CG-CG2 4.45Å; G615-V619 WeakPolarHBondContact O-CG2 3.24Å; T616-V619 PolarHBondContact O-N 2.87Å; T617-V619 VanDerWaalsContact C-N 3.29Å; T617-V619 PolarHBondContact O-N 3.14Å; V619-D622 PolarHBondContact O-N 3.27Å; V619-F623 HydrophobicContact CG1-CD2 4.23Å; V619-F623 HydrophobicContact CG1-CE2 4.17Å; V619-F623 WeakPolarHBondContact O-CD2 3.49Å; V619-F623 PolarHBondContact O-N 3.17Å; V619-F623 VanDerWaalsContact O-N 3.13Å; V619-I646 HydrophobicContact CG1-CD1 3.94Å |
| 620 | I | 70 | Confident | 75 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.5 | -67.6 | 166.7 | 0 | 0 | 0 | 111.2 | T616 T617 D622 F623 Q624 L643 I646 Q647 I1028 | T616-I620 WeakPolarHBondContact O-CG1 3.33Å; T616-I620 PolarHBondContact O-N 2.8Å; T617-I620 PolarHBondContact O-N 2.85Å; I620-D622 VanDerWaalsContact C-N 3.29Å; I620-D622 PolarHBondContact O-N 3.05Å; I620-F623 PolarHBondContact O-N 2.87Å; I620-Q624 WeakPolarHBondContact O-CG 3.4Å; I620-Q624 PolarHBondContact O-N 3.47Å; I620-L643 HydrophobicContact CG2-CD1 4.09Å; I620-I646 HydrophobicContact CG1-CG2 4.24Å; I620-Q647 HydrophobicContact CD1-CG 3.93Å; I620-Q647 HydrophobicContact CG1-CG 4.37Å; I620-I1028 HydrophobicContact CD1-CD1 4.17Å |
| 621 | A | 72.6 | Confident | 75.2 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 39% | 0.388 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T617 Q624 R625 | T617-A621 WeakPolarHBondContact O-CB 3.43Å; T617-A621 PolarHBondContact O-N 3.3Å; A621-Q624 PolarHBondContact O-N 3.37Å; A621-R625 WeakPolarHBondContact O-CB 3.5Å; A621-R625 PolarHBondContact O-N 2.88Å |
| 622 | D | 79.8 | Confident | 75.9 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.6 | -89.8 | 11.7 | 0 | 0 | 0 | 112.9 | T585 L601 R610 P618 V619 I620 Q624 R625 Y626 | T585-D622 WeakPolarHBondContact CB-OD2 3.14Å; T585-D622 WeakPolarHBondContact CG2-OD2 3.49Å; T585-D622 PolarHBondContact OG1-OD2 3.21Å; L601-D622 HydrophobicContact CD2-CB 4.46Å; R610-D622 IonicContact CZ-OD2 2.62Å; R610-D622 IonicContact NH1-OD2 2.87Å; R610-D622 PolarHBondContact NH1-OD2 3.07Å; R610-D622 IonicContact NH2-OD2 2.85Å; R610-D622 PolarHBondContact NH2-OD2 2.97Å; P618-D622 PolarHBondContact O-N 3.48Å; V619-D622 PolarHBondContact O-N 3.27Å; I620-D622 VanDerWaalsContact C-N 3.29Å; I620-D622 PolarHBondContact O-N 3.05Å; D622-Q624 PolarHBondContact O-N 3.43Å; D622-R625 PolarHBondContact O-N 2.92Å; D622-Y626 HydrophobicContact CB-CD2 4.34Å; D622-Y626 HydrophobicContact CB-CE2 4.39Å; D622-Y626 WeakPolarHBondContact O-CD2 3.23Å; D622-Y626 PolarHBondContact O-N 3.04Å |
| 623 | F | 79.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 172.8 | -90.7 | -90 | 0 | 0 | 0 | 110.8 | L601 L607 V619 I620 R627 F630 W639 L643 I646 | L601-F623 HydrophobicContact CB-CZ 4.18Å; L601-F623 HydrophobicContact CD2-CE2 4.3Å; L601-F623 WeakPolarHBondContact O-CZ 3.16Å; L607-F623 HydrophobicContact CD2-CE2 3.99Å; V619-F623 HydrophobicContact CG1-CD2 4.23Å; V619-F623 HydrophobicContact CG1-CE2 4.17Å; V619-F623 WeakPolarHBondContact O-CD2 3.49Å; V619-F623 PolarHBondContact O-N 3.17Å; V619-F623 VanDerWaalsContact O-N 3.13Å; I620-F623 PolarHBondContact O-N 2.87Å; F623-R627 PolarHBondContact O-N 2.72Å; F623-F630 HydrophobicContact CD1-CE2 4.46Å; F623-F630 HydrophobicContact CD1-CZ 4.3Å; F623-F630 HydrophobicContact CE1-CZ 4.07Å; F623-W639 AromaticContact CD1-CD1 3.82Å; F623-W639 PolarHBondContact O-NE1 3.19Å; F623-L643 HydrophobicContact CB-CD1 4.12Å; F623-I646 HydrophobicContact CD2-CD1 3.95Å; F623-I646 HydrophobicContact CE2-CD1 3.35Å; F623-I646 HydrophobicContact CZ-CD1 3.87Å |
| 624 | Q | 78.7 | Confident | 77.7 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 176.1 | -68.6 | 179.5 | -6.7 | 0 | 0 | 112.3 | I620 A621 D622 Y626 R627 | I620-Q624 WeakPolarHBondContact O-CG 3.4Å; I620-Q624 PolarHBondContact O-N 3.47Å; A621-Q624 PolarHBondContact O-N 3.37Å; D622-Q624 PolarHBondContact O-N 3.43Å; Q624-Y626 VanDerWaalsContact C-N 3.33Å; Q624-Y626 PolarHBondContact O-N 3.11Å; Q624-R627 VanDerWaalsContact O-CB 3.28Å; Q624-R627 WeakPolarHBondContact O-CB 3.4Å; Q624-R627 PolarHBondContact O-N 3.06Å |
| 625 | R | 83.4 | Confident | 78.5 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 55% | 0.547 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 179.8 | -174.4 | 179.5 | -176.4 | -170 | 0.8 | 111.8 | E586 A621 D622 | E586-R625 IonicContact OE2-CZ 2.8Å; E586-R625 IonicContact OE2-NH1 3.55Å; E586-R625 PolarHBondContact OE2-NH1 3.44Å; E586-R625 IonicContact OE2-NH2 3.32Å; E586-R625 PolarHBondContact OE2-NH2 3.48Å; A621-R625 WeakPolarHBondContact O-CB 3.5Å; A621-R625 PolarHBondContact O-N 2.88Å; D622-R625 PolarHBondContact O-N 2.92Å |
| 626 | Y | 89.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 11.7 | -178 | -59.5 | -62.6 | 0 | 0 | 0 | 113.9 | E586 F589 L597 L601 D622 Q624 A628 V629 F630 | E586-Y626 WeakPolarHBondContact CA-OH 3.14Å; F589-Y626 HydrophobicContact CB-CE1 3.81Å; F589-Y626 HydrophobicContact CD1-CE1 4.35Å; F589-Y626 AromaticContact CD2-CD1 3.91Å; F589-Y626 HydrophobicContact CD2-CD1 3.91Å; F589-Y626 AromaticContact CD2-CE1 3.61Å; F589-Y626 HydrophobicContact CD2-CE1 3.61Å; F589-Y626 HydrophobicContact CE2-CD1 4.38Å; F589-Y626 HydrophobicContact CE2-CE1 4.28Å; F589-Y626 HydrophobicContact CG-CD1 4.41Å; F589-Y626 AromaticContact CG-CE1 3.65Å; F589-Y626 HydrophobicContact CG-CE1 3.65Å; L597-Y626 HydrophobicContact CD2-CD1 3.79Å; L597-Y626 HydrophobicContact CD2-CD2 4.43Å; L597-Y626 HydrophobicContact CD2-CE1 4.11Å; L597-Y626 HydrophobicContact CD2-CG 3.97Å; L601-Y626 HydrophobicContact CD1-CD2 4.19Å; D622-Y626 HydrophobicContact CB-CD2 4.34Å; D622-Y626 HydrophobicContact CB-CE2 4.39Å; D622-Y626 WeakPolarHBondContact O-CD2 3.23Å; D622-Y626 PolarHBondContact O-N 3.04Å; Q624-Y626 VanDerWaalsContact C-N 3.33Å; Q624-Y626 PolarHBondContact O-N 3.11Å; Y626-A628 PolarHBondContact O-N 3.22Å; Y626-A628 VanDerWaalsContact O-N 3.17Å; Y626-V629 HydrophobicContact CD1-CG2 4.21Å; Y626-V629 WeakPolarHBondContact O-CA 3.34Å; Y626-V629 VanDerWaalsContact O-CB 3.3Å; Y626-V629 WeakPolarHBondContact O-CB 3.4Å; Y626-V629 PolarHBondContact O-N 3.19Å; Y626-F630 WeakPolarHBondContact O-CD2 3.49Å; Y626-F630 PolarHBondContact O-N 3.25Å |
| 627 | R | 86.6 | Confident | 80.1 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -50.4 | -42.4 | 177.2 | 178.4 | -177.8 | 167.5 | -170.5 | -1.7 | 112.6 | F623 Q624 V629 F630 V631 M636 W639 | F623-R627 PolarHBondContact O-N 2.72Å; Q624-R627 VanDerWaalsContact O-CB 3.28Å; Q624-R627 WeakPolarHBondContact O-CB 3.4Å; Q624-R627 PolarHBondContact O-N 3.06Å; R627-V629 VanDerWaalsContact C-N 3.25Å; R627-V629 PolarHBondContact O-N 3.01Å; R627-F630 PolarHBondContact O-N 2.98Å; R627-V631 WeakPolarHBondContact O-CG2 3.45Å; R627-V631 PolarHBondContact O-N 2.9Å; R627-V631 VanDerWaalsContact O-N 3.15Å; R627-M636 HydrophobicContact CG-CE 4.29Å; R627-W639 HydrophobicContact CB-CZ2 4.33Å; R627-W639 HydrophobicContact CG-CZ2 4.1Å |
| 628 | A | 81.8 | Confident | 80.8 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.7 | -34.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y626 V631 T632 | Y626-A628 PolarHBondContact O-N 3.22Å; Y626-A628 VanDerWaalsContact O-N 3.17Å; A628-V631 WeakPolarHBondContact O-CB 3.47Å; A628-V631 PolarHBondContact O-N 3.02Å; A628-T632 WeakPolarHBondContact O-CG2 3.44Å; A628-T632 PolarHBondContact O-N 3.21Å; A628-T632 PolarHBondContact O-OG1 3.32Å |
| 629 | V | 85.5 | Confident | 81.6 | Confident | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 178.1 | -177.3 | 0 | 0 | 0 | 0 | 111 | F589 L594 L597 V598 Y626 R627 V631 T632 L633 | F589-V629 HydrophobicContact CD2-CG2 4.32Å; F589-V629 HydrophobicContact CE2-CG2 4.09Å; L594-V629 HydrophobicContact CB-CG1 3.84Å; L594-V629 HydrophobicContact CD1-CG1 4.38Å; L594-V629 HydrophobicContact CD2-CG1 3.95Å; L594-V629 HydrophobicContact CD2-CG2 4.23Å; L594-V629 HydrophobicContact CG-CG1 4.26Å; L597-V629 HydrophobicContact CD2-CG1 4.45Å; V598-V629 HydrophobicContact CG2-CG1 4.12Å; Y626-V629 HydrophobicContact CD1-CG2 4.21Å; Y626-V629 WeakPolarHBondContact O-CA 3.34Å; Y626-V629 VanDerWaalsContact O-CB 3.3Å; Y626-V629 WeakPolarHBondContact O-CB 3.4Å; Y626-V629 PolarHBondContact O-N 3.19Å; R627-V629 VanDerWaalsContact C-N 3.25Å; R627-V629 PolarHBondContact O-N 3.01Å; V629-V631 VanDerWaalsContact C-N 3.29Å; V629-V631 PolarHBondContact O-N 3.35Å; V629-T632 VanDerWaalsContact CA-OG1 3.31Å; V629-T632 WeakPolarHBondContact CA-OG1 3.21Å; V629-T632 PolarHBondContact O-N 2.89Å; V629-T632 PolarHBondContact O-OG1 3.41Å; V629-L633 HydrophobicContact CG1-CD1 4.1Å; V629-L633 WeakPolarHBondContact O-CG 3.41Å; V629-L633 PolarHBondContact O-N 3.4Å |
| 630 | F | 85.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 174.3 | -75.3 | -94.2 | 0 | 0 | 0 | 112.4 | V598 L601 I602 F623 Y626 R627 N634 R635 W639 | V598-F630 HydrophobicContact CB-CE1 4.34Å; V598-F630 HydrophobicContact CG1-CD1 3.87Å; V598-F630 HydrophobicContact CG1-CE1 3.45Å; V598-F630 VanDerWaalsContact CG1-CE1 3.45Å; V598-F630 HydrophobicContact CG1-CZ 4.02Å; V598-F630 HydrophobicContact CG2-CD1 4.21Å; V598-F630 HydrophobicContact CG2-CD2 4.45Å; V598-F630 HydrophobicContact CG2-CE1 4.2Å; V598-F630 HydrophobicContact CG2-CE2 4.39Å; V598-F630 HydrophobicContact CG2-CG 4.36Å; V598-F630 HydrophobicContact CG2-CZ 4.26Å; L601-F630 HydrophobicContact CB-CZ 4.21Å; L601-F630 HydrophobicContact CD1-CE2 3.82Å; L601-F630 HydrophobicContact CD1-CZ 4.05Å; I602-F630 HydrophobicContact CG2-CE1 4.22Å; F623-F630 HydrophobicContact CD1-CE2 4.46Å; F623-F630 HydrophobicContact CD1-CZ 4.3Å; F623-F630 HydrophobicContact CE1-CZ 4.07Å; Y626-F630 WeakPolarHBondContact O-CD2 3.49Å; Y626-F630 PolarHBondContact O-N 3.25Å; R627-F630 PolarHBondContact O-N 2.98Å; F630-N634 PolarHBondContact O-N 3.45Å; F630-R635 HydrophobicContact CD1-CB 4.29Å; F630-R635 PolarHBondContact O-N 3.46Å; F630-W639 HydrophobicContact CB-CB 4.04Å; F630-W639 HydrophobicContact CB-CG 4.45Å; F630-W639 HydrophobicContact CD1-CB 3.69Å; F630-W639 HydrophobicContact CD1-CG 4.49Å; F630-W639 HydrophobicContact CD2-CB 4.31Å; F630-W639 AromaticContact CD2-CD1 3.57Å; F630-W639 HydrophobicContact CD2-CG 4.28Å; F630-W639 HydrophobicContact CE1-CB 4.12Å; F630-W639 AromaticContact CE2-CD1 3.81Å; F630-W639 HydrophobicContact CG-CB 3.78Å; F630-W639 AromaticContact CG-CD1 3.91Å; F630-W639 HydrophobicContact CG-CG 4.18Å |
| 631 | V | 84.1 | Confident | 81.4 | Confident | 81 Ų | 81 | 60.7 Ų | 60.7 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 174.5 | 176 | 0 | 0 | 0 | 0 | 110.5 | R627 A628 V629 L633 N634 M636 | R627-V631 WeakPolarHBondContact O-CG2 3.45Å; R627-V631 PolarHBondContact O-N 2.9Å; R627-V631 VanDerWaalsContact O-N 3.15Å; A628-V631 WeakPolarHBondContact O-CB 3.47Å; A628-V631 PolarHBondContact O-N 3.02Å; V629-V631 VanDerWaalsContact C-N 3.29Å; V629-V631 PolarHBondContact O-N 3.35Å; V631-L633 VanDerWaalsContact C-N 3.28Å; V631-L633 PolarHBondContact O-N 2.94Å; V631-N634 PolarHBondContact O-N 2.85Å; V631-N634 VanDerWaalsContact O-N 3.09Å; V631-M636 HydrophobicContact CG2-SD 3.78Å |
| 632 | T | 83.5 | Confident | 81.4 | Confident | 104 Ų | 104 | 58.5 Ų | 58.5 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.1 | -31.2 | 179.6 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | A628 V629 N634 | A628-T632 WeakPolarHBondContact O-CG2 3.44Å; A628-T632 PolarHBondContact O-N 3.21Å; A628-T632 PolarHBondContact O-OG1 3.32Å; V629-T632 VanDerWaalsContact CA-OG1 3.31Å; V629-T632 WeakPolarHBondContact CA-OG1 3.21Å; V629-T632 PolarHBondContact O-N 2.89Å; V629-T632 PolarHBondContact O-OG1 3.41Å; T632-N634 VanDerWaalsContact C-N 3.33Å |
| 633 | L | 86.5 | Confident | 81.1 | Confident | 47 Ų | 47 | 58.3 Ų | 58.3 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.6 | 177.3 | -62.5 | 179.1 | 0 | 0 | 0 | 113.3 | L594 D595 V598 V629 V631 R635 | L594-L633 HydrophobicContact CB-CD1 4.13Å; D595-L633 WeakPolarHBondContact OD1-CD1 3.44Å; D595-L633 WeakPolarHBondContact OD1-CD2 3.38Å; V598-L633 HydrophobicContact CB-CD1 4.29Å; V598-L633 HydrophobicContact CG2-CD1 3.59Å; V629-L633 HydrophobicContact CG1-CD1 4.1Å; V629-L633 WeakPolarHBondContact O-CG 3.41Å; V629-L633 PolarHBondContact O-N 3.4Å; V631-L633 VanDerWaalsContact C-N 3.28Å; V631-L633 PolarHBondContact O-N 2.94Å; L633-R635 VanDerWaalsContact C-N 3.25Å; L633-R635 HydrophobicContact CB-CG 4.48Å; L633-R635 PolarHBondContact O-N 2.93Å |
| 634 | N | 86.5 | Confident | 80 | Confident | 150 Ų | 150 | 63.8 Ų | 63.8 | 80% | 0.802 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.1 | -177.3 | -159.1 | 28.3 | 0 | 0 | 0 | 114.4 | F630 V631 T632 | F630-N634 PolarHBondContact O-N 3.45Å; V631-N634 PolarHBondContact O-N 2.85Å; V631-N634 VanDerWaalsContact O-N 3.09Å; T632-N634 VanDerWaalsContact C-N 3.33Å |
| 635 | R | 86.3 | Confident | 79 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | trans | -110.3 | 31.1 | -179.3 | -66.5 | 176.7 | 74.1 | 179.7 | 0.1 | 112.7 | V598 D599 F630 L633 A637 E638 W639 | V598-R635 VanDerWaalsContact CG1-CZ 3.45Å; D599-R635 IonicContact OD1-CZ 3.08Å; D599-R635 IonicContact OD1-NH1 3.78Å; D599-R635 PolarHBondContact OD1-NH1 2.91Å; D599-R635 IonicContact OD1-NH2 3.85Å; D599-R635 PolarHBondContact OD1-NH2 3.35Å; F630-R635 HydrophobicContact CD1-CB 4.29Å; F630-R635 PolarHBondContact O-N 3.46Å; L633-R635 VanDerWaalsContact C-N 3.25Å; L633-R635 HydrophobicContact CB-CG 4.48Å; L633-R635 PolarHBondContact O-N 2.93Å; R635-A637 VanDerWaalsContact C-N 3.31Å; R635-A637 PolarHBondContact O-N 3.45Å; R635-E638 IonicContact CZ-OE1 3.08Å; R635-E638 IonicContact CZ-OE2 2.81Å; R635-E638 VanDerWaalsContact NE-CD 3.27Å; R635-E638 IonicContact NE-OE1 2.96Å; R635-E638 PolarHBondContact NE-OE1 3.44Å; R635-E638 IonicContact NE-OE2 2.94Å; R635-E638 PolarHBondContact NE-OE2 2.77Å; R635-E638 IonicContact NH2-OE1 2.73Å; R635-E638 PolarHBondContact NH2-OE1 2.78Å; R635-E638 IonicContact NH2-OE2 3.7Å; R635-E638 PolarHBondContact NH2-OE2 3.39Å; R635-E638 PolarHBondContact O-N 3.26Å; R635-W639 PolarHBondContact O-N 3.15Å | ||
| 636 | M | 81.9 | Confident | 78 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -30 | -174.5 | -168.9 | 61.9 | -173.4 | 0 | 0 | 113.7 | R627 V631 E638 W639 L640 | R627-M636 HydrophobicContact CG-CE 4.29Å; V631-M636 HydrophobicContact CG2-SD 3.78Å; M636-E638 VanDerWaalsContact C-N 3.32Å; M636-E638 PolarHBondContact O-N 3.42Å; M636-W639 HydrophobicContact CE-CD2 3.97Å; M636-W639 HydrophobicContact CE-CE3 3.28Å; M636-W639 HydrophobicContact CE-CH2 4.35Å; M636-W639 HydrophobicContact CE-CZ3 3.52Å; M636-W639 WeakPolarHBondContact O-CB 3.4Å; M636-W639 PolarHBondContact O-N 3.03Å; M636-W639 HydrophobicContact SD-CB 4.29Å; M636-W639 HydrophobicContact SD-CD2 4.23Å; M636-W639 HydrophobicContact SD-CE3 4Å; M636-W639 HydrophobicContact SD-CG 4.37Å; M636-L640 PolarHBondContact O-N 3.37Å; M636-L640 VanDerWaalsContact O-N 3.16Å |
| 637 | A | 73.1 | Confident | 76.4 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 67% | 0.669 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.6 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R635 A641 | R635-A637 VanDerWaalsContact C-N 3.31Å; R635-A637 PolarHBondContact O-N 3.45Å; A637-A641 WeakPolarHBondContact O-CB 3.22Å; A637-A641 PolarHBondContact O-N 3.27Å; A637-A641 VanDerWaalsContact O-N 3.07Å |
| 638 | E | 78.7 | Confident | 74.5 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 177 | -61 | 175.2 | -151.6 | 0 | 0 | 111.2 | R635 M636 L640 A641 Y642 | R635-E638 IonicContact CZ-OE1 3.08Å; R635-E638 IonicContact CZ-OE2 2.81Å; R635-E638 VanDerWaalsContact NE-CD 3.27Å; R635-E638 IonicContact NE-OE1 2.96Å; R635-E638 PolarHBondContact NE-OE1 3.44Å; R635-E638 IonicContact NE-OE2 2.94Å; R635-E638 PolarHBondContact NE-OE2 2.77Å; R635-E638 IonicContact NH2-OE1 2.73Å; R635-E638 PolarHBondContact NH2-OE1 2.78Å; R635-E638 IonicContact NH2-OE2 3.7Å; R635-E638 PolarHBondContact NH2-OE2 3.39Å; R635-E638 PolarHBondContact O-N 3.26Å; M636-E638 VanDerWaalsContact C-N 3.32Å; M636-E638 PolarHBondContact O-N 3.42Å; E638-L640 VanDerWaalsContact C-N 3.32Å; E638-L640 PolarHBondContact O-N 3.46Å; E638-A641 PolarHBondContact O-N 3.13Å; E638-Y642 WeakPolarHBondContact O-CD2 3.48Å; E638-Y642 PolarHBondContact O-N 3.35Å |
| 639 | W | 85.2 | Confident | 72.9 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.9 | -50 | 175.3 | 177.3 | 87 | 0 | 0 | 0 | 111.6 | F623 R627 F630 R635 M636 A641 L643 | F623-W639 AromaticContact CD1-CD1 3.82Å; F623-W639 PolarHBondContact O-NE1 3.19Å; R627-W639 HydrophobicContact CB-CZ2 4.33Å; R627-W639 HydrophobicContact CG-CZ2 4.1Å; F630-W639 HydrophobicContact CB-CB 4.04Å; F630-W639 HydrophobicContact CB-CG 4.45Å; F630-W639 HydrophobicContact CD1-CB 3.69Å; F630-W639 HydrophobicContact CD1-CG 4.49Å; F630-W639 HydrophobicContact CD2-CB 4.31Å; F630-W639 AromaticContact CD2-CD1 3.57Å; F630-W639 HydrophobicContact CD2-CG 4.28Å; F630-W639 HydrophobicContact CE1-CB 4.12Å; F630-W639 AromaticContact CE2-CD1 3.81Å; F630-W639 HydrophobicContact CG-CB 3.78Å; F630-W639 AromaticContact CG-CD1 3.91Å; F630-W639 HydrophobicContact CG-CG 4.18Å; R635-W639 PolarHBondContact O-N 3.15Å; M636-W639 HydrophobicContact CE-CD2 3.97Å; M636-W639 HydrophobicContact CE-CE3 3.28Å; M636-W639 HydrophobicContact CE-CH2 4.35Å; M636-W639 HydrophobicContact CE-CZ3 3.52Å; M636-W639 WeakPolarHBondContact O-CB 3.4Å; M636-W639 PolarHBondContact O-N 3.03Å; M636-W639 HydrophobicContact SD-CB 4.29Å; M636-W639 HydrophobicContact SD-CD2 4.23Å; M636-W639 HydrophobicContact SD-CE3 4Å; M636-W639 HydrophobicContact SD-CG 4.37Å; W639-A641 PolarHBondContact O-N 2.94Å; W639-L643 HydrophobicContact CH2-CD2 3.62Å; W639-L643 HydrophobicContact CZ2-CD2 3.67Å; W639-L643 HydrophobicContact CZ3-CD2 4.17Å; W639-L643 WeakPolarHBondContact O-CB 3.48Å; W639-L643 PolarHBondContact O-N 3.04Å |
| 640 | L | 72.6 | Confident | 71.3 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 44% | 0.44 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | -179.1 | -169.6 | 73.9 | 0 | 0 | 0 | 111.2 | M636 E638 R644 | M636-L640 PolarHBondContact O-N 3.37Å; M636-L640 VanDerWaalsContact O-N 3.16Å; E638-L640 VanDerWaalsContact C-N 3.32Å; E638-L640 PolarHBondContact O-N 3.46Å; L640-R644 WeakPolarHBondContact O-CB 3.44Å; L640-R644 WeakPolarHBondContact O-CG 3.39Å; L640-R644 PolarHBondContact O-N 3.29Å; L640-R644 VanDerWaalsContact O-N 3.13Å |
| 641 | A | 68.4 | Low | 69.4 | Low | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A637 E638 W639 F645 L738 V744 | A637-A641 WeakPolarHBondContact O-CB 3.22Å; A637-A641 PolarHBondContact O-N 3.27Å; A637-A641 VanDerWaalsContact O-N 3.07Å; E638-A641 PolarHBondContact O-N 3.13Å; W639-A641 PolarHBondContact O-N 2.94Å; A641-F645 VanDerWaalsContact O-CB 3.24Å; A641-F645 WeakPolarHBondContact O-CB 3.44Å; A641-F645 PolarHBondContact O-N 3.41Å; A641-L738 HydrophobicContact CB-CD1 4.22Å; A641-L738 HydrophobicContact CB-CD2 4.4Å; A641-V744 HydrophobicContact CB-CG2 4.08Å |
| 642 | Y | 73 | Confident | 67.6 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.7 | -37.6 | -179.9 | -85.6 | -86.8 | 0 | 0 | 0 | 112.6 | I602 L604 L607 E638 F645 I646 V744 Q747 | I602-Y642 HydrophobicContact CB-CD2 4Å; I602-Y642 HydrophobicContact CB-CE1 4.25Å; I602-Y642 HydrophobicContact CB-CE2 3.61Å; I602-Y642 HydrophobicContact CB-CG 4.47Å; I602-Y642 HydrophobicContact CG2-CD2 3.67Å; I602-Y642 HydrophobicContact CG2-CE2 3.77Å; I602-Y642 HydrophobicContact CG2-CG 4.21Å; I602-Y642 WeakPolarHBondContact O-CE1 3.33Å; I602-Y642 VanDerWaalsContact O-CZ 3.26Å; I602-Y642 PolarHBondContact O-OH 3.2Å; I602-Y642 VanDerWaalsContact O-OH 3.05Å; L604-Y642 HydrophobicContact CD2-CE1 3.89Å; L604-Y642 HydrophobicContact CG-CE1 4.18Å; L607-Y642 HydrophobicContact CD1-CD1 3.89Å; L607-Y642 HydrophobicContact CD1-CE1 4.23Å; E638-Y642 WeakPolarHBondContact O-CD2 3.48Å; E638-Y642 PolarHBondContact O-N 3.35Å; Y642-F645 PolarHBondContact O-N 2.84Å; Y642-I646 WeakPolarHBondContact O-CD1 2.92Å; Y642-I646 VanDerWaalsContact O-CG1 3.24Å; Y642-I646 WeakPolarHBondContact O-CG1 3.3Å; Y642-I646 PolarHBondContact O-N 2.78Å; Y642-V744 HydrophobicContact CD1-CG2 4.19Å; Y642-V744 HydrophobicContact CD2-CG2 3.51Å; Y642-V744 HydrophobicContact CE1-CG2 3.98Å; Y642-V744 HydrophobicContact CE2-CG2 3.27Å; Y642-V744 HydrophobicContact CG-CG2 3.96Å; Y642-Q747 PolarHBondContact OH-OE1 2.96Å |
| 643 | L | 73.3 | Confident | 66.1 | Low | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | 176.1 | -179 | 66.2 | 0 | 0 | 0 | 111 | I620 F623 W639 F645 I646 Q647 | I620-L643 HydrophobicContact CG2-CD1 4.09Å; F623-L643 HydrophobicContact CB-CD1 4.12Å; W639-L643 HydrophobicContact CH2-CD2 3.62Å; W639-L643 HydrophobicContact CZ2-CD2 3.67Å; W639-L643 HydrophobicContact CZ3-CD2 4.17Å; W639-L643 WeakPolarHBondContact O-CB 3.48Å; W639-L643 PolarHBondContact O-N 3.04Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 3.25Å; L643-I646 PolarHBondContact O-N 3.48Å; L643-Q647 HydrophobicContact CD1-CG 4.48Å; L643-Q647 WeakPolarHBondContact O-CB 3.03Å; L643-Q647 WeakPolarHBondContact O-CG 3.3Å; L643-Q647 PolarHBondContact O-N 3.36Å |
| 644 | R | 57.1 | Low | 64.4 | Low | 114 Ų | 114 | 53.3 Ų | 53.3 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -42 | 175.5 | -76.2 | -179.6 | 169.3 | -144.1 | -11.9 | 111.7 | L640 I646 Q647 T648 D1032 | L640-R644 WeakPolarHBondContact O-CB 3.44Å; L640-R644 WeakPolarHBondContact O-CG 3.39Å; L640-R644 PolarHBondContact O-N 3.29Å; L640-R644 VanDerWaalsContact O-N 3.13Å; R644-I646 PolarHBondContact O-N 2.84Å; R644-Q647 PolarHBondContact O-N 3.49Å; R644-T648 WeakPolarHBondContact O-CG2 3.35Å; R644-T648 PolarHBondContact O-N 2.82Å; R644-T648 VanDerWaalsContact O-N 3.16Å; R644-T648 PolarHBondContact O-OG1 3.36Å; R644-D1032 IonicContact CZ-OD2 3.43Å; R644-D1032 IonicContact NH1-OD2 2.7Å; R644-D1032 PolarHBondContact NH1-OD2 2.73Å; R644-D1032 IonicContact NH2-OD2 3.66Å; R644-D1032 PolarHBondContact NH2-OD2 3.12Å |
| 645 | F | 57.8 | Low | 62.3 | Low | 30 Ų | 30 | 49.3 Ų | 49.3 | 13% | 0.132 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 177.4 | 177.4 | -103.3 | 0 | 0 | 0 | 112.1 | L604 A641 Y642 L643 T648 N649 I653 V744 | L604-F645 HydrophobicContact CD2-CD1 4.17Å; L604-F645 HydrophobicContact CD2-CE1 3.46Å; L604-F645 VanDerWaalsContact CD2-CE1 3.46Å; L604-F645 HydrophobicContact CD2-CZ 4.23Å; A641-F645 VanDerWaalsContact O-CB 3.24Å; A641-F645 WeakPolarHBondContact O-CB 3.44Å; A641-F645 PolarHBondContact O-N 3.41Å; Y642-F645 PolarHBondContact O-N 2.84Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 3.25Å; F645-T648 PolarHBondContact O-OG1 2.74Å; F645-N649 HydrophobicContact CD2-CB 4.44Å; F645-N649 VanDerWaalsContact CD2-ND2 3.33Å; F645-N649 WeakPolarHBondContact CD2-ND2 3.33Å; F645-N649 HydrophobicContact CE2-CB 4.21Å; F645-N649 HydrophobicContact CZ-CB 4.44Å; F645-N649 VanDerWaalsContact O-CB 3.23Å; F645-N649 WeakPolarHBondContact O-CB 3.09Å; F645-N649 PolarHBondContact O-N 2.81Å; F645-N649 PolarHBondContact O-ND2 2.84Å; F645-I653 HydrophobicContact CD1-CD1 4.09Å; F645-I653 HydrophobicContact CE1-CD1 3.33Å; F645-I653 HydrophobicContact CE1-CG1 4.18Å; F645-I653 HydrophobicContact CZ-CD1 3.78Å; F645-I653 HydrophobicContact CZ-CG1 4.19Å; F645-V744 HydrophobicContact CB-CG1 4.16Å; F645-V744 HydrophobicContact CD1-CG1 4.36Å; F645-V744 HydrophobicContact CD2-CG1 3.72Å; F645-V744 HydrophobicContact CE2-CG1 4.2Å; F645-V744 HydrophobicContact CG-CG1 3.82Å |
| 646 | I | 62.2 | Low | 59.9 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -45.7 | 179.4 | -67.4 | 161.6 | 0 | 0 | 0 | 111.3 | L607 L611 V619 I620 F623 Y642 L643 R644 T648 N649 A650 | L607-I646 HydrophobicContact CD1-CD1 4.03Å; L607-I646 HydrophobicContact CD1-CG1 4.49Å; L607-I646 HydrophobicContact CD2-CD1 3.99Å; L611-I646 HydrophobicContact CD2-CG2 4.32Å; V619-I646 HydrophobicContact CG1-CD1 3.94Å; I620-I646 HydrophobicContact CG1-CG2 4.24Å; F623-I646 HydrophobicContact CD2-CD1 3.95Å; F623-I646 HydrophobicContact CE2-CD1 3.35Å; F623-I646 HydrophobicContact CZ-CD1 3.87Å; Y642-I646 WeakPolarHBondContact O-CD1 2.92Å; Y642-I646 VanDerWaalsContact O-CG1 3.24Å; Y642-I646 WeakPolarHBondContact O-CG1 3.3Å; Y642-I646 PolarHBondContact O-N 2.78Å; L643-I646 PolarHBondContact O-N 3.48Å; R644-I646 PolarHBondContact O-N 2.84Å; I646-T648 PolarHBondContact O-N 2.93Å; I646-N649 PolarHBondContact O-N 3.28Å; I646-A650 VanDerWaalsContact O-CB 3.3Å; I646-A650 WeakPolarHBondContact O-CB 3.27Å; I646-A650 PolarHBondContact O-N 3.4Å; I646-A650 VanDerWaalsContact O-N 3.11Å |
| 647 | Q | 55.3 | Low | 57.7 | Low | 55 Ų | 55 | 50.9 Ų | 50.9 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -28.6 | -178.5 | -74.1 | 175.6 | -39.3 | 0 | 0 | 112.8 | I620 L643 R644 L1030 | I620-Q647 HydrophobicContact CD1-CG 3.93Å; I620-Q647 HydrophobicContact CG1-CG 4.37Å; L643-Q647 HydrophobicContact CD1-CG 4.48Å; L643-Q647 WeakPolarHBondContact O-CB 3.03Å; L643-Q647 WeakPolarHBondContact O-CG 3.3Å; L643-Q647 PolarHBondContact O-N 3.36Å; R644-Q647 PolarHBondContact O-N 3.49Å; Q647-L1030 HydrophobicContact CB-CD1 3.26Å; Q647-L1030 HydrophobicContact CB-CG 3.87Å; Q647-L1030 HydrophobicContact CG-CD1 4.2Å; Q647-L1030 VanDerWaalsContact OE1-CD1 3.31Å |
| 648 | T | 46.6 | Very low | 55.6 | Low | 64 Ų | 64 | 52.8 Ų | 52.8 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -92.9 | -36.2 | 178.2 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | R644 F645 I646 L1030 | R644-T648 WeakPolarHBondContact O-CG2 3.35Å; R644-T648 PolarHBondContact O-N 2.82Å; R644-T648 VanDerWaalsContact O-N 3.16Å; R644-T648 PolarHBondContact O-OG1 3.36Å; F645-T648 PolarHBondContact O-OG1 2.74Å; I646-T648 PolarHBondContact O-N 2.93Å; T648-L1030 HydrophobicContact CG2-CD1 3.83Å |
| 649 | N | 48 | Very low | 53.1 | Low | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -115 | 2.8 | -165.5 | -62.1 | -62.9 | 0 | 0 | 0 | 116.2 | F645 I646 Y651 Y652 I653 L734 | F645-N649 HydrophobicContact CD2-CB 4.44Å; F645-N649 VanDerWaalsContact CD2-ND2 3.33Å; F645-N649 WeakPolarHBondContact CD2-ND2 3.33Å; F645-N649 HydrophobicContact CE2-CB 4.21Å; F645-N649 HydrophobicContact CZ-CB 4.44Å; F645-N649 VanDerWaalsContact O-CB 3.23Å; F645-N649 WeakPolarHBondContact O-CB 3.09Å; F645-N649 PolarHBondContact O-N 2.81Å; F645-N649 PolarHBondContact O-ND2 2.84Å; I646-N649 PolarHBondContact O-N 3.28Å; N649-Y651 PolarHBondContact O-N 2.99Å; N649-Y652 PolarHBondContact O-N 2.9Å; N649-I653 HydrophobicContact CB-CD1 4.21Å; N649-I653 HydrophobicContact CB-CG1 4.46Å; N649-I653 WeakPolarHBondContact O-CG1 3.18Å; N649-I653 PolarHBondContact O-N 3Å; N649-L734 WeakPolarHBondContact OD1-CD1 3.22Å |
| 650 | A | 51.2 | Low | 50.1 | Low | 11 Ų | 11 | 62.8 Ų | 62.8 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -49.8 | -40.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L611 T616 I646 I653 I654 | L611-A650 HydrophobicContact CD1-CB 4.32Å; L611-A650 HydrophobicContact CD2-CB 4.24Å; T616-A650 HydrophobicContact CG2-CB 3.18Å; I646-A650 VanDerWaalsContact O-CB 3.3Å; I646-A650 WeakPolarHBondContact O-CB 3.27Å; I646-A650 PolarHBondContact O-N 3.4Å; I646-A650 VanDerWaalsContact O-N 3.11Å; A650-I653 PolarHBondContact O-N 3.02Å; A650-I654 WeakPolarHBondContact O-CD1 3.35Å; A650-I654 VanDerWaalsContact O-CG1 3.25Å; A650-I654 WeakPolarHBondContact O-CG1 3.39Å; A650-I654 PolarHBondContact O-N 3.04Å |
| 651 | Y | 46.3 | Very low | 47.7 | Very low | 166 Ų | 166 | 66.9 Ų | 66.9 | 65% | 0.651 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.1 | -43.4 | -179.3 | -169.2 | -97.4 | 0 | 0 | 0 | 112.8 | N649 I653 I654 D655 | N649-Y651 PolarHBondContact O-N 2.99Å; Y651-I653 VanDerWaalsContact C-N 3.26Å; Y651-I653 PolarHBondContact O-N 2.94Å; Y651-I654 PolarHBondContact O-N 3.13Å; Y651-I654 VanDerWaalsContact O-N 3.15Å; Y651-D655 PolarHBondContact O-N 3.03Å |
| 652 | Y | 45.2 | Very low | 45.5 | Very low | 92 Ų | 92 | 71.9 Ų | 71.9 | 36% | 0.361 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 179.4 | -61.8 | -68.4 | 0 | 0 | 0 | 112.8 | N649 D730 L731 | N649-Y652 PolarHBondContact O-N 2.9Å; Y652-D730 HydrophobicContact CE1-CB 4.5Å; Y652-L731 HydrophobicContact CG-CD2 4.38Å |
| 653 | I | 52.5 | Low | 43.1 | Very low | 24 Ų | 24 | 81 Ų | 81 | 12% | 0.123 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 176.7 | -61.1 | 164.8 | 0 | 0 | 0 | 110.5 | R608 L611 F645 N649 A650 Y651 | R608-I653 HydrophobicContact CB-CG2 3.67Å; R608-I653 WeakPolarHBondContact CD-O 3.3Å; R608-I653 HydrophobicContact CG-CG2 3.83Å; R608-I653 WeakPolarHBondContact CG-O 3.49Å; R608-I653 PolarHBondContact NE-O 3.32Å; L611-I653 HydrophobicContact CD1-CB 4.32Å; L611-I653 HydrophobicContact CD1-CD1 4.16Å; L611-I653 HydrophobicContact CD1-CG2 4.14Å; F645-I653 HydrophobicContact CD1-CD1 4.09Å; F645-I653 HydrophobicContact CE1-CD1 3.33Å; F645-I653 HydrophobicContact CE1-CG1 4.18Å; F645-I653 HydrophobicContact CZ-CD1 3.78Å; F645-I653 HydrophobicContact CZ-CG1 4.19Å; N649-I653 HydrophobicContact CB-CD1 4.21Å; N649-I653 HydrophobicContact CB-CG1 4.46Å; N649-I653 WeakPolarHBondContact O-CG1 3.18Å; N649-I653 PolarHBondContact O-N 3Å; A650-I653 PolarHBondContact O-N 3.02Å; Y651-I653 VanDerWaalsContact C-N 3.26Å; Y651-I653 PolarHBondContact O-N 2.94Å |
| 654 | I | 51 | Low | 40.7 | Very low | 48 Ų | 48 | 92.1 Ų | 92.1 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.3 | -51.8 | -175.5 | -67.1 | 162.4 | 0 | 0 | 0 | 111.6 | L611 K612 A650 Y651 | L611-I654 HydrophobicContact CB-CD1 4.14Å; L611-I654 HydrophobicContact CB-CG1 3.83Å; K612-I654 HydrophobicContact CB-CG2 4.31Å; K612-I654 HydrophobicContact CG-CG2 4.39Å; A650-I654 WeakPolarHBondContact O-CD1 3.35Å; A650-I654 VanDerWaalsContact O-CG1 3.25Å; A650-I654 WeakPolarHBondContact O-CG1 3.39Å; A650-I654 PolarHBondContact O-N 3.04Å; Y651-I654 PolarHBondContact O-N 3.13Å; Y651-I654 VanDerWaalsContact O-N 3.15Å |
| 655 | D | 42.6 | Very low | 38.9 | Very low | 67 Ų | 67 | 91 Ų | 91 | 36% | 0.358 | 46% | 0.462 | S | S | . | . | trans | -146.3 | 103.9 | 179.1 | -158.6 | -23.5 | 0 | 0 | 0 | 113.9 | Y651 T657 | Y651-D655 PolarHBondContact O-N 3.03Å; D655-T657 VanDerWaalsContact C-N 3.33Å; D655-T657 PolarHBondContact O-N 3.5Å; D655-T657 PolarHBondContact OD1-N 3.49Å; D655-T657 PolarHBondContact OD1-OG1 3.44Å | ||
| 656 | P | 36.6 | Very low | 37.2 | Very low | 44 Ų | 44 | 100.5 Ų | 100.5 | 29% | 0.286 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -90.3 | 11.7 | -174.3 | 38.1 | -38.4 | 0 | 0 | 0 | 113.6 | R755 | P656-R755 PolarHBondContact O-NH1 3.27Å; P656-R755 PolarHBondContact O-NH2 3.24Å |
| 657 | T | 34.4 | Very low | 35.3 | Very low | 99 Ų | 99 | 105.2 Ų | 105.2 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | trans | -105.8 | -14.3 | -171.3 | 59.8 | 0 | 0 | 0 | 0 | 116.2 | D655 V659 | D655-T657 VanDerWaalsContact C-N 3.33Å; D655-T657 PolarHBondContact O-N 3.5Å; D655-T657 PolarHBondContact OD1-N 3.49Å; D655-T657 PolarHBondContact OD1-OG1 3.44Å; T657-V659 PolarHBondContact O-N 2.89Å; T657-V659 VanDerWaalsContact O-N 3.14Å | ||
| 658 | I | 30.2 | Very low | 33.8 | Very low | 120 Ų | 120 | 106.9 Ų | 106.9 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | trans | -86.7 | 86.7 | -176.1 | -56.3 | 169.8 | 0 | 0 | 0 | 109.8 | ||||
| 659 | V | 25.4 | Very low | 32.6 | Very low | 97 Ų | 97 | 105.2 Ų | 105.2 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | trans | -132.3 | 72.7 | 169.4 | -171.5 | 0 | 0 | 0 | 0 | 109 | T657 P726 | T657-V659 PolarHBondContact O-N 2.89Å; T657-V659 VanDerWaalsContact O-N 3.14Å; V659-P726 HydrophobicContact CG1-CB 4.11Å | ||
| 660 | Q | 23.1 | Very low | 31.4 | Very low | 179 Ų | 179 | 111.6 Ų | 111.6 | 84% | 0.836 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -139.6 | 144.6 | 165.4 | -106 | -177.3 | -0.8 | 0 | 0 | 109.5 | C662 | Q660-C662 PolarHBondContact O-N 3.26Š|
| 661 | D | 22.4 | Very low | 30.1 | Very low | 169 Ų | 169 | 113.3 Ų | 113.3 | 90% | 0.904 | 58% | 0.584 | S | S | * | * | trans | -51.6 | 102.1 | -168.5 | -62.6 | -46.4 | 0 | 0 | 0 | 113.9 | ||||
| 662 | C | 21.9 | Very low | 29.1 | Very low | 111 Ų | 111 | 110.1 Ų | 110.1 | 75% | 0.75 | 59% | 0.586 | S | S | * | * | trans | -105.3 | 108.9 | 157.4 | -84.8 | 0 | 0 | 0 | 0 | 108.5 | Q660 R664 | Q660-C662 PolarHBondContact O-N 3.26Å; C662-R664 PolarHBondContact O-N 3.02Å | ||
| 663 | E | 22.3 | Very low | 28 | Very low | 191 Ų | 191 | 115.7 Ų | 115.7 | 89% | 0.893 | 61% | 0.606 | S | S | * | * | trans | -54.4 | 104 | 169 | -69.1 | -178.5 | 155.8 | 0 | 0 | 110.2 | S665 | E663-S665 VanDerWaalsContact C-N 3.25Å; E663-S665 PolarHBondContact O-N 3.4Å | ||
| 664 | R | 21.9 | Very low | 26.6 | Very low | 247 Ų | 247 | 124.1 Ų | 124.1 | 93% | 0.932 | 64% | 0.637 | S | S | * | * | trans | 30.7 | 51.5 | 157.3 | -91 | -176.9 | 172.3 | 178.7 | -1.7 | 115.5 | C662 R666 | C662-R664 PolarHBondContact O-N 3.02Å; R664-R666 PolarHBondContact O-N 3.09Å; R664-R666 VanDerWaalsContact O-N 3.11Å | ||
| 665 | S | 21 | Very low | 25.2 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | trans | -75.5 | 103.2 | 158.7 | 56.4 | 0 | 0 | 0 | 0 | 106.5 | E663 S667 | E663-S665 VanDerWaalsContact C-N 3.25Å; E663-S665 PolarHBondContact O-N 3.4Å; S665-S667 PolarHBondContact O-N 2.78Å | ||
| 666 | R | 22 | Very low | 24.2 | Very low | 228 Ų | 228 | 129.1 Ų | 129.1 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -26 | 133.2 | 160.8 | -64.7 | 173.2 | 177.6 | -177.1 | -2.1 | 109.7 | R664 | R664-R666 PolarHBondContact O-N 3.09Å; R664-R666 VanDerWaalsContact O-N 3.11Å | ||
| 667 | S | 22.2 | Very low | 23.6 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -38.8 | 118.7 | -178.2 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | S665 C669 | S665-S667 PolarHBondContact O-N 2.78Å; S667-C669 VanDerWaalsContact C-N 3.31Å; S667-C669 PolarHBondContact O-N 3.08Å | ||
| 668 | P | 23.5 | Very low | 23 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -59.1 | 113.4 | 157 | 28.9 | -26.8 | 0 | 0 | 0 | 100.6 | P1025 | P668-P1025 VanDerWaalsContact O-CD 3.27Å; P668-P1025 WeakPolarHBondContact O-CD 3.46Å; P668-P1025 VanDerWaalsContact O-CG 3.27Å; P668-P1025 WeakPolarHBondContact O-CG 3.31Å |
| 669 | C | 22.3 | Very low | 22.7 | Very low | 28 Ų | 28 | 134.2 Ų | 134.2 | 19% | 0.189 | 72% | 0.72 | C | S | . | * | cis | -158.7 | 133.3 | 49.6 | -57.3 | 0 | 0 | 0 | 0 | 115 | S667 D1023 V1024 P1025 | S667-C669 VanDerWaalsContact C-N 3.31Å; S667-C669 PolarHBondContact O-N 3.08Å; C669-D1023 WeakPolarHBondContact CB-O 3.44Å; C669-D1023 WeakPolarHBondContact SG-CA 3.27Å; C669-D1023 WeakPolarHBondContact SG-CB 3Å; C669-D1023 PolarHBondContact SG-O 2.81Å; C669-V1024 HydrophobicContact CB-CB 4.24Å; C669-V1024 HydrophobicContact CB-CG2 4.16Å; C669-V1024 WeakPolarHBondContact SG-CA 3.46Å; C669-V1024 PolarHBondContact SG-N 2.71Å; C669-P1025 VanDerWaalsContact CB-CD 3.45Å; C669-P1025 WeakPolarHBondContact SG-CD 3.31Å | ||
| 670 | Q | 22.8 | Very low | 22.5 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 65% | 0.654 | 74% | 0.738 | S | S | * | * | trans | -109.6 | 127.1 | 154.2 | -74.3 | -177.5 | -25 | 0 | 0 | 107.4 | M1883 | Q670-M1883 VanDerWaalsContact NE2-CE 3.34Š| ||
| 671 | G | 23.4 | Very low | 22.5 | Very low | 46 Ų | 46 | 135.8 Ų | 135.8 | 47% | 0.474 | 73% | 0.73 | S | S | . | * | trans | 173.5 | 35.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 672 | S | 24.5 | Very low | 22.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | 51.4 | 116.4 | 151 | -165.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 673 | R | 22.4 | Very low | 22.5 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 79% | 0.789 | 72% | 0.721 | S | S | * | * | -178.2 | 115.3 | 118.9 | -98 | 177.3 | -170.2 | -155.1 | 4.9 | 111.2 | |||||
| 674 | R | 22.7 | Very low | 22.6 | Very low | 202 Ų | 202 | 131.1 Ų | 131.1 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | 80.4 | 109.1 | 116.3 | -79.7 | -173.6 | -178.3 | -169.9 | 0.2 | 115.6 | |||||
| 675 | S | 22 | Very low | 22.6 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | 97.4 | 130.8 | 71.8 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 676 | S | 22.3 | Very low | 22.6 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | trans | 68.9 | 95.5 | 173.2 | 63.5 | 0 | 0 | 0 | 0 | 118.6 | A678 | S676-A678 PolarHBondContact O-N 3.08Š| ||
| 677 | V | 22.4 | Very low | 22.6 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 90% | 0.903 | 71% | 0.709 | S | S | * | * | trans | -72.1 | 106.9 | 160.7 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 678 | A | 22 | Very low | 22.5 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | trans | -134.4 | 115.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | S676 | S676-A678 PolarHBondContact O-N 3.08Š| ||
| 679 | N | 23.6 | Very low | 22.6 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | 59.3 | 110.6 | 167.7 | -63.1 | -8.1 | 0 | 0 | 0 | 118.7 | D681 | N679-D681 PolarHBondContact O-N 3.09Š| ||
| 680 | L | 22.2 | Very low | 22.5 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 96% | 0.958 | 74% | 0.741 | S | S | * | * | trans | -59.7 | 69.6 | 152.9 | -81.3 | 137.6 | 0 | 0 | 0 | 109.5 | ||||
| 681 | D | 22.2 | Very low | 22.5 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | -91.5 | 122.4 | 162.4 | -83.7 | -32.2 | 0 | 0 | 0 | 108.4 | N679 S683 | N679-D681 PolarHBondContact O-N 3.09Å; D681-S683 PolarHBondContact O-N 3.03Å | ||
| 682 | L | 24.6 | Very low | 22.5 | Very low | 189 Ų | 189 | 142 Ų | 142 | 99% | 0.99 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -65.3 | 57 | -172 | -73.3 | 154.2 | 0 | 0 | 0 | 113.6 | ||
| 683 | S | 20.7 | Very low | 22.4 | Very low | 67 Ų | 67 | 142.6 Ų | 142.6 | 47% | 0.469 | 75% | 0.754 | S | S | . | * | S | Bend | trans | -131.4 | 134.5 | 167.7 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | D681 | D681-S683 PolarHBondContact O-N 3.03Š|
| 684 | P | 23.4 | Very low | 22.3 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | trans | -70.4 | 135.4 | -170.9 | -9.3 | 25.2 | 0 | 0 | 0 | 111.1 | N686 | P684-N686 PolarHBondContact O-N 2.77Š| ||
| 685 | P | 21.8 | Very low | 22.3 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 125.5 | -175.1 | 26.9 | -32.7 | 0 | 0 | 0 | 112.1 | F687 | P685-F687 HydrophobicContact CG-CE2 4.28Å; P685-F687 WeakPolarHBondContact O-CD2 3.38Å; P685-F687 PolarHBondContact O-N 3.41Å | ||
| 686 | N | 21.9 | Very low | 22.4 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | trans | -65.7 | 96.9 | 176.5 | -81.3 | -30 | 0 | 0 | 0 | 111.8 | P684 R688 | P684-N686 PolarHBondContact O-N 2.77Å; N686-R688 PolarHBondContact O-N 3.46Å | ||
| 687 | F | 22.7 | Very low | 22.3 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -74.2 | 107.4 | 172.5 | -87.1 | -89.7 | 0 | 0 | 0 | 111.3 | P685 | P685-F687 HydrophobicContact CG-CE2 4.28Å; P685-F687 WeakPolarHBondContact O-CD2 3.38Å; P685-F687 PolarHBondContact O-N 3.41Å | ||
| 688 | R | 20.3 | Very low | 22.3 | Very low | 243 Ų | 243 | 138.6 Ų | 138.6 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | trans | -78.5 | 127.3 | 161.4 | -83.9 | -173.3 | 177 | 171.4 | 0.8 | 109.9 | N686 D690 | N686-R688 PolarHBondContact O-N 3.46Å; R688-D690 PolarHBondContact O-N 2.87Å | ||
| 689 | P | 23.9 | Very low | 22.3 | Very low | 67 Ų | 67 | 139 Ų | 139 | 44% | 0.435 | 75% | 0.75 | S | S | . | * | trans | -93.6 | 91 | -172.2 | 34.9 | -31.6 | 0 | 0 | 0 | 112 | ||||
| 690 | D | 21.1 | Very low | 22.2 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -88.5 | 150.8 | 160.4 | -91.3 | -27.2 | 0 | 0 | 0 | 111.7 | R688 | R688-D690 PolarHBondContact O-N 2.87Š| ||
| 691 | S | 23.5 | Very low | 22 | Very low | 73 Ų | 73 | 146 Ų | 146 | 51% | 0.51 | 75% | 0.753 | S | S | . | * | trans | -76.3 | 156.3 | -155.3 | 59 | 0 | 0 | 0 | 0 | 118 | ||||
| 692 | R | 21.6 | Very low | 21.9 | Very low | 221 Ų | 221 | 146.5 Ų | 146.5 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | 93.6 | 98.9 | 156.9 | -56.7 | -176.5 | -172.2 | -176.5 | 1.7 | 119 | ||||
| 693 | C | 22.2 | Very low | 21.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -144.3 | 126.5 | 138.3 | -76.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 694 | I | 20.8 | Very low | 21.8 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -102.3 | 142.7 | -173.5 | -69 | 166.2 | 0 | 0 | 0 | 109.4 | ||||
| 695 | S | 23.7 | Very low | 21.6 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -107.1 | 158.8 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 696 | P | 23.7 | Very low | 21.5 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | trans | -88.9 | 137.7 | -169.4 | 7.2 | 11.9 | 0 | 0 | 0 | 113.2 | ||||
| 697 | V | 20.1 | Very low | 21.4 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -85.1 | 119.1 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 698 | E | 22.4 | Very low | 21.3 | Very low | 200 Ų | 200 | 154.3 Ų | 154.3 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | trans | -134.9 | 120.7 | 152.6 | -79.6 | -165.4 | 162.2 | 0 | 0 | 111.3 | ||||
| 699 | S | 22.3 | Very low | 21.2 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -127.1 | 136.7 | 172.2 | 58.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 700 | R | 20.9 | Very low | 21.1 | Very low | 234 Ų | 234 | 155.1 Ų | 155.1 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 154.4 | 104.9 | 147.6 | -86.4 | 169.6 | -170.5 | -146.7 | 4.7 | 109.1 | ||||
| 701 | R | 19.2 | Very low | 21.1 | Very low | 232 Ų | 232 | 155.3 Ų | 155.3 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | 70.3 | 100.8 | 88.1 | -80.6 | -172.4 | 176.7 | 166.5 | 0.6 | 115 | |||||
| 702 | N | 20.3 | Very low | 21.1 | Very low | 139 Ų | 139 | 156.9 Ų | 156.9 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | 69.2 | 118.3 | 123 | -74.7 | -1.9 | 0 | 0 | 0 | 123.6 | |||||
| 703 | L | 19.9 | Very low | 21 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | 87.2 | 116.1 | 125.6 | -62.4 | 166.5 | 0 | 0 | 0 | 122.1 | |||||
| 704 | F | 21.6 | Very low | 21 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 20.7 | 127 | 138.3 | -65 | -87.8 | 0 | 0 | 0 | 122.6 | ||||
| 705 | S | 19.7 | Very low | 21.1 | Very low | 115 Ų | 115 | 156.4 Ų | 156.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 170.1 | 110.4 | 127.8 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 706 | R | 18.9 | Very low | 21 | Very low | 233 Ų | 233 | 157.3 Ų | 157.3 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | 55.1 | 100.4 | 84.4 | -136.1 | -174.1 | -164.8 | 174.3 | 3.4 | 115 | |||||
| 707 | N | 21 | Very low | 20.8 | Very low | 152 Ų | 152 | 158.3 Ų | 158.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | 178.5 | 146.2 | 115 | -90.2 | -23 | 0 | 0 | 0 | 115.7 | |||||
| 708 | I | 19.9 | Very low | 20.9 | Very low | 153 Ų | 153 | 164.2 Ų | 164.2 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 150.6 | -173.1 | -67.6 | 152.8 | 0 | 0 | 0 | 111.4 | ||||
| 709 | R | 19.5 | Very low | 20.8 | Very low | 233 Ų | 233 | 159.8 Ų | 159.8 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | 150.3 | 113.4 | 143.6 | -86.6 | 173.7 | -173.2 | -168.2 | 1.6 | 109.5 | ||||
| 710 | S | 20.8 | Very low | 20.8 | Very low | 94 Ų | 94 | 160.2 Ų | 160.2 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | 113.9 | 122.4 | 53.4 | 60.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 711 | N | 22 | Very low | 20.8 | Very low | 153 Ų | 153 | 158.2 Ų | 158.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 107.5 | 132 | 145 | -66 | -3.1 | 0 | 0 | 0 | 122.9 | ||||
| 712 | S | 21.8 | Very low | 21 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | 65 | 95.1 | 165.7 | 57.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 713 | I | 21.4 | Very low | 21.1 | Very low | 148 Ų | 148 | 153.6 Ų | 153.6 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | 53 | 90.2 | 69 | -50.7 | 174.4 | 0 | 0 | 0 | 111.9 | I715 | I713-I715 HydrophobicContact CG2-CG1 4.48Š| |||
| 714 | N | 22.1 | Very low | 21.2 | Very low | 163 Ų | 163 | 152 Ų | 152 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -141.1 | 123.9 | 145.5 | -97.3 | -21.9 | 0 | 0 | 0 | 107.2 | P716 | N714-P716 WeakPolarHBondContact O-CD 3.49Š| ||
| 715 | I | 21.5 | Very low | 21.4 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -88.5 | 122.9 | -172 | -64.6 | 158.6 | 0 | 0 | 0 | 107.7 | I713 | I713-I715 HydrophobicContact CG2-CG1 4.48Š| ||
| 716 | P | 21.4 | Very low | 21.6 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -126.6 | 115.7 | 159.2 | 30.2 | -12.1 | 0 | 0 | 0 | 111.5 | N714 | N714-P716 WeakPolarHBondContact O-CD 3.49Š| ||
| 717 | D | 21.1 | Very low | 22 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 37.1 | 98 | 142.8 | -62.7 | -29.8 | 0 | 0 | 0 | 120.4 | S719 | D717-S719 PolarHBondContact O-N 3.25Š| ||
| 718 | R | 21.7 | Very low | 22.1 | Very low | 250 Ų | 250 | 141.2 Ų | 141.2 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | trans | -5.7 | 98.5 | 137.6 | -74.1 | 176.1 | 168.9 | -179.7 | -2.9 | 116.7 | ||||
| 719 | S | 20.9 | Very low | 22.5 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | -174.8 | 94.8 | 128.8 | 57 | 0 | 0 | 0 | 0 | 109.9 | D717 | D717-S719 PolarHBondContact O-N 3.25Š| |||
| 720 | S | 20.8 | Very low | 23 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 138.8 | 132.2 | 156.6 | 63.1 | 0 | 0 | 0 | 0 | 113 | ||
| 721 | Y | 21.7 | Very low | 23.3 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | 78.8 | 93 | 168.3 | -55.7 | -77.2 | 0 | 0 | 0 | 118.9 | T723 | Y721-T723 HydrophobicContact CD1-CG2 4.27Š| ||
| 722 | N | 22.4 | Very low | 23.5 | Very low | 177 Ų | 177 | 129 Ų | 129 | 95% | 0.947 | 71% | 0.711 | S | S | * | * | trans | -96.8 | 79.2 | 143.1 | -95 | -12.1 | 0 | 0 | 0 | 109.1 | ||||
| 723 | T | 22.3 | Very low | 23.8 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | -73.2 | 151.3 | 151.7 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | Y721 | Y721-T723 HydrophobicContact CD1-CG2 4.27Š| ||
| 724 | T | 23.1 | Very low | 24.5 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | trans | 111.6 | 122.3 | 175.8 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | K772 | T724-K772 PolarHBondContact OG1-NZ 3.26Š| ||
| 725 | S | 25.4 | Very low | 24.8 | Very low | 95 Ų | 95 | 120.6 Ų | 120.6 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | cis | -174.3 | 169 | 24.3 | 41.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 726 | P | 24.4 | Very low | 25.2 | Very low | 105 Ų | 105 | 120 Ų | 120 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | trans | -92.9 | 152.3 | -146.2 | 36.6 | -35.2 | 0 | 0 | 0 | 116 | V659 G728 | V659-P726 HydrophobicContact CG1-CB 4.11Å; P726-G728 PolarHBondContact O-N 2.95Å | ||
| 727 | K | 26.6 | Very low | 25.9 | Very low | 199 Ų | 199 | 118.2 Ų | 118.2 | 87% | 0.865 | 66% | 0.658 | S | S | * | * | trans | -86 | 99.6 | -171.2 | -60.8 | 169.8 | -179.6 | 177.4 | 0 | 111.4 | ||||
| 728 | G | 24.1 | Very low | 26.7 | Very low | 64 Ų | 64 | 113.8 Ų | 113.8 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | trans | -113.5 | 112.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P726 | P726-G728 PolarHBondContact O-N 2.95Š| ||
| 729 | I | 26.7 | Very low | 27.6 | Very low | 124 Ų | 124 | 105.3 Ų | 105.3 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | trans | -168.4 | 11.3 | 154.7 | -96.6 | 151.5 | 0 | 0 | 0 | 113.3 | L731 L732 | I729-L731 VanDerWaalsContact C-N 3.29Å; I729-L731 PolarHBondContact O-N 3.41Å; I729-L731 VanDerWaalsContact O-N 3.1Å; I729-L732 PolarHBondContact O-N 2.96Å | ||
| 730 | D | 30.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 107.2 Ų | 107.2 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -20.2 | -176.6 | -71.9 | -22.1 | 0 | 0 | 0 | 116.3 | Y652 | Y652-D730 HydrophobicContact CE1-CB 4.5Š|
| 731 | L | 27.8 | Very low | 29.8 | Very low | 70 Ų | 70 | 108.7 Ų | 108.7 | 37% | 0.366 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -25.2 | -176.2 | -82.1 | 163.3 | 0 | 0 | 0 | 115 | Y652 I729 L752 | Y652-L731 HydrophobicContact CG-CD2 4.38Å; I729-L731 VanDerWaalsContact C-N 3.29Å; I729-L731 PolarHBondContact O-N 3.41Å; I729-L731 VanDerWaalsContact O-N 3.1Å; L731-L752 HydrophobicContact CB-CD1 4.38Å; L731-L752 HydrophobicContact CB-CD2 4.48Å |
| 732 | L | 24.7 | Very low | 31.3 | Very low | 85 Ų | 85 | 100.9 Ų | 100.9 | 45% | 0.445 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -28.8 | -178.5 | -96.2 | 160.2 | 0 | 0 | 0 | 112.5 | I729 L734 L752 | I729-L732 PolarHBondContact O-N 2.96Å; L732-L734 PolarHBondContact O-N 3.3Å; L732-L752 HydrophobicContact CG-CD1 4.22Å |
| 733 | Q | 29.8 | Very low | 32.8 | Very low | 132 Ų | 132 | 94.6 Ų | 94.6 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.7 | -175.5 | -146.2 | 162.6 | -2.6 | 0 | 0 | 112.8 | ||
| 734 | L | 34.4 | Very low | 34.1 | Very low | 88 Ų | 88 | 90.1 Ų | 90.1 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -14.2 | -178.3 | -68.5 | 165.9 | 0 | 0 | 0 | 114.1 | N649 L732 | N649-L734 WeakPolarHBondContact OD1-CD1 3.22Å; L732-L734 PolarHBondContact O-N 3.3Å |
| 735 | G | 30.2 | Very low | 35.2 | Very low | 20 Ų | 20 | 87.1 Ų | 87.1 | 21% | 0.206 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -20.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G737 L738 | G735-G737 PolarHBondContact O-N 3.42Å; G735-G737 VanDerWaalsContact O-N 3.11Å; G735-L738 PolarHBondContact O-N 3.43Å |
| 736 | L | 29.9 | Very low | 36.6 | Very low | 142 Ų | 142 | 87.8 Ų | 87.8 | 74% | 0.743 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -3.6 | -172.4 | -77.5 | 167.6 | 0 | 0 | 0 | 115 | ||
| 737 | G | 35.5 | Very low | 38 | Very low | 74 Ų | 74 | 85.9 Ų | 85.9 | 76% | 0.763 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G735 | G735-G737 PolarHBondContact O-N 3.42Å; G735-G737 VanDerWaalsContact O-N 3.11Å |
| 738 | L | 37.1 | Very low | 38.9 | Very low | 59 Ų | 59 | 77.8 Ų | 77.8 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -114.8 | 140.5 | -174.6 | -61.2 | 173.2 | 0 | 0 | 0 | 110.6 | A641 G735 N742 V744 | A641-L738 HydrophobicContact CB-CD1 4.22Å; A641-L738 HydrophobicContact CB-CD2 4.4Å; G735-L738 PolarHBondContact O-N 3.43Å; L738-N742 HydrophobicContact CB-CB 4.03Å; L738-V744 HydrophobicContact CD1-CB 4.42Å |
| 739 | S | 41.1 | Very low | 39.9 | Very low | 72 Ų | 72 | 79.5 Ų | 79.5 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | trans | -53.4 | 149.3 | 176.5 | 179 | 0 | 0 | 0 | 0 | 111.4 | D741 N742 | S739-D741 PolarHBondContact O-N 3.38Å; S739-D741 VanDerWaalsContact O-N 3.1Å; S739-D741 PolarHBondContact OG-N 3.44Å; S739-D741 PolarHBondContact OG-OD2 2.96Å; S739-N742 WeakPolarHBondContact O-CB 3.42Å; S739-N742 PolarHBondContact O-N 3.38Å | ||
| 740 | Q | 40.5 | Very low | 41 | Very low | 149 Ų | 149 | 79.2 Ų | 79.2 | 70% | 0.696 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.3 | 173.1 | -66.2 | -176.9 | 0.9 | 0 | 0 | 112.8 | N742 F745 Q746 | Q740-N742 VanDerWaalsContact C-N 3.26Å; Q740-N742 PolarHBondContact O-N 3.49Å; Q740-F745 HydrophobicContact CB-CD1 4.41Å; Q740-F745 HydrophobicContact CB-CE1 4.3Å; Q740-F745 HydrophobicContact CG-CE1 4.07Å; Q740-F745 HydrophobicContact CG-CZ 4.39Å; Q740-Q746 PolarHBondContact O-NE2 2.82Å |
| 741 | D | 46.8 | Very low | 41.7 | Very low | 133 Ų | 133 | 78.8 Ų | 78.8 | 71% | 0.711 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -10.5 | 174.5 | -54 | -43.5 | 0 | 0 | 0 | 113.1 | S739 | S739-D741 PolarHBondContact O-N 3.38Å; S739-D741 VanDerWaalsContact O-N 3.1Å; S739-D741 PolarHBondContact OG-N 3.44Å; S739-D741 PolarHBondContact OG-OD2 2.96Å |
| 742 | N | 53.2 | Low | 42.2 | Very low | 27 Ų | 27 | 77.8 Ų | 77.8 | 14% | 0.144 | 42% | 0.422 | C | S | . | . | trans | -70.9 | 126 | -178.2 | -167.9 | -51.3 | 0 | 0 | 0 | 109.9 | L738 S739 Q740 V744 F745 Q746 | L738-N742 HydrophobicContact CB-CB 4.03Å; S739-N742 WeakPolarHBondContact O-CB 3.42Å; S739-N742 PolarHBondContact O-N 3.38Å; Q740-N742 VanDerWaalsContact C-N 3.26Å; Q740-N742 PolarHBondContact O-N 3.49Å; N742-V744 PolarHBondContact O-N 2.86Å; N742-V744 VanDerWaalsContact O-N 3.13Å; N742-V744 VanDerWaalsContact OD1-CB 3.28Å; N742-V744 WeakPolarHBondContact OD1-CB 3.33Å; N742-V744 WeakPolarHBondContact OD1-CG2 3.35Å; N742-V744 PolarHBondContact OD1-N 3.09Å; N742-F745 HydrophobicContact CB-CB 4.29Å; N742-F745 WeakPolarHBondContact O-CA 3.44Å; N742-F745 WeakPolarHBondContact O-CB 3.32Å; N742-F745 PolarHBondContact O-N 2.81Å; N742-Q746 PolarHBondContact O-N 2.79Å | ||
| 743 | P | 54.8 | Low | 42.9 | Very low | 44 Ų | 44 | 75.9 Ų | 75.9 | 29% | 0.286 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.5 | -29.1 | -178.4 | 23.2 | -34.2 | 0 | 0 | 0 | 112.8 | Q746 Q747 | P743-Q746 PolarHBondContact O-N 2.8Å; P743-Q747 WeakPolarHBondContact O-CB 3.39Å; P743-Q747 WeakPolarHBondContact O-CG 3.31Å; P743-Q747 PolarHBondContact O-N 2.81Å |
| 744 | V | 48.9 | Very low | 43.6 | Very low | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.024 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | A641 Y642 F645 L738 N742 A748 | A641-V744 HydrophobicContact CB-CG2 4.08Å; Y642-V744 HydrophobicContact CD1-CG2 4.19Å; Y642-V744 HydrophobicContact CD2-CG2 3.51Å; Y642-V744 HydrophobicContact CE1-CG2 3.98Å; Y642-V744 HydrophobicContact CE2-CG2 3.27Å; Y642-V744 HydrophobicContact CG-CG2 3.96Å; F645-V744 HydrophobicContact CB-CG1 4.16Å; F645-V744 HydrophobicContact CD1-CG1 4.36Å; F645-V744 HydrophobicContact CD2-CG1 3.72Å; F645-V744 HydrophobicContact CE2-CG1 4.2Å; F645-V744 HydrophobicContact CG-CG1 3.82Å; L738-V744 HydrophobicContact CD1-CB 4.42Å; N742-V744 PolarHBondContact O-N 2.86Å; N742-V744 VanDerWaalsContact O-N 3.13Å; N742-V744 VanDerWaalsContact OD1-CB 3.28Å; N742-V744 WeakPolarHBondContact OD1-CB 3.33Å; N742-V744 WeakPolarHBondContact OD1-CG2 3.35Å; N742-V744 PolarHBondContact OD1-N 3.09Å; V744-A748 WeakPolarHBondContact O-CB 3.41Å; V744-A748 PolarHBondContact O-N 2.9Å |
| 745 | F | 47 | Very low | 43.6 | Very low | 44 Ų | 44 | 76.6 Ų | 76.6 | 19% | 0.193 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 177.6 | -178.2 | -90.6 | 0 | 0 | 0 | 110.6 | Q740 N742 A748 F749 | Q740-F745 HydrophobicContact CB-CD1 4.41Å; Q740-F745 HydrophobicContact CB-CE1 4.3Å; Q740-F745 HydrophobicContact CG-CE1 4.07Å; Q740-F745 HydrophobicContact CG-CZ 4.39Å; N742-F745 HydrophobicContact CB-CB 4.29Å; N742-F745 WeakPolarHBondContact O-CA 3.44Å; N742-F745 WeakPolarHBondContact O-CB 3.32Å; N742-F745 PolarHBondContact O-N 2.81Å; F745-A748 PolarHBondContact O-N 2.87Å; F745-F749 HydrophobicContact CE1-CB 4.35Å; F745-F749 HydrophobicContact CE1-CD2 4.45Å; F745-F749 HydrophobicContact CE1-CG 4.48Å; F745-F749 HydrophobicContact CZ-CD2 4.38Å; F745-F749 WeakPolarHBondContact O-CA 3.28Å; F745-F749 WeakPolarHBondContact O-CB 3.48Å; F745-F749 PolarHBondContact O-N 3.49Å |
| 746 | Q | 54.8 | Low | 43.6 | Very low | 109 Ų | 109 | 80.2 Ų | 80.2 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | -179.6 | -66.9 | -175 | -1.9 | 0 | 0 | 112.6 | Q740 N742 P743 F749 Q750 | Q740-Q746 PolarHBondContact O-NE2 2.82Å; N742-Q746 PolarHBondContact O-N 2.79Å; P743-Q746 PolarHBondContact O-N 2.8Å; Q746-F749 PolarHBondContact O-N 3.47Å; Q746-Q750 VanDerWaalsContact O-CB 3.3Å; Q746-Q750 WeakPolarHBondContact O-CB 3.33Å; Q746-Q750 PolarHBondContact O-N 3.31Å |
| 747 | Q | 53.2 | Low | 43.8 | Very low | 65 Ų | 65 | 79.8 Ų | 79.8 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 178.8 | -66.8 | -177 | 11.9 | 0 | 0 | 112 | L604 Y642 P743 Q750 L751 | L604-Q747 HydrophobicContact CD1-CB 3.5Å; L604-Q747 HydrophobicContact CD1-CG 4.47Å; L604-Q747 VanDerWaalsContact CD1-OE1 3.25Å; L604-Q747 HydrophobicContact CG-CB 4.47Å; Y642-Q747 PolarHBondContact OH-OE1 2.96Å; P743-Q747 WeakPolarHBondContact O-CB 3.39Å; P743-Q747 WeakPolarHBondContact O-CG 3.31Å; P743-Q747 PolarHBondContact O-N 2.81Å; Q747-Q750 PolarHBondContact O-N 2.97Å; Q747-L751 WeakPolarHBondContact O-CG 3.21Å; Q747-L751 PolarHBondContact O-N 2.89Å; Q747-L751 VanDerWaalsContact O-N 3.11Å |
| 748 | A | 46 | Very low | 44 | Very low | 29 Ų | 29 | 80 Ų | 80 | 24% | 0.24 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V744 F745 L751 L752 | V744-A748 WeakPolarHBondContact O-CB 3.41Å; V744-A748 PolarHBondContact O-N 2.9Å; F745-A748 PolarHBondContact O-N 2.87Å; A748-L751 PolarHBondContact O-N 2.58Å; A748-L752 WeakPolarHBondContact O-CB 3.44Å; A748-L752 PolarHBondContact O-N 3.14Å |
| 749 | F | 44 | Very low | 43.7 | Very low | 101 Ų | 101 | 81.8 Ų | 81.8 | 44% | 0.443 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 175.7 | -176.8 | -96.3 | 0 | 0 | 0 | 111.3 | F745 Q746 L752 T753 | F745-F749 HydrophobicContact CE1-CB 4.35Å; F745-F749 HydrophobicContact CE1-CD2 4.45Å; F745-F749 HydrophobicContact CE1-CG 4.48Å; F745-F749 HydrophobicContact CZ-CD2 4.38Å; F745-F749 WeakPolarHBondContact O-CA 3.28Å; F745-F749 WeakPolarHBondContact O-CB 3.48Å; F745-F749 PolarHBondContact O-N 3.49Å; Q746-F749 PolarHBondContact O-N 3.47Å; F749-L752 CarbonylContact O-C 3.54Å; F749-L752 PolarHBondContact O-N 3.31Å; F749-T753 HydrophobicContact CE1-CG2 3.89Å; F749-T753 HydrophobicContact CZ-CG2 4Å; F749-T753 PolarHBondContact O-N 3.19Å; F749-T753 PolarHBondContact O-OG1 3.25Å |
| 750 | Q | 49.6 | Very low | 43.2 | Very low | 118 Ų | 118 | 84 Ų | 84 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 177.5 | -166.8 | 172.7 | 6.1 | 0 | 0 | 111.5 | Q746 Q747 L752 T753 E754 | Q746-Q750 VanDerWaalsContact O-CB 3.3Å; Q746-Q750 WeakPolarHBondContact O-CB 3.33Å; Q746-Q750 PolarHBondContact O-N 3.31Å; Q747-Q750 PolarHBondContact O-N 2.97Å; Q750-L752 VanDerWaalsContact C-N 3.33Å; Q750-L752 PolarHBondContact O-N 3.46Å; Q750-T753 WeakPolarHBondContact CA-OG1 3.35Å; Q750-T753 PolarHBondContact O-N 2.98Å; Q750-T753 PolarHBondContact O-OG1 2.56Å; Q750-E754 WeakPolarHBondContact O-CG 3.44Å; Q750-E754 PolarHBondContact O-N 3.16Å |
| 751 | L | 46.7 | Very low | 43.1 | Very low | 90 Ų | 90 | 85.6 Ų | 85.6 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 173.5 | -77.4 | 163.9 | 0 | 0 | 0 | 112.4 | L604 Q747 A748 R755 | L604-L751 HydrophobicContact CD1-CD1 4.29Å; Q747-L751 WeakPolarHBondContact O-CG 3.21Å; Q747-L751 PolarHBondContact O-N 2.89Å; Q747-L751 VanDerWaalsContact O-N 3.11Å; A748-L751 PolarHBondContact O-N 2.58Å; L751-R755 PolarHBondContact O-N 2.93Å |
| 752 | L | 38.4 | Very low | 42 | Very low | 48 Ų | 48 | 87 Ų | 87 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 175.3 | -87.6 | 164.2 | 0 | 0 | 0 | 112.2 | L731 L732 A748 F749 Q750 R755 H756 | L731-L752 HydrophobicContact CB-CD1 4.38Å; L731-L752 HydrophobicContact CB-CD2 4.48Å; L732-L752 HydrophobicContact CG-CD1 4.22Å; A748-L752 WeakPolarHBondContact O-CB 3.44Å; A748-L752 PolarHBondContact O-N 3.14Å; F749-L752 CarbonylContact O-C 3.54Å; F749-L752 PolarHBondContact O-N 3.31Å; Q750-L752 VanDerWaalsContact C-N 3.33Å; Q750-L752 PolarHBondContact O-N 3.46Å; L752-R755 CarbonylContact O-C 3.56Å; L752-R755 PolarHBondContact O-N 3.29Å; L752-H756 WeakPolarHBondContact O-CB 3.42Å; L752-H756 PolarHBondContact O-N 3.39Å |
| 753 | T | 39.7 | Very low | 41.1 | Very low | 46 Ų | 46 | 93 Ų | 93 | 28% | 0.282 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 179.8 | 10.8 | 0 | 0 | 0 | 0 | 111.5 | F749 Q750 R755 H756 Q757 | F749-T753 HydrophobicContact CE1-CG2 3.89Å; F749-T753 HydrophobicContact CZ-CG2 4Å; F749-T753 PolarHBondContact O-N 3.19Å; F749-T753 PolarHBondContact O-OG1 3.25Å; Q750-T753 WeakPolarHBondContact CA-OG1 3.35Å; Q750-T753 PolarHBondContact O-N 2.98Å; Q750-T753 PolarHBondContact O-OG1 2.56Å; T753-R755 PolarHBondContact O-N 3.1Å; T753-H756 PolarHBondContact O-N 2.9Å; T753-Q757 WeakPolarHBondContact O-CB 3.33Å; T753-Q757 VanDerWaalsContact O-CG 3.3Å; T753-Q757 WeakPolarHBondContact O-CG 3.5Å; T753-Q757 PolarHBondContact O-N 3.14Å |
| 754 | E | 43.6 | Very low | 40.1 | Very low | 124 Ų | 124 | 95.8 Ų | 95.8 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57.6 | -38.4 | 172.5 | -74.6 | -179.2 | -179.6 | 0 | 0 | 111.5 | Q750 | Q750-E754 WeakPolarHBondContact O-CG 3.44Å; Q750-E754 PolarHBondContact O-N 3.16Å |
| 755 | R | 34.7 | Very low | 39.5 | Very low | 111 Ų | 111 | 101.5 Ų | 101.5 | 42% | 0.419 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76.8 | -41.6 | 175 | -124.2 | -179.4 | -177.2 | -165.6 | 0.9 | 113.1 | P656 L751 L752 T753 Q757 S758 V759 | P656-R755 PolarHBondContact O-NH1 3.27Å; P656-R755 PolarHBondContact O-NH2 3.24Å; L751-R755 PolarHBondContact O-N 2.93Å; L752-R755 CarbonylContact O-C 3.56Å; L752-R755 PolarHBondContact O-N 3.29Å; T753-R755 PolarHBondContact O-N 3.1Å; R755-Q757 VanDerWaalsContact C-N 3.29Å; R755-Q757 PolarHBondContact O-N 2.77Å; R755-S758 WeakPolarHBondContact O-CA 3.45Å; R755-S758 WeakPolarHBondContact O-CB 3.45Å; R755-S758 PolarHBondContact O-N 2.81Å; R755-S758 PolarHBondContact O-OG 2.9Å; R755-V759 PolarHBondContact O-N 3.28Å; R755-V759 VanDerWaalsContact O-N 3.14Å |
| 756 | H | 29.6 | Very low | 38.8 | Very low | 96 Ų | 96 | 102.6 Ų | 102.6 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -33.1 | 179.1 | -135.6 | -70.8 | 0 | 0 | 0 | 111.4 | L752 T753 S758 V759 L760 | L752-H756 WeakPolarHBondContact O-CB 3.42Å; L752-H756 PolarHBondContact O-N 3.39Å; T753-H756 PolarHBondContact O-N 2.9Å; H756-S758 VanDerWaalsContact C-N 3.27Å; H756-S758 PolarHBondContact O-N 3.46Å; H756-V759 PolarHBondContact O-N 2.78Å; H756-L760 WeakPolarHBondContact ND1-CD1 3.46Å; H756-L760 VanDerWaalsContact ND1-CG 3.33Å; H756-L760 WeakPolarHBondContact ND1-CG 3.36Å; H756-L760 VanDerWaalsContact O-CB 3.27Å; H756-L760 WeakPolarHBondContact O-CB 3.2Å; H756-L760 WeakPolarHBondContact O-CG 3.35Å; H756-L760 PolarHBondContact O-N 3.48Å |
| 757 | Q | 34.3 | Very low | 37.9 | Very low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.6 | -24.7 | 171.9 | -75 | -177.2 | 2.5 | 0 | 0 | 113 | T753 R755 | T753-Q757 WeakPolarHBondContact O-CB 3.33Å; T753-Q757 VanDerWaalsContact O-CG 3.3Å; T753-Q757 WeakPolarHBondContact O-CG 3.5Å; T753-Q757 PolarHBondContact O-N 3.14Å; R755-Q757 VanDerWaalsContact C-N 3.29Å; R755-Q757 PolarHBondContact O-N 2.77Å |
| 758 | S | 39 | Very low | 37 | Very low | 78 Ų | 78 | 110.8 Ų | 110.8 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -77 | -30.5 | 171.2 | 76.2 | 0 | 0 | 0 | 0 | 113 | R755 H756 | R755-S758 WeakPolarHBondContact O-CA 3.45Å; R755-S758 WeakPolarHBondContact O-CB 3.45Å; R755-S758 PolarHBondContact O-N 2.81Å; R755-S758 PolarHBondContact O-OG 2.9Å; H756-S758 VanDerWaalsContact C-N 3.27Å; H756-S758 PolarHBondContact O-N 3.46Å |
| 759 | V | 32 | Very low | 36.3 | Very low | 96 Ų | 96 | 114.6 Ų | 114.6 | 58% | 0.582 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -88.5 | -41.5 | -179 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | R755 H756 K761 M762 | R755-V759 PolarHBondContact O-N 3.28Å; R755-V759 VanDerWaalsContact O-N 3.14Å; H756-V759 PolarHBondContact O-N 2.78Å; V759-K761 PolarHBondContact O-N 3.42Å; V759-K761 VanDerWaalsContact O-N 3.11Å; V759-M762 PolarHBondContact O-N 2.8Å |
| 760 | L | 29.7 | Very low | 35.9 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 62% | 0.618 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -5.4 | 178.5 | -77.7 | 169.1 | 0 | 0 | 0 | 114.3 | H756 M762 | H756-L760 WeakPolarHBondContact ND1-CD1 3.46Å; H756-L760 VanDerWaalsContact ND1-CG 3.33Å; H756-L760 WeakPolarHBondContact ND1-CG 3.36Å; H756-L760 VanDerWaalsContact O-CB 3.27Å; H756-L760 WeakPolarHBondContact O-CB 3.2Å; H756-L760 WeakPolarHBondContact O-CG 3.35Å; H756-L760 PolarHBondContact O-N 3.48Å; L760-M762 PolarHBondContact O-N 2.89Å |
| 761 | K | 38.2 | Very low | 35 | Very low | 183 Ų | 183 | 112 Ų | 112 | 80% | 0.796 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 0.8 | 165.5 | -79.1 | -177.2 | 179.8 | 177.4 | 0 | 113.2 | V759 | V759-K761 PolarHBondContact O-N 3.42Å; V759-K761 VanDerWaalsContact O-N 3.11Å |
| 762 | M | 25.4 | Very low | 34.3 | Very low | 164 Ų | 164 | 112.5 Ų | 112.5 | 81% | 0.808 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -100.5 | 106.9 | 170.3 | -69.4 | -161.8 | 171.2 | 0 | 0 | 110.8 | V759 L760 | V759-M762 PolarHBondContact O-N 2.8Å; L760-M762 PolarHBondContact O-N 2.89Å |
| 763 | N | 33.1 | Very low | 33.9 | Very low | 153 Ų | 153 | 114.4 Ų | 114.4 | 82% | 0.818 | 60% | 0.601 | S | S | * | * | trans | -77 | 124.6 | 177 | -80.3 | -20 | 0 | 0 | 0 | 111.1 | ||||
| 764 | P | 34 | Very low | 33.3 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 66% | 0.662 | 62% | 0.619 | S | S | * | * | trans | -85.9 | 144 | -177.8 | 34.3 | -32.2 | 0 | 0 | 0 | 111 | E769 | P764-E769 VanDerWaalsContact CB-OE2 3.31Å; P764-E769 WeakPolarHBondContact CB-OE2 3.32Å | ||
| 765 | S | 35.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 86% | 0.86 | 62% | 0.621 | S | S | * | * | trans | -129.5 | 11.6 | -170 | 57.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 766 | S | 33.5 | Very low | 32.1 | Very low | 68 Ų | 68 | 117.5 Ų | 117.5 | 48% | 0.476 | 63% | 0.633 | S | S | . | * | trans | -150.5 | 145.3 | 174.9 | 71.5 | 0 | 0 | 0 | 0 | 115.6 | E768 E769 | S766-E768 PolarHBondContact O-N 3.46Å; S766-E769 PolarHBondContact O-N 2.88Å | ||
| 767 | K | 35.3 | Very low | 32 | Very low | 191 Ų | 191 | 117.5 Ų | 117.5 | 83% | 0.83 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -12.6 | -177 | -85.4 | 180 | 172 | 178.9 | 0 | 114.6 | E769 V770 | K767-E769 VanDerWaalsContact C-N 3.28Å; K767-E769 PolarHBondContact O-N 3.13Å; K767-V770 PolarHBondContact O-N 2.77Å |
| 768 | E | 33.4 | Very low | 31.4 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.8 | -22.3 | 174.1 | -78.7 | -176.5 | 150.2 | 0 | 0 | 113 | S766 V770 S771 K772 | S766-E768 PolarHBondContact O-N 3.46Å; E768-V770 VanDerWaalsContact C-N 3.3Å; E768-V770 PolarHBondContact O-N 2.71Å; E768-S771 PolarHBondContact O-OG 2.94Å; E768-K772 PolarHBondContact O-N 2.83Å |
| 769 | E | 32.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -70.5 | -28.3 | 172.7 | -78.7 | -179.6 | 144 | 0 | 0 | 112.2 | P764 S766 K767 T773 | P764-E769 VanDerWaalsContact CB-OE2 3.31Å; P764-E769 WeakPolarHBondContact CB-OE2 3.32Å; S766-E769 PolarHBondContact O-N 2.88Å; K767-E769 VanDerWaalsContact C-N 3.28Å; K767-E769 PolarHBondContact O-N 3.13Å; E769-T773 PolarHBondContact O-N 3.34Å; E769-T773 PolarHBondContact O-OG1 3.33Å |
| 770 | V | 35.3 | Very low | 30.2 | Very low | 91 Ų | 91 | 126 Ų | 126 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.6 | -35.2 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | K767 E768 T773 L774 | K767-V770 PolarHBondContact O-N 2.77Å; E768-V770 VanDerWaalsContact C-N 3.3Å; E768-V770 PolarHBondContact O-N 2.71Å; V770-T773 WeakPolarHBondContact CA-OG1 3.45Å; V770-T773 PolarHBondContact O-N 2.98Å; V770-T773 PolarHBondContact O-OG1 3.3Å; V770-L774 PolarHBondContact O-N 2.96Å |
| 771 | S | 31.1 | Very low | 29.9 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 51% | 0.51 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -75.6 | -34.1 | 176 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | E768 T773 L774 S775 | E768-S771 PolarHBondContact O-OG 2.94Å; S771-T773 PolarHBondContact O-N 3.04Å; S771-L774 PolarHBondContact O-N 3.1Å; S771-L774 VanDerWaalsContact O-N 3.16Å; S771-S775 PolarHBondContact O-N 2.96Å |
| 772 | K | 30.8 | Very low | 29.3 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 44% | 0.443 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -61.9 | -28.1 | 168.9 | -81.4 | -174.3 | 175.6 | -174.8 | 0 | 112.5 | T724 E768 S775 I776 | T724-K772 PolarHBondContact OG1-NZ 3.26Å; E768-K772 PolarHBondContact O-N 2.83Å; K772-S775 PolarHBondContact O-OG 3.01Å; K772-I776 VanDerWaalsContact O-CD1 3.3Å; K772-I776 WeakPolarHBondContact O-CD1 3.4Å; K772-I776 WeakPolarHBondContact O-CG1 3.32Å |
| 773 | T | 30.6 | Very low | 29.2 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 54% | 0.54 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -71 | -31.2 | 174.8 | -14.2 | 0 | 0 | 0 | 0 | 112.6 | E769 V770 S771 | E769-T773 PolarHBondContact O-N 3.34Å; E769-T773 PolarHBondContact O-OG1 3.33Å; V770-T773 WeakPolarHBondContact CA-OG1 3.45Å; V770-T773 PolarHBondContact O-N 2.98Å; V770-T773 PolarHBondContact O-OG1 3.3Å; S771-T773 PolarHBondContact O-N 3.04Å |
| 774 | L | 27.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -81.6 | -28.1 | -175.6 | -83.9 | 158.4 | 0 | 0 | 0 | 114.2 | V770 S771 I776 | V770-L774 PolarHBondContact O-N 2.96Å; S771-L774 PolarHBondContact O-N 3.1Å; S771-L774 VanDerWaalsContact O-N 3.16Å; L774-I776 VanDerWaalsContact C-N 3.29Å; L774-I776 PolarHBondContact O-N 3.35Å |
| 775 | S | 26.5 | Very low | 28.4 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -75.8 | -14.2 | 178.1 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | S771 K772 V777 | S771-S775 PolarHBondContact O-N 2.96Å; K772-S775 PolarHBondContact O-OG 3.01Å; S775-V777 PolarHBondContact O-N 3.37Å |
| 776 | I | 26.8 | Very low | 27.7 | Very low | 129 Ų | 129 | 140 Ų | 140 | 66% | 0.662 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -70.7 | -16.3 | -179.2 | -67.5 | 168.4 | 0 | 0 | 0 | 112.1 | K772 L774 R778 | K772-I776 VanDerWaalsContact O-CD1 3.3Å; K772-I776 WeakPolarHBondContact O-CD1 3.4Å; K772-I776 WeakPolarHBondContact O-CG1 3.32Å; L774-I776 VanDerWaalsContact C-N 3.29Å; L774-I776 PolarHBondContact O-N 3.35Å; I776-R778 PolarHBondContact O-N 3.34Å |
| 777 | V | 26.3 | Very low | 27.3 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 58% | 0.576 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -77.5 | -13.6 | -170.9 | 178.5 | 0 | 0 | 0 | 0 | 114.7 | S775 F780 | S775-V777 PolarHBondContact O-N 3.37Å; V777-F780 WeakPolarHBondContact O-CE2 3.42Å |
| 778 | R | 22.1 | Very low | 26.7 | Very low | 239 Ų | 239 | 137.2 Ų | 137.2 | 90% | 0.902 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -111.4 | 18.1 | -161.8 | -86.9 | -172.7 | 177.6 | 178.9 | -0.3 | 119.1 | I776 | I776-R778 PolarHBondContact O-N 3.34Š|
| 779 | A | 22.4 | Very low | 26.2 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 67% | 0.667 | S | S | * | * | trans | -133.5 | 80 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 780 | F | 23 | Very low | 25.8 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 66% | 0.658 | 68% | 0.678 | S | S | * | * | trans | -121.5 | 115.4 | 176.2 | -65.5 | -80.6 | 0 | 0 | 0 | 110 | V777 | V777-F780 WeakPolarHBondContact O-CE2 3.42Š| ||
| 781 | K | 23.7 | Very low | 25.2 | Very low | 206 Ų | 206 | 141 Ų | 141 | 90% | 0.896 | 69% | 0.691 | S | S | * | * | trans | -156.3 | 145.4 | 167.3 | -120.1 | -177.2 | -179.2 | -174.4 | 0 | 112.5 | ||||
| 782 | Y | 25.1 | Very low | 24.8 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | -104.8 | 165.9 | -151 | -61.3 | -95.2 | 0 | 0 | 0 | 117 | ||||
| 783 | Y | 25 | Very low | 24.5 | Very low | 232 Ų | 232 | 140 Ų | 140 | 91% | 0.91 | 71% | 0.707 | S | S | * | * | trans | -151.5 | 158.3 | 175.5 | -83.8 | -81.6 | 0 | 0 | 0 | 115.9 | ||||
| 784 | W | 24.2 | Very low | 24.3 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | trans | -119.1 | 172.3 | -165 | -76.3 | 49.7 | 0 | 0 | 0 | 116.4 | E877 | W784-E877 HydrophobicContact CH2-CB 4.12Å; W784-E877 WeakPolarHBondContact CH2-OE2 3.45Å; W784-E877 HydrophobicContact CZ2-CB 4.46Å; W784-E877 WeakPolarHBondContact CZ2-OE2 3.36Å | ||
| 785 | F | 24.8 | Very low | 24.5 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 68% | 0.68 | 69% | 0.693 | S | S | * | * | trans | -127.2 | 155.3 | -167.4 | -151.7 | -93.9 | 0 | 0 | 0 | 116.3 | V1029 | F785-V1029 HydrophobicContact CD1-CG2 4.38Å; F785-V1029 HydrophobicContact CE1-CG2 4.07Å; F785-V1029 HydrophobicContact CZ-CG2 4.45Å | ||
| 786 | W | 21.5 | Very low | 24.8 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | trans | -128.6 | 138 | -178.8 | -171.2 | 41.8 | 0 | 0 | 0 | 110.2 | ||||
| 787 | C | 24.5 | Very low | 24.9 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | trans | -128.6 | 127.9 | -179.1 | -160.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 788 | N | 23.1 | Very low | 25.4 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | trans | -98.4 | 114.3 | 176.6 | -78.4 | -42.1 | 0 | 0 | 0 | 109.7 | ||||
| 789 | S | 23.9 | Very low | 25.9 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -124.5 | 130 | 164.6 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 790 | H | 23.9 | Very low | 26.5 | Very low | 159 Ų | 159 | 119.3 Ų | 119.3 | 74% | 0.736 | 60% | 0.598 | S | S | * | * | trans | -72.5 | 154.4 | -176 | -49.3 | -82.2 | 0 | 0 | 0 | 111.8 | ||||
| 791 | I | 22.5 | Very low | 26.9 | Very low | 163 Ų | 163 | 116.6 Ų | 116.6 | 84% | 0.836 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 104.4 | 108.5 | 173.1 | -52.9 | 158.1 | 0 | 0 | 0 | 114.3 | ||
| 792 | A | 23.4 | Very low | 27.2 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 60.2 | 119.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 793 | A | 24.5 | Very low | 27.8 | Very low | 76 Ų | 76 | 101.2 Ų | 101.2 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 61.5 | 140.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q795 | A793-Q795 PolarHBondContact O-N 3Š|
| 794 | S | 26 | Very low | 28.3 | Very low | 81 Ų | 81 | 97 Ų | 97 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | trans | -63.8 | 83.7 | -172.3 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | L796 | S794-L796 PolarHBondContact O-N 3.33Š| ||
| 795 | Q | 30.5 | Very low | 29.3 | Very low | 76 Ų | 76 | 91.7 Ų | 91.7 | 36% | 0.355 | 54% | 0.536 | S | S | . | . | trans | -84.9 | 99.3 | 175.2 | -66.4 | 175.6 | 40.2 | 0 | 0 | 109.5 | A793 L797 W1394 | A793-Q795 PolarHBondContact O-N 3Å; Q795-L797 PolarHBondContact O-N 3.36Å; Q795-W1394 HydrophobicContact CG-CE3 4.28Å; Q795-W1394 HydrophobicContact CG-CH2 3.75Å; Q795-W1394 HydrophobicContact CG-CZ2 4.27Å; Q795-W1394 HydrophobicContact CG-CZ3 3.74Å; Q795-W1394 VanDerWaalsContact NE2-CH2 3.31Å | ||
| 796 | L | 32.7 | Very low | 30.6 | Very low | 75 Ų | 75 | 85.4 Ų | 85.4 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 113.6 | 159.1 | -88.2 | 149.4 | 0 | 0 | 0 | 107 | S794 | S794-L796 PolarHBondContact O-N 3.33Å |
| 797 | L | 30.3 | Very low | 32 | Very low | 91 Ų | 91 | 76.4 Ų | 76.4 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 112.1 | -174.9 | -167.9 | 99.5 | 0 | 0 | 0 | 109.1 | Q795 V1390 K1392 | Q795-L797 PolarHBondContact O-N 3.36Å; L797-V1390 HydrophobicContact CD1-CG1 3.37Å; L797-V1390 HydrophobicContact CG-CG1 3.86Å; L797-K1392 HydrophobicContact CD1-CD 4.22Å; L797-K1392 VanDerWaalsContact CD1-CE 3.41Å; L797-K1392 HydrophobicContact CD1-CG 3.95Å |
| 798 | W | 36.3 | Very low | 33.4 | Very low | 31 Ų | 31 | 73 Ų | 73 | 12% | 0.117 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115.6 | 167.5 | -57.3 | -34.6 | 0 | 0 | 0 | 108 | Y858 L870 A872 V1390 I1391 | W798-Y858 AromaticContact CH2-CD2 3.8Å; W798-Y858 HydrophobicContact CH2-CD2 3.8Å; W798-Y858 AromaticContact CH2-CG 3.83Å; W798-Y858 HydrophobicContact CH2-CG 3.83Å; W798-Y858 HydrophobicContact CZ2-CD2 4.43Å; W798-Y858 HydrophobicContact CZ3-CG 4.44Å; W798-L870 HydrophobicContact CD2-CD1 4.01Å; W798-L870 HydrophobicContact CE3-CB 4.47Å; W798-L870 HydrophobicContact CE3-CD1 3.41Å; W798-L870 VanDerWaalsContact CE3-CD1 3.41Å; W798-L870 HydrophobicContact CE3-CG 4.5Å; W798-L870 HydrophobicContact CH2-CB 4.35Å; W798-L870 HydrophobicContact CZ3-CB 4.33Å; W798-L870 HydrophobicContact CZ3-CD1 3.71Å; W798-A872 HydrophobicContact CZ2-CB 4.38Å; W798-V1390 WeakPolarHBondContact O-CA 3.42Å; W798-I1391 HydrophobicContact CB-CB 4.35Å; W798-I1391 HydrophobicContact CE3-CB 3.92Å; W798-I1391 HydrophobicContact CE3-CD1 4.32Å; W798-I1391 HydrophobicContact CE3-CG2 3.68Å; W798-I1391 HydrophobicContact CZ3-CG2 4.05Å; W798-I1391 PolarHBondContact N-O 3.42Å; W798-I1391 PolarHBondContact O-N 2.88Å |
| 799 | A | 32.7 | Very low | 35 | Very low | 59 Ų | 59 | 69.2 Ų | 69.2 | 49% | 0.488 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 102.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 800 | I | 35.9 | Very low | 36.7 | Very low | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | trans | -82.2 | 132.3 | 172.7 | -59.5 | 156 | 0 | 0 | 0 | 106.3 | T802 V807 L868 I1391 | I800-T802 HydrophobicContact CB-CG2 4.09Å; I800-T802 HydrophobicContact CG2-CG2 3.89Å; I800-T802 PolarHBondContact O-N 3.44Å; I800-V807 HydrophobicContact CD1-CG2 4.13Å; I800-L868 HydrophobicContact CB-CD1 4.44Å; I800-L868 HydrophobicContact CD1-CD1 3.35Å; I800-L868 HydrophobicContact CG1-CD1 3.79Å; I800-L868 HydrophobicContact CG2-CD1 3.81Å; I800-I1391 HydrophobicContact CD1-CD1 3.77Å | ||
| 801 | P | 31.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 58.5 Ų | 58.5 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | trans | -69.9 | 85.3 | 175.4 | 27.7 | -31.4 | 0 | 0 | 0 | 109 | ||||
| 802 | T | 29.7 | Very low | 39.8 | Very low | 30 Ų | 30 | 53.2 Ų | 53.2 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | trans | -92 | 122.6 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 108.2 | I800 Q805 D1388 | I800-T802 HydrophobicContact CB-CG2 4.09Å; I800-T802 HydrophobicContact CG2-CG2 3.89Å; I800-T802 PolarHBondContact O-N 3.44Å; T802-Q805 WeakPolarHBondContact CB-O 3.43Å; T802-Q805 WeakPolarHBondContact CG2-O 3.47Å; T802-D1388 VanDerWaalsContact OG1-C 3.31Å; T802-D1388 PolarHBondContact OG1-O 2.85Å | ||
| 803 | G | 37.9 | Very low | 41.1 | Very low | 57 Ų | 57 | 51.7 Ų | 51.7 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -63.7 | -136.5 | 156 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q805 | G803-Q805 PolarHBondContact O-N 2.81Š|
| 804 | C | 35.6 | Very low | 42 | Very low | 142 Ų | 142 | 53.1 Ų | 53.1 | 96% | 0.959 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -70 | 36.5 | 173.9 | -52 | 0 | 0 | 0 | 0 | 113.8 | ||
| 805 | Q | 45.1 | Very low | 42.6 | Very low | 44 Ų | 44 | 54.7 Ų | 54.7 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | trans | -117.9 | 103.2 | -164.4 | -63.3 | 174.3 | -23.3 | 0 | 0 | 111.7 | T802 G803 S863 D864 | T802-Q805 WeakPolarHBondContact CB-O 3.43Å; T802-Q805 WeakPolarHBondContact CG2-O 3.47Å; G803-Q805 PolarHBondContact O-N 2.81Å; Q805-S863 VanDerWaalsContact CA-OG 3.3Å; Q805-S863 WeakPolarHBondContact CA-OG 3.22Å; Q805-D864 VanDerWaalsContact CD-OD2 3.24Å; Q805-D864 HydrophobicContact CG-CB 4.2Å; Q805-D864 VanDerWaalsContact NE2-CB 3.34Å; Q805-D864 PolarHBondContact NE2-OD2 2.89Å; Q805-D864 PolarHBondContact OE1-OD2 3.27Å | ||
| 806 | A | 50.3 | Low | 42.5 | Very low | 22 Ų | 22 | 57.6 Ų | 57.6 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -78.5 | 149.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T862 S863 T1351 V1387 | A806-T862 CarbonylContact O-C 3.3Å; A806-T862 WeakPolarHBondContact O-CA 3.31Å; A806-S863 PolarHBondContact N-OG 2.82Å; A806-S863 PolarHBondContact O-N 3.02Å; A806-T1351 HydrophobicContact CB-CG2 4.33Å; A806-V1387 HydrophobicContact CB-CB 4.48Å; A806-V1387 HydrophobicContact CB-CG1 4.33Å; A806-V1387 HydrophobicContact CB-CG2 4.42Å | ||
| 807 | V | 51.7 | Low | 42.2 | Very low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 127.3 | 167.2 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | I800 L810 A860 S861 T1351 A1385 I1391 | I800-V807 HydrophobicContact CD1-CG2 4.13Å; V807-L810 HydrophobicContact CG1-CD2 4.3Å; V807-L810 HydrophobicContact CG1-CG 4.45Å; V807-A860 HydrophobicContact CG1-CB 4.48Å; V807-S861 WeakPolarHBondContact CA-O 3.24Å; V807-T1351 VanDerWaalsContact O-CB 3.23Å; V807-T1351 WeakPolarHBondContact O-CB 3.26Å; V807-T1351 PolarHBondContact O-OG1 2.81Å; V807-A1385 HydrophobicContact CB-CB 3.98Å; V807-A1385 HydrophobicContact CG1-CB 3.83Å; V807-I1391 HydrophobicContact CG1-CD1 4.4Å; V807-I1391 HydrophobicContact CG2-CD1 4.29Å; V807-I1391 HydrophobicContact CG2-CG1 4.31Å |
| 808 | T | 54 | Low | 41.9 | Very low | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.172 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -36.7 | -167.2 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | S861 E889 V890 | T808-S861 PolarHBondContact N-O 2.72Å; T808-S861 PolarHBondContact OG1-O 2.88Å; T808-S861 PolarHBondContact OG1-OG 3.06Å; T808-E889 HydrophobicContact CG2-CG 3.89Å; T808-E889 WeakPolarHBondContact CG2-OE1 3.5Å; T808-V890 WeakPolarHBondContact CB-O 3.48Å; T808-V890 PolarHBondContact OG1-O 3.5Å |
| 809 | C | 56.9 | Low | 41.4 | Very low | 21 Ų | 21 | 63.2 Ų | 63.2 | 14% | 0.142 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 162.4 | 173.7 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | S861 L893 | C809-S861 PolarHBondContact N-OG 3.36Å; C809-S861 PolarHBondContact O-N 3.48Å; C809-S861 VanDerWaalsContact O-N 3.17Å; C809-S861 PolarHBondContact SG-OG 3.3Å; C809-L893 WeakPolarHBondContact SG-CB 3.34Å; C809-L893 PolarHBondContact SG-N 3.47Å; C809-L893 VanDerWaalsContact SG-N 3.45Å |
| 810 | L | 58.8 | Low | 41.1 | Very low | 30 Ų | 30 | 64.5 Ų | 64.5 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.3 | -176.1 | -71.6 | 167.3 | 0 | 0 | 0 | 110.9 | V807 A860 A1352 L1383 A1385 I1391 | V807-L810 HydrophobicContact CG1-CD2 4.3Å; V807-L810 HydrophobicContact CG1-CG 4.45Å; L810-A860 HydrophobicContact CD2-CB 3.7Å; L810-A1352 HydrophobicContact CD1-CB 4.13Å; L810-A1352 HydrophobicContact CG-CB 4.42Å; L810-L1383 HydrophobicContact CD1-CD2 3.5Å; L810-L1383 VanDerWaalsContact CD1-CD2 3.5Å; L810-L1383 HydrophobicContact CD2-CD2 4.19Å; L810-L1383 HydrophobicContact CG-CD2 4.35Å; L810-A1385 HydrophobicContact CD1-CB 3.95Å; L810-I1391 HydrophobicContact CD2-CD1 3.94Å; L810-I1391 HydrophobicContact CD2-CG2 4.4Å |
| 811 | A | 56.8 | Low | 40.6 | Very low | 16 Ų | 16 | 68.9 Ų | 68.9 | 13% | 0.132 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L859 L893 | A811-L859 PolarHBondContact N-O 3.49Å; A811-L859 PolarHBondContact O-N 3.05Å; A811-L893 HydrophobicContact CB-CD2 3.35Å |
| 812 | V | 54.8 | Low | 40.4 | Very low | 51 Ų | 51 | 72 Ų | 72 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.6 | -177.7 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | V814 Y858 L1356 | V812-V814 PolarHBondContact O-N 3.39Å; V812-Y858 HydrophobicContact CB-CD1 4.34Å; V812-Y858 HydrophobicContact CB-CE1 4.36Å; V812-Y858 HydrophobicContact CG1-CD1 4.08Å; V812-Y858 HydrophobicContact CG1-CE1 3.72Å; V812-Y858 HydrophobicContact CG2-CD1 3.83Å; V812-Y858 HydrophobicContact CG2-CE1 3.88Å; V812-L1356 HydrophobicContact CG2-CD2 4.28Å |
| 813 | E | 50.8 | Low | 40.2 | Very low | 46 Ų | 46 | 74.2 Ų | 74.2 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 119.6 | 171.7 | -159.2 | 172.7 | -179.3 | 0 | 0 | 110.2 | R857 F895 | E813-R857 PolarHBondContact N-O 3.46Å; E813-R857 VanDerWaalsContact OE2-CB 3.32Å; E813-R857 WeakPolarHBondContact OE2-CB 3.15Å; E813-R857 WeakPolarHBondContact OE2-CD 3.11Å; E813-F895 HydrophobicContact CB-CD1 3.49Å; E813-F895 VanDerWaalsContact CB-CD1 3.49Å; E813-F895 HydrophobicContact CB-CE1 3.45Å; E813-F895 VanDerWaalsContact CB-CE1 3.45Å; E813-F895 HydrophobicContact CG-CD1 3.78Å; E813-F895 HydrophobicContact CG-CE1 3.54Å; E813-F895 HydrophobicContact CG-CZ 4.17Å |
| 814 | V | 44 | Very low | 39.6 | Very low | 106 Ų | 106 | 78 Ų | 78 | 64% | 0.642 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 120.8 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | V812 S897 | V812-V814 PolarHBondContact O-N 3.39Å; V814-S897 WeakPolarHBondContact O-CB 3.35Å |
| 815 | P | 37.7 | Very low | 39 | Very low | 115 Ų | 115 | 76.9 Ų | 76.9 | 75% | 0.747 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 129.8 | 179.8 | 26.1 | -31.3 | 0 | 0 | 0 | 111 | ||
| 816 | Y | 28.7 | Very low | 37.9 | Very low | 136 Ų | 136 | 79.8 Ų | 79.8 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 121.5 | 175.7 | -159.1 | -92.5 | 0 | 0 | 0 | 110.6 | I818 | Y816-I818 HydrophobicContact CD1-CG1 3.93Å; Y816-I818 HydrophobicContact CE1-CG1 4.4Å; Y816-I818 PolarHBondContact O-N 2.84Å |
| 817 | T | 27.2 | Very low | 36.6 | Very low | 92 Ų | 92 | 85.1 Ų | 85.1 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | trans | -88.3 | 99.1 | 175.2 | 47 | 0 | 0 | 0 | 0 | 110 | S819 | T817-S819 VanDerWaalsContact C-N 3.31Å; T817-S819 PolarHBondContact O-N 3.23Å | ||
| 818 | I | 24.2 | Very low | 35.2 | Very low | 125 Ų | 125 | 92.1 Ų | 92.1 | 64% | 0.641 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 86.7 | 171.1 | -55.2 | 171.4 | 0 | 0 | 0 | 107.5 | Y816 | Y816-I818 HydrophobicContact CD1-CG1 3.93Å; Y816-I818 HydrophobicContact CE1-CG1 4.4Å; Y816-I818 PolarHBondContact O-N 2.84Å |
| 819 | S | 26.1 | Very low | 33.7 | Very low | 98 Ų | 98 | 98 Ų | 98 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | -15.9 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 114.2 | T817 | T817-S819 VanDerWaalsContact C-N 3.31Å; T817-S819 PolarHBondContact O-N 3.23Å |
| 820 | S | 25.7 | Very low | 32.1 | Very low | 87 Ų | 87 | 102.3 Ų | 102.3 | 61% | 0.608 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -96.5 | -9 | -176.5 | 54.7 | 0 | 0 | 0 | 0 | 115 | ||
| 821 | V | 26.3 | Very low | 30.3 | Very low | 108 Ų | 108 | 109 Ų | 109 | 66% | 0.655 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -93.3 | -17.4 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 822 | L | 26.4 | Very low | 28.6 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -91.9 | -0 | 178 | -81.6 | 163.8 | 0 | 0 | 0 | 114.5 | ||
| 823 | A | 26.3 | Very low | 27 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -99.8 | -7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 824 | N | 23.5 | Very low | 25.6 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -115.3 | 45.9 | -175.7 | -74.6 | -4.9 | 0 | 0 | 0 | 113.2 | P826 | N824-P826 VanDerWaalsContact O-CD 3.29Å; N824-P826 WeakPolarHBondContact O-CD 3.47Å | ||
| 825 | V | 23.8 | Very low | 24.6 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | trans | -92.6 | 104.7 | 160.7 | -177.5 | 0 | 0 | 0 | 0 | 107 | T827 | V825-T827 PolarHBondContact O-N 2.93Š| ||
| 826 | P | 22.6 | Very low | 23.8 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | trans | -64.5 | 127.9 | 179.6 | 26.8 | -31.4 | 0 | 0 | 0 | 109.1 | N824 D828 | N824-P826 VanDerWaalsContact O-CD 3.29Å; N824-P826 WeakPolarHBondContact O-CD 3.47Å; P826-D828 PolarHBondContact O-N 2.91Å | ||
| 827 | T | 22.2 | Very low | 23.5 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | trans | -57.2 | 111.7 | 167 | 47.5 | 0 | 0 | 0 | 0 | 109.4 | V825 | V825-T827 PolarHBondContact O-N 2.93Š| ||
| 828 | D | 22.5 | Very low | 23.3 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | -142.4 | 106.5 | 161.4 | -93.6 | -24.8 | 0 | 0 | 0 | 109.1 | P826 | P826-D828 PolarHBondContact O-N 2.91Š| ||
| 829 | D | 22.8 | Very low | 23.1 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 25.2 | 117 | 146.3 | -65.9 | -22.4 | 0 | 0 | 0 | 119.7 | ||||
| 830 | S | 22.3 | Very low | 23 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | 152.2 | 128.6 | 111.8 | 55 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 831 | M | 20.9 | Very low | 22.9 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | 43.8 | 118.7 | 145.8 | -64 | -76.8 | -171 | 0 | 0 | 117 | ||||
| 832 | E | 21.8 | Very low | 22.7 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -157.9 | 140.4 | 61.3 | -80.2 | 179.2 | 153.8 | 0 | 0 | 111.3 | |||||
| 833 | T | 21.3 | Very low | 22.5 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | -62.6 | 128.8 | 175.3 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 834 | V | 22.4 | Very low | 22.4 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -145.6 | 111.1 | 137.5 | -176.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 835 | S | 22.1 | Very low | 22.3 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -11 | 123.8 | 163.4 | 50.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 836 | T | 20.6 | Very low | 22.3 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | 55 | 134.3 | 64 | 69.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 837 | D | 22 | Very low | 22.1 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 95.4 | 108.4 | 175 | -48.2 | -11.1 | 0 | 0 | 0 | 111.8 | ||||
| 838 | D | 23.2 | Very low | 22.1 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | cis | -148.4 | 148.8 | 30.8 | -77.6 | -48.7 | 0 | 0 | 0 | 113.2 | ||||
| 839 | Q | 21.6 | Very low | 22.1 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 156.6 | 178.8 | -75.5 | 178.5 | -78.3 | 0 | 0 | 114.5 | ||||
| 840 | E | 22.3 | Very low | 22.1 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | trans | 59.9 | 98.9 | 140.1 | -71.4 | 165.8 | -159.6 | 0 | 0 | 118.6 | ||||
| 841 | D | 23.7 | Very low | 22.1 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | 176.4 | 88 | 122 | -90 | -22.7 | 0 | 0 | 0 | 110.9 | |||||
| 842 | L | 22.5 | Very low | 22.2 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -174.6 | 47.7 | 153.2 | -100.2 | 153.8 | 0 | 0 | 0 | 110.8 | ||||
| 843 | A | 22.5 | Very low | 22.4 | Very low | 91 Ų | 91 | 152 Ų | 152 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -87.9 | 95.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 844 | N | 23.6 | Very low | 22.7 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -168.9 | 11.3 | 148.1 | -98.5 | -17.1 | 0 | 0 | 0 | 119 | ||
| 845 | D | 22.7 | Very low | 23.3 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -122.4 | 20.5 | 177.3 | -87.7 | -23.9 | 0 | 0 | 0 | 116.5 | ||
| 846 | S | 21.9 | Very low | 24.5 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -115.5 | 62.3 | 171.8 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 847 | R | 20 | Very low | 26 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -136.9 | 53.2 | 167.5 | -71.9 | -167.5 | -177.8 | 174.2 | 4.3 | 112.9 | ||||
| 848 | H | 22.5 | Very low | 27.8 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -136.3 | 65.9 | 158.5 | -71.8 | -55.2 | 0 | 0 | 0 | 110.2 | ||||
| 849 | L | 22 | Very low | 29.5 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | trans | -110.7 | 103.9 | 162 | -102.3 | 100.3 | 0 | 0 | 0 | 109.3 | H851 | L849-H851 PolarHBondContact O-N 2.86Š| ||
| 850 | H | 21.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 85% | 0.852 | 62% | 0.624 | S | S | * | * | trans | -62.9 | 107.3 | 170.7 | -76.1 | -72.5 | 0 | 0 | 0 | 110.7 | N852 | H850-N852 PolarHBondContact O-N 2.93Š| ||
| 851 | H | 22 | Very low | 33.1 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 76% | 0.759 | 59% | 0.59 | S | S | * | * | trans | -82.7 | 106.2 | 173.2 | -91.7 | 32.5 | 0 | 0 | 0 | 112 | L849 | L849-H851 PolarHBondContact O-N 2.86Š| ||
| 852 | N | 25 | Very low | 34.8 | Very low | 135 Ų | 135 | 114.6 Ų | 114.6 | 72% | 0.722 | 55% | 0.55 | S | S | * | * | trans | 33 | 102.9 | 143.3 | -68.3 | -20.7 | 0 | 0 | 0 | 119.9 | H850 Y854 | H850-N852 PolarHBondContact O-N 2.93Å; N852-Y854 PolarHBondContact O-N 2.73Å | ||
| 853 | R | 25.2 | Very low | 36.4 | Very low | 244 Ų | 244 | 108.2 Ų | 108.2 | 92% | 0.921 | 52% | 0.519 | S | S | * | . | trans | -66 | 114.1 | 161.4 | -67.9 | 176.6 | 179.7 | 169.7 | 1 | 110.4 | R855 | R853-R855 PolarHBondContact O-N 2.85Š| ||
| 854 | Y | 26.5 | Very low | 38.2 | Very low | 200 Ų | 200 | 104 Ų | 104 | 78% | 0.784 | 48% | 0.484 | S | S | * | . | trans | -57.2 | 123.3 | 178.7 | -62.5 | -86.7 | 0 | 0 | 0 | 113.2 | N852 N873 | N852-Y854 PolarHBondContact O-N 2.73Å; Y854-N873 PolarHBondContact O-ND2 2.66Å | ||
| 855 | R | 36.3 | Very low | 39.6 | Very low | 110 Ų | 110 | 96.8 Ų | 96.8 | 42% | 0.415 | 45% | 0.445 | S | S | . | . | trans | -99.2 | 119.2 | 175.3 | -74.7 | 176.2 | 167.3 | 166.1 | -5.9 | 109.2 | R853 R857 | R853-R855 PolarHBondContact O-N 2.85Å; R855-R857 HydrophobicContact CB-CG 4.31Å; R855-R857 PolarHBondContact O-N 3.41Å | ||
| 856 | K | 46.3 | Very low | 41.3 | Very low | 107 Ų | 107 | 91.6 Ų | 91.6 | 47% | 0.465 | 41% | 0.414 | S | S | . | . | trans | -91.4 | 94.8 | 171.2 | -71.9 | -167.1 | 178.7 | -164.6 | 0 | 108.8 | Y858 A872 | K856-Y858 HydrophobicContact CB-CE2 3.98Å; K856-Y858 WeakPolarHBondContact O-CD2 3.49Å; K856-Y858 WeakPolarHBondContact O-CE2 3.33Å; K856-A872 HydrophobicContact CB-CB 4.42Å; K856-A872 PolarHBondContact O-N 3.07Å | ||
| 857 | R | 53 | Low | 43.1 | Very low | 29 Ų | 29 | 86.4 Ų | 86.4 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 145.9 | -179.8 | -63.3 | 163.2 | 166.4 | 178 | -3.1 | 111.7 | E813 R855 L869 L870 F895 | E813-R857 PolarHBondContact N-O 3.46Å; E813-R857 VanDerWaalsContact OE2-CB 3.32Å; E813-R857 WeakPolarHBondContact OE2-CB 3.15Å; E813-R857 WeakPolarHBondContact OE2-CD 3.11Å; R855-R857 HydrophobicContact CB-CG 4.31Å; R855-R857 PolarHBondContact O-N 3.41Å; R857-L869 HydrophobicContact CB-CD1 3.9Å; R857-L869 HydrophobicContact CG-CD1 4.25Å; R857-L870 CarbonylContact C-O 3.52Å; R857-L870 WeakPolarHBondContact CA-O 3.17Å; R857-F895 HydrophobicContact CB-CE1 3.89Å; R857-F895 HydrophobicContact CB-CZ 4.41Å |
| 858 | Y | 58.6 | Low | 44.9 | Very low | 16 Ų | 16 | 76.5 Ų | 76.5 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.6 | -179.1 | -60.7 | -92.5 | 0 | 0 | 0 | 107.9 | W798 V812 K856 L870 A872 L1383 R1393 | W798-Y858 AromaticContact CH2-CD2 3.8Å; W798-Y858 HydrophobicContact CH2-CD2 3.8Å; W798-Y858 AromaticContact CH2-CG 3.83Å; W798-Y858 HydrophobicContact CH2-CG 3.83Å; W798-Y858 HydrophobicContact CZ2-CD2 4.43Å; W798-Y858 HydrophobicContact CZ3-CG 4.44Å; V812-Y858 HydrophobicContact CB-CD1 4.34Å; V812-Y858 HydrophobicContact CB-CE1 4.36Å; V812-Y858 HydrophobicContact CG1-CD1 4.08Å; V812-Y858 HydrophobicContact CG1-CE1 3.72Å; V812-Y858 HydrophobicContact CG2-CD1 3.83Å; V812-Y858 HydrophobicContact CG2-CE1 3.88Å; K856-Y858 HydrophobicContact CB-CE2 3.98Å; K856-Y858 WeakPolarHBondContact O-CD2 3.49Å; K856-Y858 WeakPolarHBondContact O-CE2 3.33Å; Y858-L870 PolarHBondContact N-O 3.43Å; Y858-L870 PolarHBondContact O-N 2.86Å; Y858-A872 HydrophobicContact CD2-CB 3.88Å; Y858-A872 HydrophobicContact CE2-CB 3.38Å; Y858-L1383 HydrophobicContact CE1-CD1 4.47Å; Y858-R1393 PolarHBondContact OH-NH1 3.3Å |
| 859 | L | 59.1 | Low | 46.7 | Very low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.1 | 175.8 | -75.5 | 174.3 | 0 | 0 | 0 | 110.4 | A811 V867 L868 L869 L893 F895 C902 L916 | A811-L859 PolarHBondContact N-O 3.49Å; A811-L859 PolarHBondContact O-N 3.05Å; L859-V867 HydrophobicContact CD2-CG1 3.8Å; L859-L868 VanDerWaalsContact CA-O 3.31Å; L859-L868 WeakPolarHBondContact CA-O 3.42Å; L859-L868 WeakPolarHBondContact CD2-O 3.35Å; L859-L869 HydrophobicContact CD2-CB 3.99Å; L859-L869 HydrophobicContact CD2-CD1 3.7Å; L859-L869 HydrophobicContact CD2-CG 4.48Å; L859-L869 HydrophobicContact CG-CD1 4.21Å; L859-L893 HydrophobicContact CB-CD1 4.02Å; L859-L893 HydrophobicContact CB-CD2 3.27Å; L859-L893 HydrophobicContact CB-CG 4.29Å; L859-L893 HydrophobicContact CD1-CD2 3.74Å; L859-L893 HydrophobicContact CG-CD2 4.13Å; L859-F895 HydrophobicContact CD1-CB 3.78Å; L859-F895 HydrophobicContact CD1-CD1 3.9Å; L859-F895 HydrophobicContact CD1-CD2 3.48Å; L859-F895 VanDerWaalsContact CD1-CD2 3.48Å; L859-F895 HydrophobicContact CD1-CE1 4.36Å; L859-F895 HydrophobicContact CD1-CE2 4Å; L859-F895 HydrophobicContact CD1-CG 3.44Å; L859-F895 VanDerWaalsContact CD1-CG 3.44Å; L859-F895 HydrophobicContact CD1-CZ 4.43Å; L859-F895 HydrophobicContact CG-CD1 4.16Å; L859-F895 HydrophobicContact CG-CD2 4.46Å; L859-F895 HydrophobicContact CG-CE1 4.4Å; L859-F895 HydrophobicContact CG-CG 4.2Å; L859-C902 HydrophobicContact CD1-CB 3.6Å; L859-L916 HydrophobicContact CD1-CD1 4.27Å; L859-L916 HydrophobicContact CD2-CD1 3.68Å |
| 860 | A | 58.4 | Low | 48.3 | Very low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | V807 L810 L868 L870 I1391 | V807-A860 HydrophobicContact CG1-CB 4.48Å; L810-A860 HydrophobicContact CD2-CB 3.7Å; A860-L868 HydrophobicContact CB-CB 4.46Å; A860-L868 PolarHBondContact N-O 3.21Å; A860-L868 PolarHBondContact O-N 2.97Å; A860-L870 HydrophobicContact CB-CD1 4.09Å; A860-I1391 HydrophobicContact CB-CD1 3.76Å |
| 861 | S | 61.1 | Low | 49.7 | Very low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.6 | 174.3 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | V807 T808 C809 R866 V890 | V807-S861 WeakPolarHBondContact CA-O 3.24Å; T808-S861 PolarHBondContact N-O 2.72Å; T808-S861 PolarHBondContact OG1-O 2.88Å; T808-S861 PolarHBondContact OG1-OG 3.06Å; C809-S861 PolarHBondContact N-OG 3.36Å; C809-S861 PolarHBondContact O-N 3.48Å; C809-S861 VanDerWaalsContact O-N 3.17Å; C809-S861 PolarHBondContact SG-OG 3.3Å; S861-R866 VanDerWaalsContact CA-O 3.25Å; S861-R866 WeakPolarHBondContact CA-O 3.49Å; S861-V890 VanDerWaalsContact CB-CG1 3.48Å |
| 862 | T | 60.3 | Low | 50.8 | Low | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 161.7 | 179.2 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | A806 D864 G865 R866 L868 | A806-T862 CarbonylContact O-C 3.3Å; A806-T862 WeakPolarHBondContact O-CA 3.31Å; T862-D864 VanDerWaalsContact CB-OD1 3.28Å; T862-D864 WeakPolarHBondContact CB-OD1 3.45Å; T862-D864 PolarHBondContact O-N 2.91Å; T862-D864 PolarHBondContact OG1-OD1 3.18Å; T862-G865 PolarHBondContact O-N 2.91Å; T862-R866 PolarHBondContact N-O 3.35Å; T862-R866 VanDerWaalsContact N-O 3.09Å; T862-R866 WeakPolarHBondContact OG1-CB 3.44Å; T862-R866 PolarHBondContact OG1-N 2.87Å; T862-L868 HydrophobicContact CG2-CD1 4.04Å |
| 863 | S | 55.8 | Low | 51.6 | Low | 30 Ų | 30 | 45.7 Ų | 45.7 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -6.5 | -178.5 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | Q805 A806 E889 | Q805-S863 VanDerWaalsContact CA-OG 3.3Å; Q805-S863 WeakPolarHBondContact CA-OG 3.22Å; A806-S863 PolarHBondContact N-OG 2.82Å; A806-S863 PolarHBondContact O-N 3.02Å; S863-E889 VanDerWaalsContact O-CA 3.29Å; S863-E889 WeakPolarHBondContact O-CA 3.28Å; S863-E889 VanDerWaalsContact O-CB 3.32Å; S863-E889 WeakPolarHBondContact O-CB 3.28Å |
| 864 | D | 59.5 | Low | 52.3 | Low | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 24.8 | 177.2 | 74.6 | -36.1 | 0 | 0 | 0 | 113 | Q805 T862 R866 Q882 P886 | Q805-D864 VanDerWaalsContact CD-OD2 3.24Å; Q805-D864 HydrophobicContact CG-CB 4.2Å; Q805-D864 VanDerWaalsContact NE2-CB 3.34Å; Q805-D864 PolarHBondContact NE2-OD2 2.89Å; Q805-D864 PolarHBondContact OE1-OD2 3.27Å; T862-D864 VanDerWaalsContact CB-OD1 3.28Å; T862-D864 WeakPolarHBondContact CB-OD1 3.45Å; T862-D864 PolarHBondContact O-N 2.91Å; T862-D864 PolarHBondContact OG1-OD1 3.18Å; D864-R866 PolarHBondContact O-N 3.42Å; D864-R866 IonicContact OD1-CZ 3.82Å; D864-R866 IonicContact OD1-NE 3.38Å; D864-R866 PolarHBondContact OD1-NE 3.4Å; D864-R866 IonicContact OD1-NH2 3.41Å; D864-R866 IonicContact OD2-CZ 3.64Å; D864-R866 IonicContact OD2-NE 3.87Å; D864-R866 PolarHBondContact OD2-NE 2.93Å; D864-R866 IonicContact OD2-NH2 3.25Å; D864-R866 PolarHBondContact OD2-NH2 2.9Å; D864-Q882 PolarHBondContact O-NE2 3.45Å; D864-P886 HydrophobicContact CB-CB 4.33Å; D864-P886 WeakPolarHBondContact O-CA 3.44Å |
| 865 | G | 55 | Low | 52.9 | Low | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 85.1 | 9.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T862 V883 Y884 I888 | T862-G865 PolarHBondContact O-N 2.91Å; G865-V883 PolarHBondContact O-N 2.94Å; G865-Y884 PolarHBondContact O-N 3.4Å; G865-I888 WeakPolarHBondContact CA-O 3.4Å; G865-I888 PolarHBondContact N-O 3Å |
| 866 | R | 57.6 | Low | 52.9 | Low | 48 Ų | 48 | 30.7 Ų | 30.7 | 18% | 0.181 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 153 | 176.6 | -62.6 | -179.2 | -113.7 | 167.9 | -2.5 | 112.9 | S861 T862 D864 L880 Q882 | S861-R866 VanDerWaalsContact CA-O 3.25Å; S861-R866 WeakPolarHBondContact CA-O 3.49Å; T862-R866 PolarHBondContact N-O 3.35Å; T862-R866 VanDerWaalsContact N-O 3.09Å; T862-R866 WeakPolarHBondContact OG1-CB 3.44Å; T862-R866 PolarHBondContact OG1-N 2.87Å; D864-R866 PolarHBondContact O-N 3.42Å; D864-R866 IonicContact OD1-CZ 3.82Å; D864-R866 IonicContact OD1-NE 3.38Å; D864-R866 PolarHBondContact OD1-NE 3.4Å; D864-R866 IonicContact OD1-NH2 3.41Å; D864-R866 IonicContact OD2-CZ 3.64Å; D864-R866 IonicContact OD2-NE 3.87Å; D864-R866 PolarHBondContact OD2-NE 2.93Å; D864-R866 IonicContact OD2-NH2 3.25Å; D864-R866 PolarHBondContact OD2-NH2 2.9Å; R866-L880 HydrophobicContact CB-CD1 4.37Å; R866-L880 HydrophobicContact CG-CD1 4.45Å; R866-Q882 HydrophobicContact CG-CB 4.47Å; R866-Q882 VanDerWaalsContact CG-CD 3.46Å |
| 867 | V | 58.8 | Low | 52.5 | Low | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.8 | 171.2 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L859 H881 V883 L893 T904 L916 | L859-V867 HydrophobicContact CD2-CG1 3.8Å; V867-H881 PolarHBondContact N-O 3.1Å; V867-H881 PolarHBondContact O-N 3.32Å; V867-V883 HydrophobicContact CB-CG2 3.97Å; V867-V883 HydrophobicContact CG2-CG2 3.65Å; V867-L893 HydrophobicContact CB-CD1 4.12Å; V867-L893 HydrophobicContact CG1-CD1 3.47Å; V867-L893 VanDerWaalsContact CG1-CD1 3.47Å; V867-L893 HydrophobicContact CG2-CD1 3.62Å; V867-T904 HydrophobicContact CG2-CG2 3.58Å; V867-L916 HydrophobicContact CG1-CD2 4.42Å |
| 868 | L | 59.5 | Low | 52 | Low | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.6 | -173.4 | -62 | 164.9 | 0 | 0 | 0 | 110.1 | I800 L859 A860 T862 L870 E877 L880 | I800-L868 HydrophobicContact CB-CD1 4.44Å; I800-L868 HydrophobicContact CD1-CD1 3.35Å; I800-L868 HydrophobicContact CG1-CD1 3.79Å; I800-L868 HydrophobicContact CG2-CD1 3.81Å; L859-L868 VanDerWaalsContact CA-O 3.31Å; L859-L868 WeakPolarHBondContact CA-O 3.42Å; L859-L868 WeakPolarHBondContact CD2-O 3.35Å; A860-L868 HydrophobicContact CB-CB 4.46Å; A860-L868 PolarHBondContact N-O 3.21Å; A860-L868 PolarHBondContact O-N 2.97Å; T862-L868 HydrophobicContact CG2-CD1 4.04Å; L868-L870 HydrophobicContact CB-CD2 4.46Å; L868-E877 VanDerWaalsContact CD2-OE1 3.26Å; L868-E877 WeakPolarHBondContact CD2-OE1 3.44Å; L868-L880 HydrophobicContact CD2-CD1 3.16Å; L868-L880 HydrophobicContact CD2-CG 4.37Å; L868-L880 HydrophobicContact CG-CD1 4.29Å |
| 869 | L | 59.5 | Low | 51.3 | Low | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.7 | 173.1 | -176.2 | 68.8 | 0 | 0 | 0 | 110.5 | R857 L859 V878 A879 F895 L916 | R857-L869 HydrophobicContact CB-CD1 3.9Å; R857-L869 HydrophobicContact CG-CD1 4.25Å; L859-L869 HydrophobicContact CD2-CB 3.99Å; L859-L869 HydrophobicContact CD2-CD1 3.7Å; L859-L869 HydrophobicContact CD2-CG 4.48Å; L859-L869 HydrophobicContact CG-CD1 4.21Å; L869-V878 HydrophobicContact CD2-CB 4.16Å; L869-V878 HydrophobicContact CD2-CG1 4.1Å; L869-V878 HydrophobicContact CG-CB 4.31Å; L869-V878 PolarHBondContact O-N 3.46Å; L869-A879 HydrophobicContact CB-CB 4.06Å; L869-A879 HydrophobicContact CD2-CB 4.26Å; L869-A879 PolarHBondContact N-O 2.75Å; L869-A879 PolarHBondContact O-N 3.33Å; L869-F895 HydrophobicContact CD1-CE1 4.35Å; L869-F895 HydrophobicContact CD1-CZ 4.08Å; L869-L916 HydrophobicContact CB-CD1 4.4Å; L869-L916 HydrophobicContact CB-CD2 4.44Å; L869-L916 HydrophobicContact CD1-CD1 4.2Å; L869-L916 HydrophobicContact CD2-CD1 4.45Å |
| 870 | L | 55.2 | Low | 50.7 | Low | 9 Ų | 9 | 32.7 Ų | 32.7 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.9 | -175.3 | -53.9 | 174.1 | 0 | 0 | 0 | 109.1 | W798 R857 Y858 A860 L868 E877 I1391 | W798-L870 HydrophobicContact CD2-CD1 4.01Å; W798-L870 HydrophobicContact CE3-CB 4.47Å; W798-L870 HydrophobicContact CE3-CD1 3.41Å; W798-L870 VanDerWaalsContact CE3-CD1 3.41Å; W798-L870 HydrophobicContact CE3-CG 4.5Å; W798-L870 HydrophobicContact CH2-CB 4.35Å; W798-L870 HydrophobicContact CZ3-CB 4.33Å; W798-L870 HydrophobicContact CZ3-CD1 3.71Å; R857-L870 CarbonylContact C-O 3.52Å; R857-L870 WeakPolarHBondContact CA-O 3.17Å; Y858-L870 PolarHBondContact N-O 3.43Å; Y858-L870 PolarHBondContact O-N 2.86Å; A860-L870 HydrophobicContact CB-CD1 4.09Å; L868-L870 HydrophobicContact CB-CD2 4.46Å; L870-E877 HydrophobicContact CD2-CB 4.45Å; L870-I1391 HydrophobicContact CD1-CD1 4.13Å |
| 871 | D | 50.2 | Low | 50.1 | Low | 16 Ų | 16 | 35.4 Ų | 35.4 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.4 | 175.9 | 170.9 | 27.6 | 0 | 0 | 0 | 110 | N873 S874 G875 Y876 V878 | D871-N873 PolarHBondContact O-N 2.99Å; D871-N873 PolarHBondContact OD1-N 3.48Å; D871-N873 VanDerWaalsContact OD1-N 3.13Å; D871-S874 WeakPolarHBondContact CB-OG 3.32Å; D871-S874 PolarHBondContact O-N 3.28Å; D871-S874 PolarHBondContact O-OG 2.86Å; D871-S874 VanDerWaalsContact OD2-CB 3.31Å; D871-S874 WeakPolarHBondContact OD2-CB 3.42Å; D871-S874 PolarHBondContact OD2-N 2.48Å; D871-S874 PolarHBondContact OD2-OG 2.89Å; D871-G875 PolarHBondContact O-N 2.86Å; D871-Y876 PolarHBondContact N-O 3.3Å; D871-V878 HydrophobicContact CB-CG2 3.34Å |
| 872 | A | 45.5 | Very low | 50.1 | Low | 30 Ų | 30 | 38.1 Ų | 38.1 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W798 K856 Y858 | W798-A872 HydrophobicContact CZ2-CB 4.38Å; K856-A872 HydrophobicContact CB-CB 4.42Å; K856-A872 PolarHBondContact O-N 3.07Å; Y858-A872 HydrophobicContact CD2-CB 3.88Å; Y858-A872 HydrophobicContact CE2-CB 3.38Å |
| 873 | N | 41.7 | Very low | 49.7 | Very low | 107 Ų | 107 | 39 Ų | 39 | 57% | 0.572 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -38 | 179.9 | -70.4 | -12.5 | 0 | 0 | 0 | 111.8 | Y854 D871 | Y854-N873 PolarHBondContact O-ND2 2.66Å; D871-N873 PolarHBondContact O-N 2.99Å; D871-N873 PolarHBondContact OD1-N 3.48Å; D871-N873 VanDerWaalsContact OD1-N 3.13Å |
| 874 | S | 40.5 | Very low | 49.4 | Very low | 48 Ų | 48 | 38.3 Ų | 38.3 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -26 | 179.6 | 71.1 | 0 | 0 | 0 | 0 | 112 | D871 Y876 | D871-S874 WeakPolarHBondContact CB-OG 3.32Å; D871-S874 PolarHBondContact O-N 3.28Å; D871-S874 PolarHBondContact O-OG 2.86Å; D871-S874 VanDerWaalsContact OD2-CB 3.31Å; D871-S874 WeakPolarHBondContact OD2-CB 3.42Å; D871-S874 PolarHBondContact OD2-N 2.48Å; D871-S874 PolarHBondContact OD2-OG 2.89Å; S874-Y876 WeakPolarHBondContact O-CD2 3.48Å; S874-Y876 VanDerWaalsContact O-CE2 3.27Å; S874-Y876 WeakPolarHBondContact O-CE2 2.92Å; S874-Y876 PolarHBondContact O-N 3.06Å; S874-Y876 PolarHBondContact OG-N 2.73Å |
| 875 | G | 39.3 | Very low | 49.1 | Very low | 36 Ų | 36 | 40.7 Ų | 40.7 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | trans | 70.9 | 9.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D871 | D871-G875 PolarHBondContact O-N 2.86Š| ||
| 876 | Y | 36.3 | Very low | 48.9 | Very low | 154 Ų | 154 | 43.9 Ų | 43.9 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -107.2 | 153.1 | -178.5 | -65.9 | -76.2 | 0 | 0 | 0 | 111.7 | D871 S874 V878 | D871-Y876 PolarHBondContact N-O 3.3Å; S874-Y876 WeakPolarHBondContact O-CD2 3.48Å; S874-Y876 VanDerWaalsContact O-CE2 3.27Å; S874-Y876 WeakPolarHBondContact O-CE2 2.92Å; S874-Y876 PolarHBondContact O-N 3.06Å; S874-Y876 PolarHBondContact OG-N 2.73Å; Y876-V878 PolarHBondContact O-N 3.28Å |
| 877 | E | 37.7 | Very low | 48.5 | Very low | 57 Ų | 57 | 50.3 Ų | 50.3 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 115.8 | 160.8 | -174.8 | -177.5 | 170.4 | 0 | 0 | 108.3 | W784 L868 L870 L880 | W784-E877 HydrophobicContact CH2-CB 4.12Å; W784-E877 WeakPolarHBondContact CH2-OE2 3.45Å; W784-E877 HydrophobicContact CZ2-CB 4.46Å; W784-E877 WeakPolarHBondContact CZ2-OE2 3.36Å; L868-E877 VanDerWaalsContact CD2-OE1 3.26Å; L868-E877 WeakPolarHBondContact CD2-OE1 3.44Å; L870-E877 HydrophobicContact CD2-CB 4.45Å; E877-L880 VanDerWaalsContact OE1-CB 3.3Å; E877-L880 WeakPolarHBondContact OE1-CB 3.36Å |
| 878 | V | 43.5 | Very low | 47.8 | Very low | 48 Ų | 48 | 51.8 Ų | 51.8 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -33.5 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | L869 D871 Y876 A919 | L869-V878 HydrophobicContact CD2-CB 4.16Å; L869-V878 HydrophobicContact CD2-CG1 4.1Å; L869-V878 HydrophobicContact CG-CB 4.31Å; L869-V878 PolarHBondContact O-N 3.46Å; D871-V878 HydrophobicContact CB-CG2 3.34Å; Y876-V878 PolarHBondContact O-N 3.28Å; V878-A919 HydrophobicContact CG1-CB 3.37Å |
| 879 | A | 43.9 | Very low | 47.6 | Very low | 8 Ų | 8 | 54.2 Ų | 54.2 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 144.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L869 P917 | L869-A879 HydrophobicContact CB-CB 4.06Å; L869-A879 HydrophobicContact CD2-CB 4.26Å; L869-A879 PolarHBondContact N-O 2.75Å; L869-A879 PolarHBondContact O-N 3.33Å; A879-P917 HydrophobicContact CB-CG 3.64Å |
| 880 | L | 45 | Very low | 47.2 | Very low | 82 Ų | 82 | 54 Ų | 54 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.1 | 167.1 | -177.3 | 86 | 0 | 0 | 0 | 108.4 | R866 L868 E877 | R866-L880 HydrophobicContact CB-CD1 4.37Å; R866-L880 HydrophobicContact CG-CD1 4.45Å; L868-L880 HydrophobicContact CD2-CD1 3.16Å; L868-L880 HydrophobicContact CD2-CG 4.37Å; L868-L880 HydrophobicContact CG-CD1 4.29Å; E877-L880 VanDerWaalsContact OE1-CB 3.3Å; E877-L880 WeakPolarHBondContact OE1-CB 3.36Å |
| 881 | H | 46.5 | Very low | 47 | Very low | 58 Ų | 58 | 59 Ų | 59 | 27% | 0.269 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.5 | 168.3 | -165.7 | 48.2 | 0 | 0 | 0 | 110.5 | V867 V883 S914 L916 | V867-H881 PolarHBondContact N-O 3.1Å; V867-H881 PolarHBondContact O-N 3.32Å; H881-V883 PolarHBondContact O-N 2.74Å; H881-S914 VanDerWaalsContact CD2-CB 3.44Å; H881-S914 WeakPolarHBondContact CD2-CB 3.45Å; H881-S914 PolarHBondContact CD2-OG 2.95Å; H881-L916 HydrophobicContact CB-CD2 3.8Å |
| 882 | Q | 61.6 | Low | 46.9 | Very low | 57 Ų | 57 | 60.6 Ų | 60.6 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 110 | 173.3 | -177.1 | 78.4 | 49.4 | 0 | 0 | 107.7 | D864 R866 Y884 | D864-Q882 PolarHBondContact O-NE2 3.45Å; R866-Q882 HydrophobicContact CG-CB 4.47Å; R866-Q882 VanDerWaalsContact CG-CD 3.46Å; Q882-Y884 WeakPolarHBondContact CG-O 3.37Å; Q882-Y884 PolarHBondContact NE2-O 3.35Å |
| 883 | V | 50.5 | Low | 47.5 | Very low | 20 Ų | 20 | 59.6 Ų | 59.6 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | trans | -96.2 | -32.8 | -172.2 | -170 | 0 | 0 | 0 | 0 | 112.1 | G865 V867 H881 T904 V912 S914 | G865-V883 PolarHBondContact O-N 2.94Å; V867-V883 HydrophobicContact CB-CG2 3.97Å; V867-V883 HydrophobicContact CG2-CG2 3.65Å; H881-V883 PolarHBondContact O-N 2.74Å; V883-T904 HydrophobicContact CB-CG2 4.5Å; V883-T904 HydrophobicContact CG1-CG2 4.25Å; V883-T904 WeakPolarHBondContact CG1-OG1 3.47Å; V883-T904 HydrophobicContact CG2-CG2 4.22Å; V883-V912 HydrophobicContact CG1-CB 3.78Å; V883-V912 HydrophobicContact CG1-CG1 3.64Å; V883-S914 WeakPolarHBondContact CG2-OG 3.42Å | ||
| 884 | Y | 50.5 | Low | 48 | Very low | 15 Ų | 15 | 55.5 Ų | 55.5 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -124.2 | 169.1 | 176 | -59.4 | -86.4 | 0 | 0 | 0 | 111.9 | G865 Q882 I888 V890 T904 C905 G906 S910 V912 | G865-Y884 PolarHBondContact O-N 3.4Å; Q882-Y884 WeakPolarHBondContact CG-O 3.37Å; Q882-Y884 PolarHBondContact NE2-O 3.35Å; Y884-I888 HydrophobicContact CD1-CG2 4.02Å; Y884-I888 HydrophobicContact CG-CB 4.45Å; Y884-I888 HydrophobicContact CG-CG2 3.93Å; Y884-V890 HydrophobicContact CD2-CG2 3.51Å; Y884-V890 HydrophobicContact CE2-CG2 3.82Å; Y884-T904 VanDerWaalsContact CE2-OG1 3.23Å; Y884-T904 WeakPolarHBondContact CE2-OG1 3.41Å; Y884-T904 PolarHBondContact OH-O 2.94Å; Y884-T904 PolarHBondContact OH-OG1 3.04Å; Y884-T904 VanDerWaalsContact OH-OG1 3.12Å; Y884-C905 WeakPolarHBondContact OH-CA 3.27Å; Y884-C905 PolarHBondContact OH-N 3.25Å; Y884-G906 VanDerWaalsContact CZ-N 3.32Å; Y884-G906 PolarHBondContact OH-N 3.49Å; Y884-S910 VanDerWaalsContact CE1-O 3.25Å; Y884-S910 WeakPolarHBondContact CE1-O 3.37Å; Y884-S910 WeakPolarHBondContact CE1-OG 3.36Å; Y884-S910 VanDerWaalsContact CZ-O 3.26Å; Y884-S910 PolarHBondContact OH-O 3.46Å; Y884-V912 HydrophobicContact CD1-CG2 4.37Å; Y884-V912 HydrophobicContact CE1-CB 4.27Å; Y884-V912 HydrophobicContact CE1-CG2 3.48Å; Y884-V912 VanDerWaalsContact CE1-CG2 3.48Å; Y884-V912 PolarHBondContact OH-N 2.62Å |
| 885 | S | 53.2 | Low | 48.8 | Very low | 55 Ų | 55 | 54.2 Ų | 54.2 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | trans | -59.3 | 151.2 | 168.9 | 66.4 | 0 | 0 | 0 | 0 | 110 | E887 I888 | S885-E887 PolarHBondContact O-N 3.41Å; S885-I888 PolarHBondContact O-N 3.08Å; S885-I888 VanDerWaalsContact OG-CD1 3.29Å; S885-I888 WeakPolarHBondContact OG-CD1 3.33Å; S885-I888 WeakPolarHBondContact OG-CG1 3.27Å | ||
| 886 | P | 51.4 | Low | 49.2 | Very low | 67 Ų | 67 | 53.8 Ų | 53.8 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -9.5 | -178.5 | 21.8 | -31.9 | 0 | 0 | 0 | 115.2 | D864 | D864-P886 HydrophobicContact CB-CB 4.33Å; D864-P886 WeakPolarHBondContact O-CA 3.44Å |
| 887 | E | 48.3 | Very low | 49.6 | Very low | 183 Ų | 183 | 48.4 Ų | 48.4 | 86% | 0.855 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -13.2 | 173.8 | -60.8 | 179.5 | 175.5 | 0 | 0 | 113 | S885 | S885-E887 PolarHBondContact O-N 3.41Š|
| 888 | I | 43.2 | Very low | 49.9 | Very low | 31 Ų | 31 | 50.5 Ų | 50.5 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -109.5 | 112.6 | -175 | -61.3 | 168.3 | 0 | 0 | 0 | 109.3 | G865 Y884 S885 | G865-I888 WeakPolarHBondContact CA-O 3.4Å; G865-I888 PolarHBondContact N-O 3Å; Y884-I888 HydrophobicContact CD1-CG2 4.02Å; Y884-I888 HydrophobicContact CG-CB 4.45Å; Y884-I888 HydrophobicContact CG-CG2 3.93Å; S885-I888 PolarHBondContact O-N 3.08Å; S885-I888 VanDerWaalsContact OG-CD1 3.29Å; S885-I888 WeakPolarHBondContact OG-CD1 3.33Å; S885-I888 WeakPolarHBondContact OG-CG1 3.27Å |
| 889 | E | 55.2 | Low | 49.7 | Very low | 53 Ų | 53 | 51.8 Ų | 51.8 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | trans | -76.1 | 128.7 | 178.6 | 169.8 | 168.8 | -174.6 | 0 | 0 | 111.4 | T808 S863 K891 G906 S907 | T808-E889 HydrophobicContact CG2-CG 3.89Å; T808-E889 WeakPolarHBondContact CG2-OE1 3.5Å; S863-E889 VanDerWaalsContact O-CA 3.29Å; S863-E889 WeakPolarHBondContact O-CA 3.28Å; S863-E889 VanDerWaalsContact O-CB 3.32Å; S863-E889 WeakPolarHBondContact O-CB 3.28Å; E889-K891 HydrophobicContact CG-CD 4.01Å; E889-K891 HydrophobicContact CG-CG 4.41Å; E889-K891 PolarHBondContact O-N 3.38Å; E889-K891 WeakPolarHBondContact OE1-CE 3.16Å; E889-K891 IonicContact OE1-NZ 2.88Å; E889-K891 PolarHBondContact OE1-NZ 2.96Å; E889-K891 VanDerWaalsContact OE2-CE 3.25Å; E889-K891 WeakPolarHBondContact OE2-CE 3.36Å; E889-K891 IonicContact OE2-NZ 2.97Å; E889-K891 PolarHBondContact OE2-NZ 3.49Å; E889-G906 CarbonylContact O-C 3.59Å; E889-G906 WeakPolarHBondContact O-CA 3.33Å; E889-S907 PolarHBondContact N-OG 3.13Å; E889-S907 PolarHBondContact O-N 3.34Å | ||
| 890 | V | 53.2 | Low | 49.9 | Very low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 114.6 | 172.3 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | T808 S861 Y884 F892 C905 | T808-V890 WeakPolarHBondContact CB-O 3.48Å; T808-V890 PolarHBondContact OG1-O 3.5Å; S861-V890 VanDerWaalsContact CB-CG1 3.48Å; Y884-V890 HydrophobicContact CD2-CG2 3.51Å; Y884-V890 HydrophobicContact CE2-CG2 3.82Å; V890-F892 WeakPolarHBondContact CG1-O 3.37Å; V890-C905 WeakPolarHBondContact CA-O 3.39Å |
| 891 | K | 50.4 | Low | 49.7 | Very low | 113 Ų | 113 | 52.6 Ų | 52.6 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -22 | 179.7 | -68.8 | -67.2 | -175 | -172.4 | 0 | 112.8 | E889 C905 | E889-K891 HydrophobicContact CG-CD 4.01Å; E889-K891 HydrophobicContact CG-CG 4.41Å; E889-K891 PolarHBondContact O-N 3.38Å; E889-K891 WeakPolarHBondContact OE1-CE 3.16Å; E889-K891 IonicContact OE1-NZ 2.88Å; E889-K891 PolarHBondContact OE1-NZ 2.96Å; E889-K891 VanDerWaalsContact OE2-CE 3.25Å; E889-K891 WeakPolarHBondContact OE2-CE 3.36Å; E889-K891 IonicContact OE2-NZ 2.97Å; E889-K891 PolarHBondContact OE2-NZ 3.49Å; K891-C905 PolarHBondContact N-O 3.26Å |
| 892 | F | 48.6 | Very low | 50.1 | Low | 50 Ų | 50 | 49.9 Ų | 49.9 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.3 | -177.6 | 174.5 | -92.1 | 0 | 0 | 0 | 111.8 | V890 L903 T904 C905 I1070 | V890-F892 WeakPolarHBondContact CG1-O 3.37Å; F892-L903 HydrophobicContact CE1-CD2 4.39Å; F892-T904 WeakPolarHBondContact O-CA 3.42Å; F892-C905 HydrophobicContact CB-CB 4.12Å; F892-C905 PolarHBondContact O-N 3.14Å; F892-I1070 HydrophobicContact CD1-CD1 3.86Å; F892-I1070 HydrophobicContact CE1-CD1 3.93Å; F892-I1070 HydrophobicContact CE2-CB 4.33Å; F892-I1070 HydrophobicContact CG-CD1 4.39Å; F892-I1070 HydrophobicContact CZ-CB 4.24Å |
| 893 | L | 57.9 | Low | 49.3 | Very low | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 127.6 | 178.7 | -174.4 | 149 | 0 | 0 | 0 | 109.6 | C809 A811 L859 V867 L903 | C809-L893 WeakPolarHBondContact SG-CB 3.34Å; C809-L893 PolarHBondContact SG-N 3.47Å; C809-L893 VanDerWaalsContact SG-N 3.45Å; A811-L893 HydrophobicContact CB-CD2 3.35Å; L859-L893 HydrophobicContact CB-CD1 4.02Å; L859-L893 HydrophobicContact CB-CD2 3.27Å; L859-L893 HydrophobicContact CB-CG 4.29Å; L859-L893 HydrophobicContact CD1-CD2 3.74Å; L859-L893 HydrophobicContact CG-CD2 4.13Å; V867-L893 HydrophobicContact CB-CD1 4.12Å; V867-L893 HydrophobicContact CG1-CD1 3.47Å; V867-L893 VanDerWaalsContact CG1-CD1 3.47Å; V867-L893 HydrophobicContact CG2-CD1 3.62Å; L893-L903 WeakPolarHBondContact CA-O 2.99Å |
| 894 | S | 51.4 | Low | 49.3 | Very low | 20 Ų | 20 | 46.4 Ų | 46.4 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.4 | 170.7 | 112.9 | 0 | 0 | 0 | 0 | 110.6 | C902 L903 | S894-C902 WeakPolarHBondContact O-CA 3.2Å; S894-C902 WeakPolarHBondContact O-CB 3.45Å; S894-L903 PolarHBondContact N-O 2.87Å; S894-L903 PolarHBondContact O-N 3.44Å |
| 895 | F | 56.7 | Low | 49.1 | Very low | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.5 | -179.6 | -160.7 | -172 | 0 | 0 | 0 | 109.8 | E813 R857 L859 L869 | E813-F895 HydrophobicContact CB-CD1 3.49Å; E813-F895 VanDerWaalsContact CB-CD1 3.49Å; E813-F895 HydrophobicContact CB-CE1 3.45Å; E813-F895 VanDerWaalsContact CB-CE1 3.45Å; E813-F895 HydrophobicContact CG-CD1 3.78Å; E813-F895 HydrophobicContact CG-CE1 3.54Å; E813-F895 HydrophobicContact CG-CZ 4.17Å; R857-F895 HydrophobicContact CB-CE1 3.89Å; R857-F895 HydrophobicContact CB-CZ 4.41Å; L859-F895 HydrophobicContact CD1-CB 3.78Å; L859-F895 HydrophobicContact CD1-CD1 3.9Å; L859-F895 HydrophobicContact CD1-CD2 3.48Å; L859-F895 VanDerWaalsContact CD1-CD2 3.48Å; L859-F895 HydrophobicContact CD1-CE1 4.36Å; L859-F895 HydrophobicContact CD1-CE2 4Å; L859-F895 HydrophobicContact CD1-CG 3.44Å; L859-F895 VanDerWaalsContact CD1-CG 3.44Å; L859-F895 HydrophobicContact CD1-CZ 4.43Å; L859-F895 HydrophobicContact CG-CD1 4.16Å; L859-F895 HydrophobicContact CG-CD2 4.46Å; L859-F895 HydrophobicContact CG-CE1 4.4Å; L859-F895 HydrophobicContact CG-CG 4.2Å; L869-F895 HydrophobicContact CD1-CE1 4.35Å; L869-F895 HydrophobicContact CD1-CZ 4.08Å |
| 896 | L | 48.6 | Very low | 48.7 | Very low | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | trans | -79.6 | 123.2 | -178.7 | -64.7 | 168.8 | 0 | 0 | 0 | 109.5 | N898 E901 L1076 | L896-N898 PolarHBondContact O-N 3.43Å; L896-E901 HydrophobicContact CD1-CB 4.46Å; L896-E901 PolarHBondContact N-O 2.87Å; L896-L1076 HydrophobicContact CD2-CD2 3.92Å | ||
| 897 | S | 44.6 | Very low | 48.3 | Very low | 41 Ų | 41 | 41.8 Ų | 41.8 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 135 | -176.9 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | V814 N899 | V814-S897 WeakPolarHBondContact O-CB 3.35Å; S897-N899 PolarHBondContact O-N 2.85Å |
| 898 | N | 43.4 | Very low | 48 | Very low | 101 Ų | 101 | 36.5 Ų | 36.5 | 54% | 0.54 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 4.3 | 176.2 | -65.5 | -12.8 | 0 | 0 | 0 | 118.1 | L896 | L896-N898 PolarHBondContact O-N 3.43Š|
| 899 | N | 40.5 | Very low | 47.6 | Very low | 76 Ų | 76 | 35.5 Ų | 35.5 | 41% | 0.406 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -123.3 | 156.2 | 174.6 | -78.5 | -7.2 | 0 | 0 | 0 | 111.5 | S897 E901 | S897-N899 PolarHBondContact O-N 2.85Å; N899-E901 HydrophobicContact CB-CB 4.1Å; N899-E901 HydrophobicContact CB-CG 4.28Å; N899-E901 PolarHBondContact ND2-OE2 3.37Å; N899-E901 PolarHBondContact O-N 3.29Å |
| 900 | T | 46.5 | Very low | 46.8 | Very low | 41 Ų | 41 | 35.2 Ų | 35.2 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -71.3 | 10.8 | 167.7 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | L916 V918 | T900-L916 WeakPolarHBondContact CB-O 3.45Å; T900-L916 WeakPolarHBondContact O-CA 3.47Å; T900-L916 WeakPolarHBondContact O-CB 3.49Å; T900-L916 WeakPolarHBondContact O-CG 3.42Å; T900-L916 PolarHBondContact O-N 3.26Å; T900-L916 PolarHBondContact OG1-O 3.36Å; T900-L916 VanDerWaalsContact OG1-O 3.14Å; T900-V918 HydrophobicContact CG2-CG2 4.41Å |
| 901 | E | 41.9 | Very low | 46 | Very low | 66 Ų | 66 | 37.6 Ų | 37.6 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.6 | -174.4 | -68.7 | 171.6 | 170.6 | 0 | 0 | 111 | L896 N899 I913 S914 T915 | L896-E901 HydrophobicContact CD1-CB 4.46Å; L896-E901 PolarHBondContact N-O 2.87Å; N899-E901 HydrophobicContact CB-CB 4.1Å; N899-E901 HydrophobicContact CB-CG 4.28Å; N899-E901 PolarHBondContact ND2-OE2 3.37Å; N899-E901 PolarHBondContact O-N 3.29Å; E901-I913 HydrophobicContact CB-CG2 4.37Å; E901-S914 WeakPolarHBondContact CA-O 3.11Å; E901-T915 HydrophobicContact CG-CG2 3.59Å |
| 902 | C | 54.7 | Low | 45.6 | Very low | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.5 | 169.6 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | L859 S894 S914 L916 | L859-C902 HydrophobicContact CD1-CB 3.6Å; S894-C902 WeakPolarHBondContact O-CA 3.2Å; S894-C902 WeakPolarHBondContact O-CB 3.45Å; C902-S914 PolarHBondContact N-O 2.98Å; C902-S914 PolarHBondContact O-N 3.27Å; C902-S914 PolarHBondContact SG-OG 3Å; C902-L916 HydrophobicContact CB-CD1 4.46Å |
| 903 | L | 44.8 | Very low | 45.4 | Very low | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.7 | 176.4 | -169.9 | 81.9 | 0 | 0 | 0 | 108 | F892 L893 S894 L911 I913 L1078 | F892-L903 HydrophobicContact CE1-CD2 4.39Å; L893-L903 WeakPolarHBondContact CA-O 2.99Å; S894-L903 PolarHBondContact N-O 2.87Å; S894-L903 PolarHBondContact O-N 3.44Å; L903-L911 HydrophobicContact CD1-CD2 3.34Å; L903-L911 HydrophobicContact CD2-CD2 3.73Å; L903-L911 HydrophobicContact CG-CD2 3.39Å; L903-I913 HydrophobicContact CD1-CD1 4.2Å; L903-I913 HydrophobicContact CD1-CG1 3.4Å; L903-L1078 HydrophobicContact CD2-CD1 4.15Å |
| 904 | T | 50.9 | Low | 44.9 | Very low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154 | 178.9 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | V867 V883 Y884 F892 L911 V912 | V867-T904 HydrophobicContact CG2-CG2 3.58Å; V883-T904 HydrophobicContact CB-CG2 4.5Å; V883-T904 HydrophobicContact CG1-CG2 4.25Å; V883-T904 WeakPolarHBondContact CG1-OG1 3.47Å; V883-T904 HydrophobicContact CG2-CG2 4.22Å; Y884-T904 VanDerWaalsContact CE2-OG1 3.23Å; Y884-T904 WeakPolarHBondContact CE2-OG1 3.41Å; Y884-T904 PolarHBondContact OH-O 2.94Å; Y884-T904 PolarHBondContact OH-OG1 3.04Å; Y884-T904 VanDerWaalsContact OH-OG1 3.12Å; F892-T904 WeakPolarHBondContact O-CA 3.42Å; T904-L911 WeakPolarHBondContact O-CA 3.31Å; T904-V912 PolarHBondContact N-O 2.93Å; T904-V912 PolarHBondContact O-N 3.44Å; T904-V912 PolarHBondContact OG1-O 3.32Å |
| 905 | C | 45.6 | Very low | 44.5 | Very low | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.4 | 169.4 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | Y884 V890 K891 F892 L911 Q1068 | Y884-C905 WeakPolarHBondContact OH-CA 3.27Å; Y884-C905 PolarHBondContact OH-N 3.25Å; V890-C905 WeakPolarHBondContact CA-O 3.39Å; K891-C905 PolarHBondContact N-O 3.26Å; F892-C905 HydrophobicContact CB-CB 4.12Å; F892-C905 PolarHBondContact O-N 3.14Å; C905-L911 HydrophobicContact CB-CG 4.36Å; C905-Q1068 PolarHBondContact SG-OE1 3.31Å; C905-Q1068 VanDerWaalsContact SG-OE1 3.41Å |
| 906 | G | 44.8 | Very low | 44 | Very low | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 167 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y884 E889 N908 G909 S910 | Y884-G906 VanDerWaalsContact CZ-N 3.32Å; Y884-G906 PolarHBondContact OH-N 3.49Å; E889-G906 CarbonylContact O-C 3.59Å; E889-G906 WeakPolarHBondContact O-CA 3.33Å; G906-N908 PolarHBondContact O-N 2.89Å; G906-N908 VanDerWaalsContact O-N 3.16Å; G906-G909 PolarHBondContact O-N 2.95Å; G906-S910 PolarHBondContact N-O 2.87Å |
| 907 | S | 42.9 | Very low | 43.5 | Very low | 34 Ų | 34 | 40.2 Ų | 40.2 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.7 | 175.1 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | E889 G909 | E889-S907 PolarHBondContact N-OG 3.13Å; E889-S907 PolarHBondContact O-N 3.34Å; S907-G909 VanDerWaalsContact C-N 3.3Å |
| 908 | N | 42.9 | Very low | 43.1 | Very low | 72 Ų | 72 | 44 Ų | 44 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.7 | 173.4 | 68.3 | -11.9 | 0 | 0 | 0 | 113.9 | G906 S910 | G906-N908 PolarHBondContact O-N 2.89Å; G906-N908 VanDerWaalsContact O-N 3.16Å; N908-S910 PolarHBondContact ND2-OG 2.98Å; N908-S910 PolarHBondContact O-N 3.47Å; N908-S910 PolarHBondContact OD1-N 3.49Å; N908-S910 PolarHBondContact OD1-OG 3.33Å |
| 909 | G | 33.4 | Very low | 42.7 | Very low | 10 Ų | 10 | 39.8 Ų | 39.8 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | trans | 74.5 | 6.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G906 S907 L911 Q1068 | G906-G909 PolarHBondContact O-N 2.95Å; S907-G909 VanDerWaalsContact C-N 3.3Å; G909-L911 PolarHBondContact O-N 3.04Å; G909-Q1068 PolarHBondContact O-NE2 2.93Å; G909-Q1068 PolarHBondContact O-OE1 2.81Å; G909-Q1068 VanDerWaalsContact O-OE1 3.09Å | ||
| 910 | S | 38.3 | Very low | 42.1 | Very low | 47 Ų | 47 | 44.7 Ų | 44.7 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | trans | -75.8 | 123.6 | 174.3 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | Y884 G906 N908 | Y884-S910 VanDerWaalsContact CE1-O 3.25Å; Y884-S910 WeakPolarHBondContact CE1-O 3.37Å; Y884-S910 WeakPolarHBondContact CE1-OG 3.36Å; Y884-S910 VanDerWaalsContact CZ-O 3.26Å; Y884-S910 PolarHBondContact OH-O 3.46Å; G906-S910 PolarHBondContact N-O 2.87Å; N908-S910 PolarHBondContact ND2-OG 2.98Å; N908-S910 PolarHBondContact O-N 3.47Å; N908-S910 PolarHBondContact OD1-N 3.49Å; N908-S910 PolarHBondContact OD1-OG 3.33Å | ||
| 911 | L | 38.2 | Very low | 41.1 | Very low | 50 Ų | 50 | 50.4 Ų | 50.4 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.1 | -178 | -127 | 151 | 0 | 0 | 0 | 108.9 | L903 T904 C905 G909 I1070 I1080 | L903-L911 HydrophobicContact CD1-CD2 3.34Å; L903-L911 HydrophobicContact CD2-CD2 3.73Å; L903-L911 HydrophobicContact CG-CD2 3.39Å; T904-L911 WeakPolarHBondContact O-CA 3.31Å; C905-L911 HydrophobicContact CB-CG 4.36Å; G909-L911 PolarHBondContact O-N 3.04Å; L911-I1070 HydrophobicContact CD1-CD1 3.96Å; L911-I1080 HydrophobicContact CD1-CD1 3.46Å; L911-I1080 VanDerWaalsContact CD1-CD1 3.46Å; L911-I1080 HydrophobicContact CD1-CG1 4.18Å; L911-I1080 HydrophobicContact CD1-CG2 4.14Å |
| 912 | V | 42.1 | Very low | 40.2 | Very low | 50 Ų | 50 | 55 Ų | 55 | 30% | 0.303 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.6 | -176.3 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | V883 Y884 T904 | V883-V912 HydrophobicContact CG1-CB 3.78Å; V883-V912 HydrophobicContact CG1-CG1 3.64Å; Y884-V912 HydrophobicContact CD1-CG2 4.37Å; Y884-V912 HydrophobicContact CE1-CB 4.27Å; Y884-V912 HydrophobicContact CE1-CG2 3.48Å; Y884-V912 VanDerWaalsContact CE1-CG2 3.48Å; Y884-V912 PolarHBondContact OH-N 2.62Å; T904-V912 PolarHBondContact N-O 2.93Å; T904-V912 PolarHBondContact O-N 3.44Å; T904-V912 PolarHBondContact OG1-O 3.32Å |
| 913 | I | 43.7 | Very low | 38.7 | Very low | 85 Ų | 85 | 60.3 Ų | 60.3 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.3 | 166.2 | -62.7 | 166.7 | 0 | 0 | 0 | 105.9 | E901 L903 L1123 | E901-I913 HydrophobicContact CB-CG2 4.37Å; L903-I913 HydrophobicContact CD1-CD1 4.2Å; L903-I913 HydrophobicContact CD1-CG1 3.4Å; I913-L1123 HydrophobicContact CD1-CD1 4.03Å |
| 914 | S | 46.5 | Very low | 37.6 | Very low | 5 Ų | 5 | 67 Ų | 67 | 4% | 0.035 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.5 | -172.6 | 78.5 | 0 | 0 | 0 | 0 | 110.4 | H881 V883 E901 C902 | H881-S914 VanDerWaalsContact CD2-CB 3.44Å; H881-S914 WeakPolarHBondContact CD2-CB 3.45Å; H881-S914 PolarHBondContact CD2-OG 2.95Å; V883-S914 WeakPolarHBondContact CG2-OG 3.42Å; E901-S914 WeakPolarHBondContact CA-O 3.11Å; C902-S914 PolarHBondContact N-O 2.98Å; C902-S914 PolarHBondContact O-N 3.27Å; C902-S914 PolarHBondContact SG-OG 3Å |
| 915 | T | 44.4 | Very low | 36.2 | Very low | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 112.7 | -179.5 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | E901 | E901-T915 HydrophobicContact CG-CG2 3.59Å |
| 916 | L | 46.3 | Very low | 35.2 | Very low | 3 Ų | 3 | 84.7 Ų | 84.7 | 2% | 0.016 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 144.1 | 171.2 | -62 | 157.3 | 0 | 0 | 0 | 110 | L859 V867 L869 H881 T900 C902 | L859-L916 HydrophobicContact CD1-CD1 4.27Å; L859-L916 HydrophobicContact CD2-CD1 3.68Å; V867-L916 HydrophobicContact CG1-CD2 4.42Å; L869-L916 HydrophobicContact CB-CD1 4.4Å; L869-L916 HydrophobicContact CB-CD2 4.44Å; L869-L916 HydrophobicContact CD1-CD1 4.2Å; L869-L916 HydrophobicContact CD2-CD1 4.45Å; H881-L916 HydrophobicContact CB-CD2 3.8Å; T900-L916 WeakPolarHBondContact CB-O 3.45Å; T900-L916 WeakPolarHBondContact O-CA 3.47Å; T900-L916 WeakPolarHBondContact O-CB 3.49Å; T900-L916 WeakPolarHBondContact O-CG 3.42Å; T900-L916 PolarHBondContact O-N 3.26Å; T900-L916 PolarHBondContact OG1-O 3.36Å; T900-L916 VanDerWaalsContact OG1-O 3.14Å; C902-L916 HydrophobicContact CB-CD1 4.46Å |
| 917 | P | 37.4 | Very low | 34 | Very low | 73 Ų | 73 | 93.8 Ų | 93.8 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 142.5 | 177.4 | 23.2 | -30.5 | 0 | 0 | 0 | 111.6 | A879 A919 | A879-P917 HydrophobicContact CB-CG 3.64Å; P917-A919 PolarHBondContact O-N 2.89Å |
| 918 | V | 36.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 102 Ų | 102 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 119.4 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | T900 E920 | T900-V918 HydrophobicContact CG2-CG2 4.41Å; V918-E920 PolarHBondContact O-N 3.48Å; V918-E920 VanDerWaalsContact O-N 3.08Å |
| 919 | A | 34.1 | Very low | 32.7 | Very low | 14 Ų | 14 | 102.9 Ų | 102.9 | 12% | 0.116 | 54% | 0.541 | C | S | . | . | trans | -61.9 | 109.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V878 P917 E921 | V878-A919 HydrophobicContact CG1-CB 3.37Å; P917-A919 PolarHBondContact O-N 2.89Å; A919-E921 PolarHBondContact O-N 3.4Å | ||
| 920 | E | 27.7 | Very low | 32 | Very low | 178 Ų | 178 | 112.1 Ų | 112.1 | 83% | 0.832 | 57% | 0.574 | S | S | * | * | trans | -47.5 | 126.1 | -177.5 | -77 | -179.2 | 161.4 | 0 | 0 | 111.7 | V918 | V918-E920 PolarHBondContact O-N 3.48Å; V918-E920 VanDerWaalsContact O-N 3.08Å | ||
| 921 | E | 26.1 | Very low | 31.1 | Very low | 162 Ų | 162 | 115.7 Ų | 115.7 | 76% | 0.757 | 59% | 0.589 | S | S | * | * | trans | -77.2 | 120.7 | 170.5 | -90.4 | -176.1 | 151.8 | 0 | 0 | 109.9 | A919 S923 | A919-E921 PolarHBondContact O-N 3.4Å; E921-S923 VanDerWaalsContact C-N 3.32Å; E921-S923 PolarHBondContact O-N 2.98Å | ||
| 922 | I | 23.7 | Very low | 30.5 | Very low | 163 Ų | 163 | 122 Ų | 122 | 84% | 0.836 | 62% | 0.615 | S | S | * | * | trans | -72.5 | 89.4 | 173.7 | -54.8 | 167.9 | 0 | 0 | 0 | 107.1 | ||||
| 923 | S | 21.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 64% | 0.636 | S | S | * | * | trans | -81.4 | 131.9 | 176 | 42.8 | 0 | 0 | 0 | 0 | 110.7 | E921 | E921-S923 VanDerWaalsContact C-N 3.32Å; E921-S923 PolarHBondContact O-N 2.98Å | ||
| 924 | N | 22.3 | Very low | 28.4 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 78% | 0.775 | 65% | 0.649 | S | S | * | * | trans | -88.7 | 149.8 | 174.6 | -71.3 | -35.5 | 0 | 0 | 0 | 109.9 | ||||
| 925 | E | 22.2 | Very low | 27.2 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 96.4 | 102.8 | 164.2 | -54.5 | -166.6 | 169 | 0 | 0 | 118.2 | ||
| 926 | E | 23.3 | Very low | 26.3 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | trans | 50.5 | 94.9 | 141.7 | -59.6 | -169.3 | 164.9 | 0 | 0 | 119.7 | F928 | E926-F928 PolarHBondContact O-N 2.81Š| ||
| 927 | F | 21 | Very low | 25.1 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | trans | -23 | 120.8 | 132.3 | -77 | -101 | 0 | 0 | 0 | 112.6 | ||||
| 928 | F | 24.8 | Very low | 24.5 | Very low | 205 Ų | 205 | 150 Ų | 150 | 90% | 0.899 | 75% | 0.752 | S | S | * | * | -162.7 | 155.1 | 111.1 | -92 | -73.5 | 0 | 0 | 0 | 111.3 | E926 | E926-F928 PolarHBondContact O-N 2.81Š| |||
| 929 | P | 32 | Very low | 23.9 | Very low | 91 Ų | 91 | 151 Ų | 151 | 59% | 0.591 | 75% | 0.753 | S | S | * | * | trans | -104.5 | 157.8 | -161.6 | 37.5 | -29.4 | 0 | 0 | 0 | 114.7 | ||||
| 930 | Y | 19.1 | Very low | 23.3 | Very low | 204 Ų | 204 | 157 Ų | 157 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | 153.4 | 137.7 | 122.7 | -98.8 | -74.8 | 0 | 0 | 0 | 115.3 | |||||
| 931 | D | 20.4 | Very low | 23 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | 64.9 | 110 | 142.1 | -76.2 | -19.6 | 0 | 0 | 0 | 124.5 | ||||
| 932 | K | 24.5 | Very low | 22.7 | Very low | 184 Ų | 184 | 154.6 Ų | 154.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | 59.4 | 119.8 | 116.4 | -99.8 | -179.3 | -176.6 | 179.7 | 0 | 121.1 | |||||
| 933 | I | 20.8 | Very low | 22.6 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | 137.5 | 114.7 | 127.8 | -70.3 | 151.9 | 0 | 0 | 0 | 114.7 | |||||
| 934 | I | 21.4 | Very low | 22.5 | Very low | 138 Ų | 138 | 158 Ų | 158 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | 34.8 | 113 | 135.6 | -48.5 | 171.3 | 0 | 0 | 0 | 118.4 | ||||
| 935 | S | 21 | Very low | 22.4 | Very low | 121 Ų | 121 | 157.8 Ų | 157.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -80.1 | 121.9 | 155 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 936 | N | 24.9 | Very low | 22.3 | Very low | 140 Ų | 140 | 159 Ų | 159 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -119.1 | 151.7 | 161.9 | -95.1 | -8.7 | 0 | 0 | 0 | 109.4 | ||||
| 937 | H | 22.8 | Very low | 22.1 | Very low | 176 Ų | 176 | 159.8 Ų | 159.8 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | 114 | 105.1 | 177.6 | -72.9 | -63.1 | 0 | 0 | 0 | 111.7 | ||||
| 938 | E | 23.8 | Very low | 22.1 | Very low | 164 Ų | 164 | 160.9 Ų | 160.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | 66 | 112.4 | 67.8 | -76.1 | -166.2 | 162.8 | 0 | 0 | 115.2 | |||||
| 939 | N | 24.6 | Very low | 21.9 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 54.3 | 132.4 | 148.6 | -61.6 | -14.3 | 0 | 0 | 0 | 121.6 | ||||
| 940 | D | 21.1 | Very low | 21.3 | Very low | 140 Ų | 140 | 159.5 Ų | 159.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 39.3 | 116.9 | 143.5 | -73.5 | -26.8 | 0 | 0 | 0 | 119.3 | ||||
| 941 | T | 22 | Very low | 21.3 | Very low | 111 Ų | 111 | 159.7 Ų | 159.7 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | trans | 73.4 | 137.1 | 138.6 | 62.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 942 | F | 19.3 | Very low | 21.3 | Very low | 177 Ų | 177 | 160.2 Ų | 160.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 99.5 | 119.4 | 149.2 | -68.9 | -65.7 | 0 | 0 | 0 | 120.9 | ||||
| 943 | H | 21 | Very low | 21.1 | Very low | 163 Ų | 163 | 156.9 Ų | 156.9 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 73.7 | 112.7 | 132.4 | -100.5 | -72.1 | 0 | 0 | 0 | 121.2 | ||||
| 944 | F | 19.7 | Very low | 21.1 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | trans | -28.2 | 130.1 | 142.8 | -80.8 | -98.1 | 0 | 0 | 0 | 113.7 | ||||
| 945 | D | 21.1 | Very low | 21 | Very low | 140 Ų | 140 | 156.4 Ų | 156.4 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | -174.9 | 133.5 | 119.4 | -99.4 | -24.7 | 0 | 0 | 0 | 113.7 | |||||
| 946 | Y | 20.5 | Very low | 21.1 | Very low | 212 Ų | 212 | 157.6 Ų | 157.6 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | 70.5 | 123.2 | 144.1 | -95 | -97.4 | 0 | 0 | 0 | 124.4 | ||||
| 947 | Y | 19.4 | Very low | 21 | Very low | 204 Ų | 204 | 157.6 Ų | 157.6 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -35.1 | 158.4 | 150.1 | -89.1 | -94.9 | 0 | 0 | 0 | 117.1 | ||||
| 948 | R | 19.3 | Very low | 21 | Very low | 219 Ų | 219 | 153.3 Ų | 153.3 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | 92 | 118.9 | 148.8 | -101.7 | -175.4 | 177.6 | 164.1 | 1.6 | 118 | ||||
| 949 | N | 20.8 | Very low | 21 | Very low | 115 Ų | 115 | 154.3 Ų | 154.3 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | 109.2 | 122.1 | 130.8 | -74.2 | -14.3 | 0 | 0 | 0 | 118 | ||||
| 950 | H | 20.4 | Very low | 20.9 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 76.5 | 104.5 | 142.9 | -69.7 | -48.5 | 0 | 0 | 0 | 116.2 | ||||
| 951 | R | 18.4 | Very low | 21 | Very low | 209 Ų | 209 | 148.9 Ų | 148.9 | 79% | 0.789 | 76% | 0.762 | S | S | * | * | 84.8 | 123.4 | 90 | -111.2 | -169.3 | -167.1 | 179.9 | 2.5 | 110.9 | |||||
| 952 | D | 20.7 | Very low | 21 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 85.6 | 119.5 | 148.6 | -54.6 | -29.1 | 0 | 0 | 0 | 118.9 | ||||
| 953 | S | 20.9 | Very low | 21.2 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 91.9 | 98.1 | 137.5 | 68.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 954 | C | 19.4 | Very low | 21.3 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -48.2 | 143.2 | 146 | -47.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 955 | N | 20.5 | Very low | 21.4 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -166.6 | 144.2 | 150 | -104 | -17.6 | 0 | 0 | 0 | 112.2 | ||||
| 956 | L | 22.7 | Very low | 21.5 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 80.4 | 136.5 | 160.7 | -70.4 | 141.3 | 0 | 0 | 0 | 117 | ||||
| 957 | D | 22.8 | Very low | 21.5 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | cis | -154.6 | 138 | 34.3 | -83.7 | -48.8 | 0 | 0 | 0 | 111.1 | ||||
| 958 | A | 23 | Very low | 21.7 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | 87.7 | 115.9 | 67 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 959 | I | 22.7 | Very low | 21.8 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 95% | 0.949 | 75% | 0.748 | S | S | * | * | trans | -179.7 | 127.9 | 146 | -77.1 | 156.5 | 0 | 0 | 0 | 103.6 | ||||
| 960 | G | 23.2 | Very low | 21.9 | Very low | 61 Ų | 61 | 135.1 Ų | 135.1 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | cis | 177.7 | 143.4 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 961 | S | 22.4 | Very low | 22 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 51.1 | 136.1 | 152 | 61.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 962 | D | 22.9 | Very low | 22 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -165.5 | 159 | 13.7 | -95 | -18.8 | 0 | 0 | 0 | 111.3 | ||||
| 963 | D | 23.7 | Very low | 22.1 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | 84.7 | 100.6 | 150.2 | -58 | -14.3 | 0 | 0 | 0 | 123.1 | ||||
| 964 | D | 22.9 | Very low | 22.1 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | 82.4 | 100.2 | 116.4 | -63.5 | -10.2 | 0 | 0 | 0 | 122.1 | |||||
| 965 | D | 21.7 | Very low | 22.1 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | 107.2 | 138.7 | 107.8 | -94.4 | -16.5 | 0 | 0 | 0 | 121.9 | |||||
| 966 | V | 23.9 | Very low | 22.1 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 91.6 | 84 | 161 | -156.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 967 | S | 20.2 | Very low | 22 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -39.9 | 146.8 | 146.8 | 56.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 968 | I | 24.3 | Very low | 22.1 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | -150.5 | 121.7 | 134.4 | -87.6 | 135.9 | 0 | 0 | 0 | 108.7 | ||||
| 969 | N | 20.4 | Very low | 21.9 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -81.7 | 171.4 | 172.3 | -91.7 | -32.1 | 0 | 0 | 0 | 112.4 | ||||
| 970 | N | 23 | Very low | 21.8 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | 95.6 | 130.4 | 164.4 | -51.2 | -25.4 | 0 | 0 | 0 | 114 | ||||
| 971 | G | 21.5 | Very low | 21.8 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | cis | 141.3 | 125 | 13.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 972 | F | 20.3 | Very low | 21.6 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | trans | 67.6 | 131.9 | 143.3 | -85.6 | -63.4 | 0 | 0 | 0 | 124.3 | ||||
| 973 | I | 21.2 | Very low | 21.5 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 67% | 0.672 | 77% | 0.768 | S | S | * | * | 94 | 116.9 | 129.4 | -65.9 | 166.8 | 0 | 0 | 0 | 122.2 | |||||
| 974 | D | 20.9 | Very low | 21.3 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 51.4 | 122.3 | 135 | -64.9 | -21.4 | 0 | 0 | 0 | 126 | ||||
| 975 | S | 20.6 | Very low | 21.1 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | 83.4 | 142 | 120.4 | 79.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 976 | K | 20.8 | Very low | 21 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | 107.9 | 114.5 | 146.4 | -68.2 | -174.5 | 176.9 | 174 | 0 | 120.6 | ||||
| 977 | H | 20.5 | Very low | 20.8 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | 51.9 | 135.7 | 131.2 | -65.5 | -66.6 | 0 | 0 | 0 | 122.3 | ||||
| 978 | V | 23.3 | Very low | 20.8 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | -179.6 | 138.2 | 113.4 | 157.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 979 | S | 19.4 | Very low | 20.5 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -97.7 | 146.2 | 177.7 | 50.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 980 | Q | 21.4 | Very low | 20.5 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -148.3 | 140.7 | 158.5 | -73.2 | -167.6 | -15 | 0 | 0 | 113.2 | ||||
| 981 | H | 21.6 | Very low | 20.4 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -101.5 | 159.8 | -175.3 | -83.9 | -84.2 | 0 | 0 | 0 | 113 | ||||
| 982 | S | 20 | Very low | 20.3 | Very low | 101 Ų | 101 | 155 Ų | 155 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 138.7 | 123.7 | 122 | 73.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 983 | T | 20.2 | Very low | 20.2 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 62.3 | 151.4 | 137.3 | 57.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 984 | R | 19 | Very low | 20.1 | Very low | 216 Ų | 216 | 151.2 Ų | 151.2 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | cis | 178.6 | 156.2 | -22.8 | -154.1 | -169.7 | -176.7 | 169.7 | 1.1 | 107 | ||||
| 985 | E | 19.5 | Very low | 20.1 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | 76.4 | 154 | 159.5 | -60.4 | 176.4 | -169.2 | 0 | 0 | 120.4 | ||||
| 986 | N | 19.8 | Very low | 20 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | -176.7 | 134.1 | -46.5 | -121.1 | -4.6 | 0 | 0 | 0 | 107.3 | ||||
| 987 | I | 19.2 | Very low | 20 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 65% | 0.651 | 78% | 0.782 | S | S | * | * | trans | 70.5 | 118.6 | 142 | -56.3 | 163.7 | 0 | 0 | 0 | 120.6 | ||||
| 988 | N | 20 | Very low | 20 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 165.8 | 146.6 | 104.3 | -111.2 | -20.6 | 0 | 0 | 0 | 115.6 | |||||
| 989 | M | 18.1 | Very low | 19.8 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -79.8 | 157.5 | 179.3 | -59 | -173.6 | -70.6 | 0 | 0 | 114.7 | ||||
| 990 | Y | 20.4 | Very low | 20 | Very low | 229 Ų | 229 | 149.1 Ų | 149.1 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -171.4 | 117.3 | 146.1 | -92.4 | -75.1 | 0 | 0 | 0 | 107.8 | ||||
| 991 | L | 20.7 | Very low | 20 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | 74.9 | 116.1 | 81.2 | -140.3 | 101.5 | 0 | 0 | 0 | 116.9 | |||||
| 992 | E | 18.7 | Very low | 20 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | 61.7 | 140.1 | 145.3 | -81 | 173.4 | -168.1 | 0 | 0 | 125.1 | ||||
| 993 | S | 20 | Very low | 20.1 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 96.7 | 113.3 | 147.3 | 73.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 994 | N | 18.4 | Very low | 20.2 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 54.8 | 128.9 | 132.6 | -68.7 | 2.8 | 0 | 0 | 0 | 123.7 | ||||
| 995 | D | 19.9 | Very low | 20.3 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 78 | 143.5 | 138.3 | -64.4 | -30.1 | 0 | 0 | 0 | 121.6 | ||||
| 996 | S | 20.2 | Very low | 20.3 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 83.2 | 103.2 | 154.5 | 68 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 997 | E | 19.1 | Very low | 20.3 | Very low | 180 Ų | 180 | 157.5 Ų | 157.5 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | 59.8 | 116.2 | 119.5 | -70.1 | -172.8 | 166 | 0 | 0 | 121.3 | |||||
| 998 | V | 20.3 | Very low | 20.5 | Very low | 119 Ų | 119 | 161.5 Ų | 161.5 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | 85.2 | 113.7 | 125.4 | -179.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 999 | S | 20.7 | Very low | 20.5 | Very low | 98 Ų | 98 | 164.2 Ų | 164.2 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | trans | 72.9 | 122.6 | 144.5 | 73.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1000 | T | 23.1 | Very low | 20.7 | Very low | 142 Ų | 142 | 161.9 Ų | 161.9 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | -171.1 | 122.6 | 118.5 | 22.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1001 | E | 20.2 | Very low | 20.7 | Very low | 205 Ų | 205 | 156.1 Ų | 156.1 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | -61.8 | 130.7 | 172.4 | -65.7 | 173.9 | 138.7 | 0 | 0 | 110.6 | ||||
| 1002 | G | 23.1 | Very low | 20.8 | Very low | 71 Ų | 71 | 157.5 Ų | 157.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -142.2 | 86 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | I1004 | G1002-I1004 PolarHBondContact O-N 2.78Å; G1002-I1004 VanDerWaalsContact O-N 3.17Å | ||
| 1003 | T | 20.5 | Very low | 20.9 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -67.8 | 102.2 | 173.3 | 33.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1004 | I | 22.5 | Very low | 20.9 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -121.1 | 113.1 | 166.1 | -60.4 | -179 | 0 | 0 | 0 | 110.4 | G1002 R1006 | G1002-I1004 PolarHBondContact O-N 2.78Å; G1002-I1004 VanDerWaalsContact O-N 3.17Å; I1004-R1006 PolarHBondContact O-N 3.26Å | ||
| 1005 | R | 21.2 | Very low | 21.1 | Very low | 235 Ų | 235 | 153.7 Ų | 153.7 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -10.4 | 118.5 | 159.5 | -76.2 | 174.5 | 167.9 | 173.7 | -4.5 | 114.6 | R1007 | R1005-R1007 VanDerWaalsContact C-N 3.35Å; R1005-R1007 PolarHBondContact O-N 3.37Å | ||
| 1006 | R | 20.6 | Very low | 21.2 | Very low | 256 Ų | 256 | 152.9 Ų | 152.9 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | trans | -35.7 | 95.9 | 146.2 | -74.5 | 178.8 | 172.9 | 177.3 | -2.8 | 110.5 | I1004 | I1004-R1006 PolarHBondContact O-N 3.26Š| ||
| 1007 | R | 20.4 | Very low | 21.3 | Very low | 225 Ų | 225 | 158.3 Ų | 158.3 | 85% | 0.849 | 81% | 0.811 | S | S | * | * | trans | -111.8 | 115.1 | 147.4 | -100.1 | -175.9 | 174.1 | 174.5 | -1.9 | 106 | R1005 R1009 | R1005-R1007 VanDerWaalsContact C-N 3.35Å; R1005-R1007 PolarHBondContact O-N 3.37Å; R1007-R1009 VanDerWaalsContact C-N 3.35Å; R1007-R1009 PolarHBondContact O-N 3.45Å | ||
| 1008 | K | 22.7 | Very low | 21.4 | Very low | 212 Ų | 212 | 157.2 Ų | 157.2 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | trans | -46.3 | 98.6 | 167 | -70.4 | 176.4 | 174.4 | 179.9 | 0 | 108.7 | ||||
| 1009 | R | 19.9 | Very low | 21.5 | Very low | 209 Ų | 209 | 157 Ų | 157 | 79% | 0.789 | 81% | 0.814 | S | S | * | * | trans | -137.5 | 102.5 | 159 | -81.6 | -175.3 | 172 | 177.5 | -4.4 | 103.6 | R1007 T1011 | R1007-R1009 VanDerWaalsContact C-N 3.35Å; R1007-R1009 PolarHBondContact O-N 3.45Å; R1009-T1011 VanDerWaalsContact C-N 3.33Å; R1009-T1011 PolarHBondContact O-N 2.97Å | ||
| 1010 | S | 22.2 | Very low | 21.6 | Very low | 115 Ų | 115 | 157.8 Ų | 157.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | 48.8 | 53.7 | 75.5 | 82.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1011 | T | 20 | Very low | 21.7 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -144.4 | 98.6 | 156.5 | 44 | 0 | 0 | 0 | 0 | 104.6 | R1009 V1013 | R1009-T1011 VanDerWaalsContact C-N 3.33Å; R1009-T1011 PolarHBondContact O-N 2.97Å; T1011-V1013 PolarHBondContact O-N 2.62Å | ||
| 1012 | I | 22.5 | Very low | 21.8 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | 38.2 | 87.1 | 101.1 | -55 | 175.2 | 0 | 0 | 0 | 109.5 | |||||
| 1013 | V | 20.7 | Very low | 21.8 | Very low | 127 Ų | 127 | 153.4 Ų | 153.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -110.7 | 105.8 | 144.7 | 177.7 | 0 | 0 | 0 | 0 | 104.1 | T1011 P1015 | T1011-V1013 PolarHBondContact O-N 2.62Å; V1013-P1015 WeakPolarHBondContact O-CD 3.44Å; V1013-P1015 VanDerWaalsContact O-N 3.13Å | ||
| 1014 | S | 21.9 | Very low | 21.9 | Very low | 90 Ų | 90 | 151.5 Ų | 151.5 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -42.9 | 109.1 | 166.1 | 44.9 | 0 | 0 | 0 | 0 | 110.1 | V1016 | S1014-V1016 PolarHBondContact O-N 3.48Š| ||
| 1015 | P | 22.1 | Very low | 22 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -79.4 | 110.4 | 169.2 | 9.8 | 7.7 | 0 | 0 | 0 | 106.4 | V1013 | V1013-P1015 WeakPolarHBondContact O-CD 3.44Å; V1013-P1015 VanDerWaalsContact O-N 3.13Å | ||
| 1016 | V | 20.8 | Very low | 22 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -50.5 | 134.4 | 169.1 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | S1014 D1018 | S1014-V1016 PolarHBondContact O-N 3.48Å; V1016-D1018 PolarHBondContact O-N 3.17Å | ||
| 1017 | Y | 23.7 | Very low | 22.3 | Very low | 219 Ų | 219 | 134.9 Ų | 134.9 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | trans | -54.5 | 113.2 | 175.8 | -66.9 | -98.6 | 0 | 0 | 0 | 110.9 | ||||
| 1018 | D | 20.9 | Very low | 22.5 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -140.2 | 128.1 | 155.3 | -101.2 | -31.1 | 0 | 0 | 0 | 109.9 | V1016 | V1016-D1018 PolarHBondContact O-N 3.17Š| ||
| 1019 | S | 22.9 | Very low | 22.6 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 120.7 | -166.8 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1020 | S | 23 | Very low | 22.7 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 133.2 | 177.9 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1021 | P | 23.9 | Very low | 22.9 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 53% | 0.526 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -88.8 | 152 | -179.1 | 29.6 | -22.5 | 0 | 0 | 0 | 114.2 | ||
| 1022 | I | 23.3 | Very low | 23 | Very low | 121 Ų | 121 | 115 Ų | 115 | 62% | 0.621 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 116.9 | -178.6 | -65.5 | 161.2 | 0 | 0 | 0 | 108.3 | ||
| 1023 | D | 22.1 | Very low | 23.4 | Very low | 124 Ų | 124 | 114.3 Ų | 114.3 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | trans | -77.9 | 178.1 | 167.5 | -90.4 | -42.2 | 0 | 0 | 0 | 110.8 | C669 | C669-D1023 WeakPolarHBondContact CB-O 3.44Å; C669-D1023 WeakPolarHBondContact SG-CA 3.27Å; C669-D1023 WeakPolarHBondContact SG-CB 3Å; C669-D1023 PolarHBondContact SG-O 2.81Å | ||
| 1024 | V | 22.8 | Very low | 23.7 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 65% | 0.648 | 66% | 0.664 | S | S | * | * | trans | -146.1 | 118.2 | 162.1 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | C669 | C669-V1024 HydrophobicContact CB-CB 4.24Å; C669-V1024 HydrophobicContact CB-CG2 4.16Å; C669-V1024 WeakPolarHBondContact SG-CA 3.46Å; C669-V1024 PolarHBondContact SG-N 2.71Å | ||
| 1025 | P | 24.1 | Very low | 23.6 | Very low | 84 Ų | 84 | 120.1 Ų | 120.1 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | trans | -115.9 | 146.3 | 163.6 | 38.2 | -31.8 | 0 | 0 | 0 | 114 | P668 C669 | P668-P1025 VanDerWaalsContact O-CD 3.27Å; P668-P1025 WeakPolarHBondContact O-CD 3.46Å; P668-P1025 VanDerWaalsContact O-CG 3.27Å; P668-P1025 WeakPolarHBondContact O-CG 3.31Å; C669-P1025 VanDerWaalsContact CB-CD 3.45Å; C669-P1025 WeakPolarHBondContact SG-CD 3.31Å | ||
| 1026 | T | 23 | Very low | 23.5 | Very low | 109 Ų | 109 | 120 Ų | 120 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | trans | -107.8 | 146.7 | 174.7 | 40.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1027 | P | 25.3 | Very low | 23.5 | Very low | 107 Ų | 107 | 121 Ų | 121 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | trans | -107.2 | 155.6 | -170.7 | 38.2 | -29.3 | 0 | 0 | 0 | 114.5 | ||||
| 1028 | I | 24.8 | Very low | 23.3 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 52% | 0.523 | 68% | 0.678 | S | S | . | * | trans | -132.8 | 147.2 | 166.3 | -71.5 | 176.1 | 0 | 0 | 0 | 109.8 | I620 | I620-I1028 HydrophobicContact CD1-CD1 4.17Š| ||
| 1029 | V | 24.5 | Very low | 23.4 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 56% | 0.558 | 68% | 0.681 | S | S | * | * | trans | -81.6 | 147.9 | -176.7 | 173.7 | 0 | 0 | 0 | 0 | 112.8 | F785 | F785-V1029 HydrophobicContact CD1-CG2 4.38Å; F785-V1029 HydrophobicContact CE1-CG2 4.07Å; F785-V1029 HydrophobicContact CZ-CG2 4.45Å | ||
| 1030 | L | 23.4 | Very low | 23.3 | Very low | 83 Ų | 83 | 118.7 Ų | 118.7 | 44% | 0.435 | 67% | 0.672 | S | S | . | * | trans | -156.5 | 156.8 | 154.1 | -96.6 | -168.4 | 0 | 0 | 0 | 112.1 | Q647 T648 | Q647-L1030 HydrophobicContact CB-CD1 3.26Å; Q647-L1030 HydrophobicContact CB-CG 3.87Å; Q647-L1030 HydrophobicContact CG-CD1 4.2Å; Q647-L1030 VanDerWaalsContact OE1-CD1 3.31Å; T648-L1030 HydrophobicContact CG2-CD1 3.83Å | ||
| 1031 | A | 25 | Very low | 23.1 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -118.4 | 156.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1032 | D | 22.3 | Very low | 23 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 52% | 0.524 | 69% | 0.691 | S | S | . | * | trans | -179.8 | 122.3 | 137.1 | -98.6 | -10 | 0 | 0 | 0 | 112.6 | R644 | R644-D1032 IonicContact CZ-OD2 3.43Å; R644-D1032 IonicContact NH1-OD2 2.7Å; R644-D1032 PolarHBondContact NH1-OD2 2.73Å; R644-D1032 IonicContact NH2-OD2 3.66Å; R644-D1032 PolarHBondContact NH2-OD2 3.12Å | ||
| 1033 | L | 30.2 | Very low | 23 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | 60.8 | 168.3 | 131.9 | -70 | 162.8 | 0 | 0 | 0 | 122.1 | ||||
| 1034 | P | 27.6 | Very low | 23.1 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -149.2 | -177.1 | -26.3 | 41.1 | -19.5 | 0 | 0 | 0 | 119 | ||||
| 1035 | R | 19.2 | Very low | 23 | Very low | 237 Ų | 237 | 129.7 Ų | 129.7 | 89% | 0.894 | 71% | 0.706 | S | S | * | * | trans | 66.8 | 109 | 156.4 | -50.4 | -162.2 | 176.5 | 170.6 | -2.7 | 121.7 | ||||
| 1036 | L | 21.5 | Very low | 22.9 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | 64.3 | 109.7 | 61.4 | -80.6 | 161.5 | 0 | 0 | 0 | 117.1 | |||||
| 1037 | T | 20 | Very low | 22.9 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | trans | -141.6 | 144.3 | 159.3 | 36.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1038 | E | 20.5 | Very low | 22.7 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -66.1 | 156.8 | -173.9 | -65.8 | 166.5 | 119 | 0 | 0 | 115.6 | ||||
| 1039 | L | 21.2 | Very low | 22.6 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -142.6 | 107.9 | 161.5 | -104.8 | 158.7 | 0 | 0 | 0 | 112.7 | ||||
| 1040 | A | 21.1 | Very low | 23.1 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | trans | 60.2 | 108.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1041 | R | 19.9 | Very low | 23.8 | Very low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -46.1 | 130.1 | 138.8 | -81.6 | 177.3 | 166.1 | 122.4 | -2.1 | 109.7 | ||||
| 1042 | V | 21.8 | Very low | 23.7 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -100.7 | 115.2 | 163.7 | 175.4 | 0 | 0 | 0 | 0 | 107.8 | N1044 | V1042-N1044 PolarHBondContact O-N 3.42Š| ||
| 1043 | D | 22 | Very low | 23.6 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | -60.4 | 114.9 | -177.9 | -62.9 | -53.8 | 0 | 0 | 0 | 112.2 | T1045 | D1043-T1045 VanDerWaalsContact C-N 3.27Å; D1043-T1045 HydrophobicContact CB-CG2 4.33Å; D1043-T1045 PolarHBondContact O-N 3.1Å | ||
| 1044 | N | 24.3 | Very low | 23.4 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -76.6 | 90.9 | 155.9 | -86.8 | -11.7 | 0 | 0 | 0 | 108.1 | V1042 | V1042-N1044 PolarHBondContact O-N 3.42Š| ||
| 1045 | T | 21.1 | Very low | 23.1 | Very low | 108 Ų | 108 | 149.1 Ų | 149.1 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | trans | -62.3 | 146.6 | 166.2 | 53.7 | 0 | 0 | 0 | 0 | 111 | D1043 | D1043-T1045 VanDerWaalsContact C-N 3.27Å; D1043-T1045 HydrophobicContact CB-CG2 4.33Å; D1043-T1045 PolarHBondContact O-N 3.1Å | ||
| 1046 | Q | 22.8 | Very low | 23.7 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 77.2 | 88 | 163.5 | -50.9 | -176.5 | 16.7 | 0 | 0 | 117.6 | ||||
| 1047 | T | 23.2 | Very low | 23.6 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | -166.4 | 104.6 | 122.6 | 41.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1048 | T | 21.2 | Very low | 23.8 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | 39.8 | 103.4 | 145.2 | 53.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1049 | T | 21.1 | Very low | 23.8 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -54.5 | 158.4 | 153.8 | 40.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1050 | P | 35.9 | Very low | 23.9 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -151.8 | -160.3 | 49.5 | 50 | -27.6 | 0 | 0 | 0 | 114.8 | ||||
| 1051 | P | 37.3 | Very low | 24 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | -121.5 | 149.4 | -111.8 | 32.4 | -10.8 | 0 | 0 | 0 | 115.7 | |||||
| 1052 | I | 23.7 | Very low | 24.2 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | -136.2 | 124.7 | 155.2 | -58.7 | -179.1 | 0 | 0 | 0 | 109.9 | ||||
| 1053 | T | 20.6 | Very low | 24.2 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -73.7 | 133 | 179.3 | 45.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1054 | S | 25.3 | Very low | 24.2 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -176.2 | 137.3 | 132.3 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1055 | Q | 22.5 | Very low | 24.3 | Very low | 183 Ų | 183 | 130.5 Ų | 130.5 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -67.9 | 144 | -173.6 | -71.8 | 172.5 | -37.9 | 0 | 0 | 112.7 | ||||
| 1056 | P | 30.9 | Very low | 24.4 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | -88.9 | 130.6 | 170.4 | 34.7 | -27.9 | 0 | 0 | 0 | 109.7 | ||||
| 1057 | N | 20.2 | Very low | 24.6 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -164.6 | 97.7 | 163.9 | -92.7 | -20.7 | 0 | 0 | 0 | 107.7 | ||||
| 1058 | E | 22.3 | Very low | 24.8 | Very low | 197 Ų | 197 | 119.1 Ų | 119.1 | 92% | 0.921 | 69% | 0.691 | S | S | * | * | -179 | 129 | 125.2 | -99.1 | 175.2 | -176.9 | 0 | 0 | 109.1 | |||||
| 1059 | V | 22.3 | Very low | 25.3 | Very low | 149 Ų | 149 | 113.8 Ų | 113.8 | 90% | 0.903 | 66% | 0.659 | S | S | * | * | trans | -92.4 | 120.2 | -172 | 170.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1060 | S | 22.2 | Very low | 25.7 | Very low | 105 Ų | 105 | 108.6 Ų | 108.6 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | trans | -157.3 | 99.5 | 153.9 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1061 | S | 24.1 | Very low | 25.5 | Very low | 105 Ų | 105 | 104.3 Ų | 104.3 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | trans | 18.8 | 103.4 | 143.5 | 57.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1062 | D | 22.5 | Very low | 25.3 | Very low | 138 Ų | 138 | 102.8 Ų | 102.8 | 74% | 0.738 | 59% | 0.593 | S | S | * | * | trans | -152.6 | 90.4 | 137.4 | -94.1 | -25.7 | 0 | 0 | 0 | 106.1 | T1064 | D1062-T1064 PolarHBondContact O-N 3.33Š| ||
| 1063 | S | 22.1 | Very low | 25.7 | Very low | 98 Ų | 98 | 99 Ų | 99 | 69% | 0.685 | 57% | 0.574 | S | S | * | * | trans | -73.4 | 81.3 | 175.6 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | Y1065 | S1063-Y1065 WeakPolarHBondContact O-CD1 3.26Å; S1063-Y1065 PolarHBondContact O-N 3.27Å | ||
| 1064 | T | 21.9 | Very low | 26.4 | Very low | 98 Ų | 98 | 98.6 Ų | 98.6 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | trans | -67.2 | 121.2 | 165.5 | 48.1 | 0 | 0 | 0 | 0 | 108.1 | D1062 | D1062-T1064 PolarHBondContact O-N 3.33Š| ||
| 1065 | Y | 26.7 | Very low | 26.8 | Very low | 57 Ų | 57 | 96.4 Ų | 96.4 | 22% | 0.224 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.3 | 179.2 | 50.1 | -95.7 | 0 | 0 | 0 | 110.4 | S1063 L1067 E1084 G1085 L1087 | S1063-Y1065 WeakPolarHBondContact O-CD1 3.26Å; S1063-Y1065 PolarHBondContact O-N 3.27Å; Y1065-L1067 HydrophobicContact CD2-CG 4.42Å; Y1065-L1067 HydrophobicContact CE2-CD1 4.36Å; Y1065-L1067 HydrophobicContact CE2-CG 4.35Å; Y1065-E1084 CarbonylContact O-C 3.54Å; Y1065-E1084 WeakPolarHBondContact O-CA 3.43Å; Y1065-G1085 WeakPolarHBondContact CE1-O 3.45Å; Y1065-G1085 PolarHBondContact N-O 3.36Å; Y1065-G1085 VanDerWaalsContact N-O 3.08Å; Y1065-G1085 PolarHBondContact O-N 3.23Å; Y1065-L1087 HydrophobicContact CE1-CB 4.19Å; Y1065-L1087 HydrophobicContact CE1-CD1 4.1Å; Y1065-L1087 HydrophobicContact CE1-CG 4.48Å; Y1065-L1087 WeakPolarHBondContact OH-CA 3.38Å; Y1065-L1087 VanDerWaalsContact OH-CB 3.29Å; Y1065-L1087 WeakPolarHBondContact OH-CB 3.1Å; Y1065-L1087 VanDerWaalsContact OH-CD1 3.24Å; Y1065-L1087 WeakPolarHBondContact OH-CD1 3.15Å; Y1065-L1087 WeakPolarHBondContact OH-CG 3.31Å; Y1065-L1087 PolarHBondContact OH-N 3.33Å; Y1065-L1087 VanDerWaalsContact OH-N 3.07Å |
| 1066 | Q | 23.8 | Very low | 27.7 | Very low | 73 Ų | 73 | 90.9 Ų | 90.9 | 34% | 0.341 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 103.1 | 178.1 | -86.4 | 179.7 | -4.4 | 0 | 0 | 110.4 | Q1068 G1083 E1084 | Q1066-Q1068 PolarHBondContact O-N 3Å; Q1066-G1083 CarbonylContact C-O 3.41Å; Q1066-G1083 VanDerWaalsContact C-O 3.3Å; Q1066-G1083 WeakPolarHBondContact CA-O 3.45Å; Q1066-E1084 HydrophobicContact CG-CB 4.34Å; Q1066-E1084 HydrophobicContact CG-CG 3.37Å; Q1066-E1084 PolarHBondContact NE2-OE1 2.98Å |
| 1067 | L | 27.1 | Very low | 27.8 | Very low | 63 Ų | 63 | 89.3 Ų | 89.3 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 123.8 | 170.1 | -81.8 | 151.9 | 0 | 0 | 0 | 110.9 | Y1065 T1082 G1083 V1153 | Y1065-L1067 HydrophobicContact CD2-CG 4.42Å; Y1065-L1067 HydrophobicContact CE2-CD1 4.36Å; Y1065-L1067 HydrophobicContact CE2-CG 4.35Å; L1067-T1082 CarbonylContact O-C 3.6Å; L1067-T1082 VanDerWaalsContact O-CA 3.27Å; L1067-T1082 WeakPolarHBondContact O-CA 3.4Å; L1067-G1083 WeakPolarHBondContact CB-O 3.44Å; L1067-G1083 PolarHBondContact N-O 3.01Å; L1067-G1083 PolarHBondContact O-N 3.19Å; L1067-V1153 WeakPolarHBondContact CD1-O 3.4Å |
| 1068 | Q | 26.8 | Very low | 28.8 | Very low | 43 Ų | 43 | 82.1 Ų | 82.1 | 20% | 0.201 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.2 | 173.7 | -51.3 | -166.7 | -16.2 | 0 | 0 | 113.2 | C905 G909 Q1066 I1080 M1081 T1082 | C905-Q1068 PolarHBondContact SG-OE1 3.31Å; C905-Q1068 VanDerWaalsContact SG-OE1 3.41Å; G909-Q1068 PolarHBondContact O-NE2 2.93Å; G909-Q1068 PolarHBondContact O-OE1 2.81Å; G909-Q1068 VanDerWaalsContact O-OE1 3.09Å; Q1066-Q1068 PolarHBondContact O-N 3Å; Q1068-I1080 HydrophobicContact CB-CG2 4.41Å; Q1068-M1081 CarbonylContact C-O 3.49Å; Q1068-M1081 VanDerWaalsContact C-O 3.32Å; Q1068-M1081 WeakPolarHBondContact CA-O 3.27Å; Q1068-M1081 WeakPolarHBondContact CB-O 3.48Å; Q1068-T1082 HydrophobicContact CB-CG2 4.2Å; Q1068-T1082 HydrophobicContact CG-CG2 3.5Å; Q1068-T1082 VanDerWaalsContact CG-CG2 3.5Å |
| 1069 | C | 32 | Very low | 29.6 | Very low | 23 Ų | 23 | 74.1 Ų | 74.1 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.5 | 174.5 | 85.6 | 0 | 0 | 0 | 0 | 111.3 | I1080 M1081 A1156 | C1069-I1080 CarbonylContact O-C 3.53Å; C1069-I1080 WeakPolarHBondContact O-CA 3.46Å; C1069-M1081 PolarHBondContact N-O 2.78Å; C1069-M1081 PolarHBondContact O-N 3.41Å; C1069-M1081 WeakPolarHBondContact SG-CB 3.48Å; C1069-M1081 WeakPolarHBondContact SG-CE 3.43Å; C1069-A1156 HydrophobicContact CB-CB 4.36Å |
| 1070 | I | 29.1 | Very low | 30.8 | Very low | 25 Ų | 25 | 67.1 Ų | 67.1 | 13% | 0.128 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.9 | -174.9 | -45.3 | 176.2 | 0 | 0 | 0 | 110.7 | F892 L911 L1078 L1079 I1080 | F892-I1070 HydrophobicContact CD1-CD1 3.86Å; F892-I1070 HydrophobicContact CE1-CD1 3.93Å; F892-I1070 HydrophobicContact CE2-CB 4.33Å; F892-I1070 HydrophobicContact CG-CD1 4.39Å; F892-I1070 HydrophobicContact CZ-CB 4.24Å; L911-I1070 HydrophobicContact CD1-CD1 3.96Å; I1070-L1078 HydrophobicContact CG2-CB 3.93Å; I1070-L1078 HydrophobicContact CG2-CD2 3.39Å; I1070-L1078 HydrophobicContact CG2-CG 4.29Å; I1070-L1079 WeakPolarHBondContact CA-O 3.5Å; I1070-I1080 HydrophobicContact CB-CG1 4.26Å; I1070-I1080 HydrophobicContact CD1-CB 4.37Å; I1070-I1080 HydrophobicContact CD1-CD1 4.37Å; I1070-I1080 HydrophobicContact CD1-CG1 3.69Å; I1070-I1080 HydrophobicContact CD1-CG2 4.1Å; I1070-I1080 HydrophobicContact CG1-CB 3.99Å; I1070-I1080 HydrophobicContact CG1-CG1 3.66Å; I1070-I1080 HydrophobicContact CG1-CG2 3.88Å; I1070-I1080 HydrophobicContact CG2-CG1 3.66Å |
| 1071 | A | 31.2 | Very low | 31.7 | Very low | 29 Ų | 29 | 62.1 Ų | 62.1 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1078 L1079 V1158 | A1071-L1078 WeakPolarHBondContact O-CA 3.46Å; A1071-L1079 PolarHBondContact N-O 3.2Å; A1071-L1079 VanDerWaalsContact N-O 3.1Å; A1071-L1079 PolarHBondContact O-N 2.81Å; A1071-V1158 HydrophobicContact CB-CB 3.86Å; A1071-V1158 HydrophobicContact CB-CG1 4.09Å; A1071-V1158 HydrophobicContact CB-CG2 4.34Å |
| 1072 | S | 34.6 | Very low | 32.5 | Very low | 80 Ų | 80 | 57.7 Ų | 57.7 | 56% | 0.559 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.4 | 176.1 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1073 | N | 30.8 | Very low | 33.1 | Very low | 95 Ų | 95 | 51.4 Ų | 51.4 | 51% | 0.508 | 31% | 0.306 | S | S | . | . | trans | -70.8 | 154.5 | 161.5 | -166.5 | -21.2 | 0 | 0 | 0 | 109.4 | S1075 L1076 D1077 | N1073-S1075 PolarHBondContact ND2-OG 3.4Å; N1073-S1075 PolarHBondContact O-N 2.76Å; N1073-S1075 PolarHBondContact OD1-N 3.05Å; N1073-L1076 PolarHBondContact O-N 2.97Å; N1073-D1077 PolarHBondContact N-O 3.4Å | ||
| 1074 | S | 36.1 | Very low | 33.6 | Very low | 117 Ų | 117 | 50.2 Ų | 50.2 | 82% | 0.818 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -23.7 | 167.5 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1075 | S | 34.6 | Very low | 34.2 | Very low | 75 Ų | 75 | 45.8 Ų | 45.8 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 53.7 | 173.7 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | N1073 D1077 | N1073-S1075 PolarHBondContact ND2-OG 3.4Å; N1073-S1075 PolarHBondContact O-N 2.76Å; N1073-S1075 PolarHBondContact OD1-N 3.05Å; S1075-D1077 VanDerWaalsContact C-N 3.32Å; S1075-D1077 PolarHBondContact O-N 2.84Å |
| 1076 | L | 39.7 | Very low | 34.3 | Very low | 67 Ų | 67 | 45.2 Ų | 45.2 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 44.5 | 27.5 | 158.3 | -90.2 | 168.2 | 0 | 0 | 0 | 120.9 | L896 N1073 | L896-L1076 HydrophobicContact CD2-CD2 3.92Å; N1073-L1076 PolarHBondContact O-N 2.97Å |
| 1077 | D | 33 | Very low | 34.3 | Very low | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | trans | -96.5 | 119.5 | 157.9 | -75.5 | -29.2 | 0 | 0 | 0 | 108.7 | N1073 S1075 H1114 | N1073-D1077 PolarHBondContact N-O 3.4Å; S1075-D1077 VanDerWaalsContact C-N 3.32Å; S1075-D1077 PolarHBondContact O-N 2.84Å; D1077-H1114 VanDerWaalsContact CG-CE1 3.48Å; D1077-H1114 IonicContact OD1-CE1 2.72Å; D1077-H1114 PolarHBondContact OD1-CE1 3.31Å; D1077-H1114 IonicContact OD2-CE1 3.64Å | ||
| 1078 | L | 42.7 | Very low | 34.2 | Very low | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.2 | -179.5 | -77.2 | 142.3 | 0 | 0 | 0 | 109.9 | L903 I1070 A1071 L1115 | L903-L1078 HydrophobicContact CD2-CD1 4.15Å; I1070-L1078 HydrophobicContact CG2-CB 3.93Å; I1070-L1078 HydrophobicContact CG2-CD2 3.39Å; I1070-L1078 HydrophobicContact CG2-CG 4.29Å; A1071-L1078 WeakPolarHBondContact O-CA 3.46Å; L1078-L1115 HydrophobicContact CB-CB 3.97Å; L1078-L1115 HydrophobicContact CB-CD2 4.36Å; L1078-L1115 HydrophobicContact CD1-CD2 3.59Å; L1078-L1115 PolarHBondContact O-N 2.84Å |
| 1079 | L | 38 | Very low | 34.1 | Very low | 29 Ų | 29 | 55.4 Ų | 55.4 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 107.3 | 177.9 | -165.7 | 129.7 | 0 | 0 | 0 | 109.5 | I1070 A1071 M1081 V1112 Y1113 L1179 | I1070-L1079 WeakPolarHBondContact CA-O 3.5Å; A1071-L1079 PolarHBondContact N-O 3.2Å; A1071-L1079 VanDerWaalsContact N-O 3.1Å; A1071-L1079 PolarHBondContact O-N 2.81Å; L1079-M1081 HydrophobicContact CD2-CG 4.34Å; L1079-V1112 HydrophobicContact CD1-CG1 3.86Å; L1079-V1112 HydrophobicContact CD2-CG1 3.48Å; L1079-V1112 VanDerWaalsContact CD2-CG1 3.48Å; L1079-V1112 HydrophobicContact CG-CG1 3.54Å; L1079-Y1113 CarbonylContact C-O 3.25Å; L1079-Y1113 WeakPolarHBondContact CA-O 3.29Å; L1079-L1179 HydrophobicContact CD1-CD1 4.28Å |
| 1080 | I | 47.3 | Very low | 33.6 | Very low | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.2 | -173.6 | -55.6 | 159 | 0 | 0 | 0 | 109.3 | L911 Q1068 C1069 I1070 T1082 V1112 Y1113 L1125 | L911-I1080 HydrophobicContact CD1-CD1 3.46Å; L911-I1080 VanDerWaalsContact CD1-CD1 3.46Å; L911-I1080 HydrophobicContact CD1-CG1 4.18Å; L911-I1080 HydrophobicContact CD1-CG2 4.14Å; Q1068-I1080 HydrophobicContact CB-CG2 4.41Å; C1069-I1080 CarbonylContact O-C 3.53Å; C1069-I1080 WeakPolarHBondContact O-CA 3.46Å; I1070-I1080 HydrophobicContact CB-CG1 4.26Å; I1070-I1080 HydrophobicContact CD1-CB 4.37Å; I1070-I1080 HydrophobicContact CD1-CD1 4.37Å; I1070-I1080 HydrophobicContact CD1-CG1 3.69Å; I1070-I1080 HydrophobicContact CD1-CG2 4.1Å; I1070-I1080 HydrophobicContact CG1-CB 3.99Å; I1070-I1080 HydrophobicContact CG1-CG1 3.66Å; I1070-I1080 HydrophobicContact CG1-CG2 3.88Å; I1070-I1080 HydrophobicContact CG2-CG1 3.66Å; I1080-T1082 HydrophobicContact CG2-CG2 4.07Å; I1080-V1112 CarbonylContact O-C 3Å; I1080-Y1113 PolarHBondContact N-O 3.13Å; I1080-Y1113 WeakPolarHBondContact O-CD2 3.38Å; I1080-Y1113 PolarHBondContact O-N 3.32Å; I1080-L1125 HydrophobicContact CD1-CD1 3.9Å; I1080-L1125 HydrophobicContact CD1-CD2 3.93Å; I1080-L1125 HydrophobicContact CD1-CG 4.1Å |
| 1081 | M | 41.2 | Very low | 33.3 | Very low | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 146.3 | 173.5 | -67.5 | -131.8 | -64.8 | 0 | 0 | 110.1 | Q1068 C1069 L1079 P1110 N1111 V1112 L1131 A1156 I1165 | Q1068-M1081 CarbonylContact C-O 3.49Å; Q1068-M1081 VanDerWaalsContact C-O 3.32Å; Q1068-M1081 WeakPolarHBondContact CA-O 3.27Å; Q1068-M1081 WeakPolarHBondContact CB-O 3.48Å; C1069-M1081 PolarHBondContact N-O 2.78Å; C1069-M1081 PolarHBondContact O-N 3.41Å; C1069-M1081 WeakPolarHBondContact SG-CB 3.48Å; C1069-M1081 WeakPolarHBondContact SG-CE 3.43Å; L1079-M1081 HydrophobicContact CD2-CG 4.34Å; M1081-P1110 HydrophobicContact CB-CB 3.98Å; M1081-P1110 HydrophobicContact CB-CG 4.41Å; M1081-P1110 HydrophobicContact CE-CG 3.76Å; M1081-P1110 HydrophobicContact SD-CB 4.42Å; M1081-P1110 HydrophobicContact SD-CG 3.99Å; M1081-N1111 CarbonylContact C-O 3.47Å; M1081-N1111 VanDerWaalsContact C-O 3.3Å; M1081-N1111 WeakPolarHBondContact CA-O 3.38Å; M1081-V1112 HydrophobicContact CG-CG2 4.18Å; M1081-V1112 HydrophobicContact SD-CG2 3.82Å; M1081-L1131 HydrophobicContact SD-CD1 4.01Å; M1081-A1156 HydrophobicContact CE-CB 3.59Å; M1081-I1165 HydrophobicContact CE-CG2 3.22Å; M1081-I1165 HydrophobicContact SD-CD1 3.71Å; M1081-I1165 HydrophobicContact SD-CG1 4.38Å; M1081-I1165 HydrophobicContact SD-CG2 3.72Å |
| 1082 | T | 42.5 | Very low | 32.9 | Very low | 12 Ų | 12 | 71.6 Ų | 71.6 | 7% | 0.074 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 124.9 | -179.7 | 79.8 | 0 | 0 | 0 | 0 | 113.4 | L1067 Q1068 I1080 P1110 N1111 Y1113 | L1067-T1082 CarbonylContact O-C 3.6Å; L1067-T1082 VanDerWaalsContact O-CA 3.27Å; L1067-T1082 WeakPolarHBondContact O-CA 3.4Å; Q1068-T1082 HydrophobicContact CB-CG2 4.2Å; Q1068-T1082 HydrophobicContact CG-CG2 3.5Å; Q1068-T1082 VanDerWaalsContact CG-CG2 3.5Å; I1080-T1082 HydrophobicContact CG2-CG2 4.07Å; T1082-P1110 CarbonylContact O-C 3.54Å; T1082-P1110 WeakPolarHBondContact O-CA 3.31Å; T1082-N1111 PolarHBondContact N-O 2.98Å; T1082-N1111 PolarHBondContact O-N 3.5Å; T1082-Y1113 HydrophobicContact CG2-CD2 3.78Å; T1082-Y1113 HydrophobicContact CG2-CE2 3.58Å; T1082-Y1113 WeakPolarHBondContact OG1-CE2 3.31Å |
| 1083 | G | 34.3 | Very low | 32.3 | Very low | 6 Ų | 6 | 76.6 Ų | 76.6 | 6% | 0.062 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 147.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1066 L1067 | Q1066-G1083 CarbonylContact C-O 3.41Å; Q1066-G1083 VanDerWaalsContact C-O 3.3Å; Q1066-G1083 WeakPolarHBondContact CA-O 3.45Å; L1067-G1083 WeakPolarHBondContact CB-O 3.44Å; L1067-G1083 PolarHBondContact N-O 3.01Å; L1067-G1083 PolarHBondContact O-N 3.19Å |
| 1084 | E | 33.4 | Very low | 31.9 | Very low | 72 Ų | 72 | 78.6 Ų | 78.6 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.2 | -170.9 | -69.1 | 164.8 | -168.9 | 0 | 0 | 114 | Y1065 Q1066 K1108 | Y1065-E1084 CarbonylContact O-C 3.54Å; Y1065-E1084 WeakPolarHBondContact O-CA 3.43Å; Q1066-E1084 HydrophobicContact CG-CB 4.34Å; Q1066-E1084 HydrophobicContact CG-CG 3.37Å; Q1066-E1084 PolarHBondContact NE2-OE1 2.98Å; E1084-K1108 IonicContact OE1-NZ 2.74Å; E1084-K1108 PolarHBondContact OE1-NZ 3Å; E1084-K1108 WeakPolarHBondContact OE2-CD 3.33Å; E1084-K1108 IonicContact OE2-NZ 3.5Å; E1084-K1108 PolarHBondContact OE2-NZ 3.33Å |
| 1085 | G | 33.3 | Very low | 31.3 | Very low | 5 Ų | 5 | 80.7 Ų | 80.7 | 5% | 0.052 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1065 | Y1065-G1085 WeakPolarHBondContact CE1-O 3.45Å; Y1065-G1085 PolarHBondContact N-O 3.36Å; Y1065-G1085 VanDerWaalsContact N-O 3.08Å; Y1065-G1085 PolarHBondContact O-N 3.23Å |
| 1086 | C | 29.2 | Very low | 30.8 | Very low | 45 Ų | 45 | 80.5 Ų | 80.5 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | trans | -134.9 | 144.4 | 178.9 | -153.9 | 0 | 0 | 0 | 0 | 109.9 | K1152 | C1086-K1152 HydrophobicContact CB-CD 4.49Å; C1086-K1152 VanDerWaalsContact CB-NZ 3.33Å | ||
| 1087 | L | 24.5 | Very low | 30 | Very low | 132 Ų | 132 | 84.3 Ų | 84.3 | 69% | 0.691 | 48% | 0.482 | S | S | * | . | trans | -102.2 | 116.8 | -172.4 | -111.3 | 150.2 | 0 | 0 | 0 | 109.6 | Y1065 S1089 | Y1065-L1087 HydrophobicContact CE1-CB 4.19Å; Y1065-L1087 HydrophobicContact CE1-CD1 4.1Å; Y1065-L1087 HydrophobicContact CE1-CG 4.48Å; Y1065-L1087 WeakPolarHBondContact OH-CA 3.38Å; Y1065-L1087 VanDerWaalsContact OH-CB 3.29Å; Y1065-L1087 WeakPolarHBondContact OH-CB 3.1Å; Y1065-L1087 VanDerWaalsContact OH-CD1 3.24Å; Y1065-L1087 WeakPolarHBondContact OH-CD1 3.15Å; Y1065-L1087 WeakPolarHBondContact OH-CG 3.31Å; Y1065-L1087 PolarHBondContact OH-N 3.33Å; Y1065-L1087 VanDerWaalsContact OH-N 3.07Å; L1087-S1089 PolarHBondContact O-N 3.11Å | ||
| 1088 | D | 25.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 88.7 Ų | 88.7 | 86% | 0.856 | 50% | 0.5 | S | S | * | . | trans | -69.6 | 96.7 | 178.7 | -79.2 | -24.4 | 0 | 0 | 0 | 111.3 | ||||
| 1089 | S | 24.5 | Very low | 28.6 | Very low | 102 Ų | 102 | 93.5 Ų | 93.5 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | trans | -77.2 | 118.8 | 156.3 | 58.9 | 0 | 0 | 0 | 0 | 108.5 | L1087 S1091 | L1087-S1089 PolarHBondContact O-N 3.11Å; S1089-S1091 PolarHBondContact O-N 3.11Å | ||
| 1090 | V | 21.7 | Very low | 28 | Very low | 136 Ų | 136 | 96.8 Ų | 96.8 | 82% | 0.824 | 56% | 0.559 | S | S | * | * | trans | -52.6 | 97.8 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1091 | S | 22.8 | Very low | 27 | Very low | 102 Ų | 102 | 101 Ų | 101 | 71% | 0.713 | 60% | 0.595 | S | S | * | * | trans | -105.5 | 117.8 | 170.6 | 58 | 0 | 0 | 0 | 0 | 109.6 | S1089 H1093 | S1089-S1091 PolarHBondContact O-N 3.11Å; S1091-H1093 PolarHBondContact O-N 3.47Å | ||
| 1092 | H | 22.3 | Very low | 26.3 | Very low | 179 Ų | 179 | 111.6 Ų | 111.6 | 83% | 0.829 | 64% | 0.636 | S | S | * | * | trans | -61.2 | 128.7 | 178.8 | -80.7 | -83.8 | 0 | 0 | 0 | 112.1 | ||||
| 1093 | H | 21.4 | Very low | 25.6 | Very low | 184 Ų | 184 | 117.8 Ų | 117.8 | 85% | 0.852 | 67% | 0.667 | S | S | * | * | trans | -61.9 | 134.2 | 175.4 | -100.6 | -83 | 0 | 0 | 0 | 112.7 | S1091 | S1091-H1093 PolarHBondContact O-N 3.47Š| ||
| 1094 | V | 22.3 | Very low | 25.5 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | trans | -124.1 | 129.2 | 158.5 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1095 | D | 23.2 | Very low | 25.7 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -60.2 | 145.2 | -171.1 | -64.5 | -52.5 | 0 | 0 | 0 | 115.3 | ||||
| 1096 | G | 23.8 | Very low | 26.1 | Very low | 72 Ų | 72 | 134.6 Ų | 134.6 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 163.2 | 70 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1097 | I | 23.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 35.9 | 120.2 | 136.8 | -58.9 | 178.7 | 0 | 0 | 0 | 120.8 | ||||
| 1098 | E | 23.1 | Very low | 28.3 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | 95.5 | 117.2 | 139.9 | -80.5 | 165.9 | -154.4 | 0 | 0 | 124.4 | ||||
| 1099 | S | 24.5 | Very low | 29.6 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | 106.6 | 71.1 | 132.8 | 76.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1100 | S | 25.3 | Very low | 31.2 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | 32.6 | 90.7 | 119.4 | 64.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1101 | A | 26.5 | Very low | 32.6 | Very low | 91 Ų | 91 | 116.6 Ų | 116.6 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | trans | -118.9 | 91.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 107 | I1103 | A1101-I1103 VanDerWaalsContact C-N 3.32Å; A1101-I1103 PolarHBondContact O-N 2.97Å | ||
| 1102 | Y | 26.3 | Very low | 34.1 | Very low | 223 Ų | 223 | 111.8 Ų | 111.8 | 88% | 0.875 | 60% | 0.595 | S | S | * | * | trans | -64.3 | 88.1 | 179.9 | -87.9 | -90.7 | 0 | 0 | 0 | 110.1 | K1104 | Y1102-K1104 PolarHBondContact O-N 2.86Š| ||
| 1103 | I | 27.6 | Very low | 35.4 | Very low | 142 Ų | 142 | 106.3 Ų | 106.3 | 73% | 0.728 | 57% | 0.568 | S | S | * | * | trans | -69.8 | 110.6 | 163.5 | -61.6 | 171.3 | 0 | 0 | 0 | 105.4 | A1101 I1105 | A1101-I1103 VanDerWaalsContact C-N 3.32Å; A1101-I1103 PolarHBondContact O-N 2.97Å; I1103-I1105 PolarHBondContact O-N 3.45Å | ||
| 1104 | K | 31.2 | Very low | 36.7 | Very low | 186 Ų | 186 | 99.7 Ų | 99.7 | 81% | 0.809 | 54% | 0.538 | S | S | * | . | trans | -61.3 | 96.3 | 171.6 | -91.8 | 179.9 | 170.3 | -179.7 | 0 | 108.6 | Y1102 I1106 | Y1102-K1104 PolarHBondContact O-N 2.86Å; K1104-I1106 PolarHBondContact O-N 3.43Å | ||
| 1105 | I | 38.6 | Very low | 37.8 | Very low | 114 Ų | 114 | 93.7 Ų | 93.7 | 59% | 0.585 | 50% | 0.501 | S | S | * | . | trans | -77.2 | 100.1 | 174.1 | -57.7 | 171 | 0 | 0 | 0 | 106.8 | I1103 | I1103-I1105 PolarHBondContact O-N 3.45Š| ||
| 1106 | I | 41.5 | Very low | 38.6 | Very low | 135 Ų | 135 | 91.3 Ų | 91.3 | 69% | 0.692 | 48% | 0.483 | S | S | * | . | trans | -75.5 | 130.4 | 166.5 | -58.6 | 171.2 | 0 | 0 | 0 | 106.2 | K1104 K1108 | K1104-I1106 PolarHBondContact O-N 3.43Å; I1106-K1108 PolarHBondContact O-N 3.38Å | ||
| 1107 | P | 49.5 | Very low | 39.4 | Very low | 22 Ų | 22 | 95.1 Ų | 95.1 | 14% | 0.143 | 48% | 0.475 | C | S | . | . | trans | -57.3 | 114.1 | 175.9 | -15.5 | 24.6 | 0 | 0 | 0 | 109.1 | L1109 L1133 | P1107-L1109 PolarHBondContact O-N 2.88Å; P1107-L1109 VanDerWaalsContact O-N 3.09Å; P1107-L1133 HydrophobicContact CB-CD1 4.48Å; P1107-L1133 HydrophobicContact CG-CD1 4.14Å | ||
| 1108 | K | 50.1 | Low | 40 | Very low | 130 Ų | 130 | 90 Ų | 90 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | trans | -70.5 | 105.1 | 171.9 | -81.5 | -176.3 | -176.1 | 170.9 | 0 | 108 | E1084 I1106 | E1084-K1108 IonicContact OE1-NZ 2.74Å; E1084-K1108 PolarHBondContact OE1-NZ 3Å; E1084-K1108 WeakPolarHBondContact OE2-CD 3.33Å; E1084-K1108 IonicContact OE2-NZ 3.5Å; E1084-K1108 PolarHBondContact OE2-NZ 3.33Å; I1106-K1108 PolarHBondContact O-N 3.38Å | ||
| 1109 | L | 52.8 | Low | 40.6 | Very low | 9 Ų | 9 | 88.5 Ų | 88.5 | 5% | 0.047 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 161.2 | 170.2 | -73.3 | 178 | 0 | 0 | 0 | 110.9 | P1107 L1131 R1132 L1133 V1153 V1167 L1169 W1184 | P1107-L1109 PolarHBondContact O-N 2.88Å; P1107-L1109 VanDerWaalsContact O-N 3.09Å; L1109-L1131 HydrophobicContact CB-CB 4.01Å; L1109-L1131 WeakPolarHBondContact CB-O 3.46Å; L1109-L1131 HydrophobicContact CD1-CB 4.12Å; L1109-R1132 VanDerWaalsContact CD1-C 3.47Å; L1109-L1133 HydrophobicContact CD1-CB 4.4Å; L1109-L1133 HydrophobicContact CD1-CD2 3.96Å; L1109-L1133 HydrophobicContact CD1-CG 3.76Å; L1109-L1133 VanDerWaalsContact CD1-N 3.31Å; L1109-L1133 HydrophobicContact CD2-CD2 4.36Å; L1109-L1133 HydrophobicContact CD2-CG 4.34Å; L1109-L1133 HydrophobicContact CG-CG 4.15Å; L1109-V1153 HydrophobicContact CD2-CG2 3.87Å; L1109-V1167 HydrophobicContact CD2-CG1 3.84Å; L1109-L1169 HydrophobicContact CD2-CD2 4.44Å; L1109-W1184 HydrophobicContact CD1-CH2 3.9Å; L1109-W1184 HydrophobicContact CD1-CZ2 3.42Å; L1109-W1184 VanDerWaalsContact CD1-CZ2 3.42Å |
| 1110 | P | 57.3 | Low | 40.9 | Very low | 4 Ų | 4 | 86.9 Ų | 86.9 | 3% | 0.026 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 143.5 | -175.7 | 27.2 | -34.5 | 0 | 0 | 0 | 113.8 | M1081 T1082 | M1081-P1110 HydrophobicContact CB-CB 3.98Å; M1081-P1110 HydrophobicContact CB-CG 4.41Å; M1081-P1110 HydrophobicContact CE-CG 3.76Å; M1081-P1110 HydrophobicContact SD-CB 4.42Å; M1081-P1110 HydrophobicContact SD-CG 3.99Å; T1082-P1110 CarbonylContact O-C 3.54Å; T1082-P1110 WeakPolarHBondContact O-CA 3.31Å |
| 1111 | N | 52.5 | Low | 41.5 | Very low | 32 Ų | 32 | 84.1 Ų | 84.1 | 17% | 0.171 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.2 | 170.8 | -73.6 | -4 | 0 | 0 | 0 | 110.4 | M1081 T1082 Y1113 R1129 E1130 | M1081-N1111 CarbonylContact C-O 3.47Å; M1081-N1111 VanDerWaalsContact C-O 3.3Å; M1081-N1111 WeakPolarHBondContact CA-O 3.38Å; T1082-N1111 PolarHBondContact N-O 2.98Å; T1082-N1111 PolarHBondContact O-N 3.5Å; N1111-Y1113 HydrophobicContact CB-CD2 4.41Å; N1111-Y1113 HydrophobicContact CB-CE2 3.62Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.48Å; N1111-R1129 CarbonylContact C-O 3.58Å; N1111-R1129 WeakPolarHBondContact CA-O 3.21Å; N1111-E1130 PolarHBondContact ND2-OE1 2.76Å; N1111-E1130 WeakPolarHBondContact OD1-CA 3.35Å; N1111-E1130 WeakPolarHBondContact OD1-CB 3.37Å; N1111-E1130 WeakPolarHBondContact OD1-CG 3.22Å |
| 1112 | V | 53.4 | Low | 41.5 | Very low | 1 Ų | 1 | 88.2 Ų | 88.2 | 1% | 0.006 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.8 | 179.4 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | L1079 I1080 M1081 S1128 R1129 L1131 I1165 | L1079-V1112 HydrophobicContact CD1-CG1 3.86Å; L1079-V1112 HydrophobicContact CD2-CG1 3.48Å; L1079-V1112 VanDerWaalsContact CD2-CG1 3.48Å; L1079-V1112 HydrophobicContact CG-CG1 3.54Å; I1080-V1112 CarbonylContact O-C 3Å; M1081-V1112 HydrophobicContact CG-CG2 4.18Å; M1081-V1112 HydrophobicContact SD-CG2 3.82Å; V1112-S1128 WeakPolarHBondContact CG1-OG 3.29Å; V1112-S1128 PolarHBondContact O-N 3.25Å; V1112-S1128 PolarHBondContact O-OG 2.82Å; V1112-R1129 PolarHBondContact N-O 3.22Å; V1112-R1129 PolarHBondContact O-N 3.03Å; V1112-R1129 VanDerWaalsContact O-N 3.07Å; V1112-L1131 HydrophobicContact CG2-CD1 4.01Å; V1112-L1131 HydrophobicContact CG2-CG 4.14Å; V1112-I1165 HydrophobicContact CG2-CD1 4.14Å |
| 1113 | Y | 48.9 | Very low | 42 | Very low | 64 Ų | 64 | 80.5 Ų | 80.5 | 25% | 0.251 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.7 | 177.8 | -60.6 | -104.3 | 0 | 0 | 0 | 110.5 | L1079 I1080 T1082 N1111 L1125 D1126 C1127 | L1079-Y1113 CarbonylContact C-O 3.25Å; L1079-Y1113 WeakPolarHBondContact CA-O 3.29Å; I1080-Y1113 PolarHBondContact N-O 3.13Å; I1080-Y1113 WeakPolarHBondContact O-CD2 3.38Å; I1080-Y1113 PolarHBondContact O-N 3.32Å; T1082-Y1113 HydrophobicContact CG2-CD2 3.78Å; T1082-Y1113 HydrophobicContact CG2-CE2 3.58Å; T1082-Y1113 WeakPolarHBondContact OG1-CE2 3.31Å; N1111-Y1113 HydrophobicContact CB-CD2 4.41Å; N1111-Y1113 HydrophobicContact CB-CE2 3.62Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.48Å; Y1113-L1125 VanDerWaalsContact CB-CD2 3.5Å; Y1113-L1125 HydrophobicContact CD1-CD2 3.96Å; Y1113-L1125 HydrophobicContact CG-CD2 4.02Å; Y1113-D1126 WeakPolarHBondContact CA-O 3.41Å; Y1113-C1127 HydrophobicContact CD1-CB 3.46Å; Y1113-C1127 VanDerWaalsContact CD1-CB 3.46Å; Y1113-C1127 HydrophobicContact CE1-CB 3.37Å; Y1113-C1127 VanDerWaalsContact CE1-SG 3.52Å; Y1113-C1127 HydrophobicContact CG-CB 4.37Å |
| 1114 | H | 48.6 | Very low | 42.4 | Very low | 46 Ų | 46 | 81.8 Ų | 81.8 | 21% | 0.213 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.2 | 179.2 | -161.8 | -66.6 | 0 | 0 | 0 | 110.3 | D1077 K1116 D1126 | D1077-H1114 VanDerWaalsContact CG-CE1 3.48Å; D1077-H1114 IonicContact OD1-CE1 2.72Å; D1077-H1114 PolarHBondContact OD1-CE1 3.31Å; D1077-H1114 IonicContact OD2-CE1 3.64Å; H1114-K1116 WeakPolarHBondContact ND1-CG 3.29Å; H1114-D1126 PolarHBondContact N-O 2.87Å; H1114-D1126 PolarHBondContact O-N 3.04Å |
| 1115 | L | 45.8 | Very low | 42.7 | Very low | 12 Ų | 12 | 76.7 Ų | 76.7 | 6% | 0.063 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.3 | 171.9 | -163.5 | 83 | 0 | 0 | 0 | 108.9 | L1078 L1123 L1125 | L1078-L1115 HydrophobicContact CB-CB 3.97Å; L1078-L1115 HydrophobicContact CB-CD2 4.36Å; L1078-L1115 HydrophobicContact CD1-CD2 3.59Å; L1078-L1115 PolarHBondContact O-N 2.84Å; L1115-L1123 HydrophobicContact CD1-CB 4.41Å; L1115-L1123 HydrophobicContact CD2-CD1 4.29Å; L1115-L1123 HydrophobicContact CD2-CD2 4.04Å; L1115-L1123 HydrophobicContact CG-CB 4.47Å; L1115-L1123 HydrophobicContact CG-CD2 4.3Å; L1115-L1125 HydrophobicContact CD1-CB 4.14Å; L1115-L1125 HydrophobicContact CD1-CD1 3.65Å; L1115-L1125 HydrophobicContact CD1-CG 3.58Å |
| 1116 | K | 41.4 | Very low | 42.8 | Very low | 110 Ų | 110 | 74.3 Ų | 74.3 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.9 | 176.2 | -71.8 | -172.1 | 175.4 | 179.2 | 0 | 111.1 | H1114 L1123 R1124 | H1114-K1116 WeakPolarHBondContact ND1-CG 3.29Å; K1116-L1123 CarbonylContact O-C 3.46Å; K1116-L1123 WeakPolarHBondContact O-CA 3.36Å; K1116-R1124 PolarHBondContact N-O 3.16Å; K1116-R1124 PolarHBondContact O-N 3.44Å |
| 1117 | R | 40.2 | Very low | 42.9 | Very low | 152 Ų | 152 | 71.1 Ų | 71.1 | 57% | 0.574 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.3 | 174.3 | -156.7 | 169.3 | -170.5 | 178.8 | 0.7 | 110 | L1123 | R1117-L1123 HydrophobicContact CB-CD2 3.78Å; R1117-L1123 HydrophobicContact CG-CD2 3.75Å; R1117-L1123 HydrophobicContact CG-CG 4.48Å |
| 1118 | G | 36 | Very low | 43.1 | Very low | 39 Ų | 39 | 73 Ų | 73 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | trans | -74.6 | 162.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1120 G1121 K1122 | G1118-G1120 PolarHBondContact O-N 3Å; G1118-G1121 PolarHBondContact O-N 3.08Å; G1118-K1122 PolarHBondContact N-O 2.86Å | ||
| 1119 | S | 34.9 | Very low | 43.4 | Very low | 144 Ų | 144 | 71.6 Ų | 71.6 | 100% | 1.007 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -16.1 | -177.6 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1120 | G | 30.5 | Very low | 43.7 | Very low | 69 Ų | 69 | 76.7 Ų | 76.7 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 15.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1118 K1122 | G1118-G1120 PolarHBondContact O-N 3Å; G1120-K1122 PolarHBondContact O-N 3.26Å; G1120-K1122 VanDerWaalsContact O-N 3.13Å |
| 1121 | G | 37.8 | Very low | 43.9 | Very low | 42 Ų | 42 | 77 Ų | 77 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 76.2 | -10 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1118 L1123 | G1118-G1121 PolarHBondContact O-N 3.08Å; G1121-L1123 PolarHBondContact O-N 3.31Å |
| 1122 | K | 27.5 | Very low | 44.4 | Very low | 176 Ų | 176 | 84.6 Ų | 84.6 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | trans | -68.7 | 124.4 | 174.4 | -71.5 | -176.3 | 177.8 | 179.6 | 0 | 110.7 | G1118 G1120 | G1118-K1122 PolarHBondContact N-O 2.86Å; G1120-K1122 PolarHBondContact O-N 3.26Å; G1120-K1122 VanDerWaalsContact O-N 3.13Å | ||
| 1123 | L | 36.3 | Very low | 45.2 | Very low | 61 Ų | 61 | 86.3 Ų | 86.3 | 32% | 0.319 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.8 | 173.6 | -66.3 | 163.4 | 0 | 0 | 0 | 109.7 | I913 L1115 K1116 R1117 G1121 | I913-L1123 HydrophobicContact CD1-CD1 4.03Å; L1115-L1123 HydrophobicContact CD1-CB 4.41Å; L1115-L1123 HydrophobicContact CD2-CD1 4.29Å; L1115-L1123 HydrophobicContact CD2-CD2 4.04Å; L1115-L1123 HydrophobicContact CG-CB 4.47Å; L1115-L1123 HydrophobicContact CG-CD2 4.3Å; K1116-L1123 CarbonylContact O-C 3.46Å; K1116-L1123 WeakPolarHBondContact O-CA 3.36Å; R1117-L1123 HydrophobicContact CB-CD2 3.78Å; R1117-L1123 HydrophobicContact CG-CD2 3.75Å; R1117-L1123 HydrophobicContact CG-CG 4.48Å; G1121-L1123 PolarHBondContact O-N 3.31Å |
| 1124 | R | 35 | Very low | 45.9 | Very low | 170 Ų | 170 | 84 Ų | 84 | 64% | 0.642 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.4 | 174.4 | -178.1 | 176.5 | 170 | 154.5 | 2.7 | 109.3 | K1116 D1126 | K1116-R1124 PolarHBondContact N-O 3.16Å; K1116-R1124 PolarHBondContact O-N 3.44Å; R1124-D1126 IonicContact CZ-OD1 3.88Å; R1124-D1126 IonicContact NE-OD1 3.13Å; R1124-D1126 PolarHBondContact NE-OD1 3.35Å; R1124-D1126 IonicContact NE-OD2 3.55Å; R1124-D1126 IonicContact NH2-OD1 2.79Å; R1124-D1126 PolarHBondContact NH2-OD1 3.06Å |
| 1125 | L | 38.2 | Very low | 46.4 | Very low | 78 Ų | 78 | 92.3 Ų | 92.3 | 41% | 0.408 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 110.2 | -178.8 | -132.7 | 155 | 0 | 0 | 0 | 107.5 | I1080 Y1113 L1115 | I1080-L1125 HydrophobicContact CD1-CD1 3.9Å; I1080-L1125 HydrophobicContact CD1-CD2 3.93Å; I1080-L1125 HydrophobicContact CD1-CG 4.1Å; Y1113-L1125 VanDerWaalsContact CB-CD2 3.5Å; Y1113-L1125 HydrophobicContact CD1-CD2 3.96Å; Y1113-L1125 HydrophobicContact CG-CD2 4.02Å; L1115-L1125 HydrophobicContact CD1-CB 4.14Å; L1115-L1125 HydrophobicContact CD1-CD1 3.65Å; L1115-L1125 HydrophobicContact CD1-CG 3.58Å |
| 1126 | D | 41.2 | Very low | 47.4 | Very low | 64 Ų | 64 | 92.5 Ų | 92.5 | 34% | 0.342 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.7 | 178.8 | -73.8 | -28.5 | 0 | 0 | 0 | 109.2 | Y1113 H1114 R1124 S1128 | Y1113-D1126 WeakPolarHBondContact CA-O 3.41Å; H1114-D1126 PolarHBondContact N-O 2.87Å; H1114-D1126 PolarHBondContact O-N 3.04Å; R1124-D1126 IonicContact CZ-OD1 3.88Å; R1124-D1126 IonicContact NE-OD1 3.13Å; R1124-D1126 PolarHBondContact NE-OD1 3.35Å; R1124-D1126 IonicContact NE-OD2 3.55Å; R1124-D1126 IonicContact NH2-OD1 2.79Å; R1124-D1126 PolarHBondContact NH2-OD1 3.06Å; D1126-S1128 PolarHBondContact O-N 3.47Å |
| 1127 | C | 44.2 | Very low | 48.4 | Very low | 69 Ų | 69 | 91.1 Ų | 91.1 | 47% | 0.466 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 117.3 | 172.6 | -171.8 | 0 | 0 | 0 | 0 | 109 | Y1113 | Y1113-C1127 HydrophobicContact CD1-CB 3.46Å; Y1113-C1127 VanDerWaalsContact CD1-CB 3.46Å; Y1113-C1127 HydrophobicContact CE1-CB 3.37Å; Y1113-C1127 VanDerWaalsContact CE1-SG 3.52Å; Y1113-C1127 HydrophobicContact CG-CB 4.37Å |
| 1128 | S | 52.3 | Low | 49.5 | Very low | 61 Ų | 61 | 88.1 Ų | 88.1 | 43% | 0.427 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -48.8 | -176.9 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | V1112 D1126 | V1112-S1128 WeakPolarHBondContact CG1-OG 3.29Å; V1112-S1128 PolarHBondContact O-N 3.25Å; V1112-S1128 PolarHBondContact O-OG 2.82Å; D1126-S1128 PolarHBondContact O-N 3.47Å |
| 1129 | R | 56.7 | Low | 50.8 | Low | 101 Ų | 101 | 93.3 Ų | 93.3 | 38% | 0.381 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 149.1 | -171.3 | -62.7 | -173.1 | 178.9 | 169.6 | 0.4 | 114.2 | N1111 V1112 L1179 | N1111-R1129 CarbonylContact C-O 3.58Å; N1111-R1129 WeakPolarHBondContact CA-O 3.21Å; V1112-R1129 PolarHBondContact N-O 3.22Å; V1112-R1129 PolarHBondContact O-N 3.03Å; V1112-R1129 VanDerWaalsContact O-N 3.07Å; R1129-L1179 PolarHBondContact NH1-O 2.96Å |
| 1130 | E | 58.7 | Low | 52.3 | Low | 116 Ų | 116 | 88.4 Ų | 88.4 | 54% | 0.542 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.8 | 168.1 | -53.6 | -160.9 | 142.7 | 0 | 0 | 110.2 | N1111 R1132 | N1111-E1130 PolarHBondContact ND2-OE1 2.76Å; N1111-E1130 WeakPolarHBondContact OD1-CA 3.35Å; N1111-E1130 WeakPolarHBondContact OD1-CB 3.37Å; N1111-E1130 WeakPolarHBondContact OD1-CG 3.22Å; E1130-R1132 IonicContact OE2-NH2 3.19Å |
| 1131 | L | 61.7 | Low | 54.2 | Low | 9 Ų | 9 | 88.4 Ų | 88.4 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | trans | -79.6 | 142.5 | -179.8 | -64 | 172.2 | 0 | 0 | 0 | 110.8 | M1081 L1109 V1112 I1165 Y1177 | M1081-L1131 HydrophobicContact SD-CD1 4.01Å; L1109-L1131 HydrophobicContact CB-CB 4.01Å; L1109-L1131 WeakPolarHBondContact CB-O 3.46Å; L1109-L1131 HydrophobicContact CD1-CB 4.12Å; V1112-L1131 HydrophobicContact CG2-CD1 4.01Å; V1112-L1131 HydrophobicContact CG2-CG 4.14Å; L1131-I1165 HydrophobicContact CD1-CD1 4.06Å; L1131-Y1177 HydrophobicContact CD2-CD1 3.66Å; L1131-Y1177 HydrophobicContact CD2-CD2 4.25Å; L1131-Y1177 HydrophobicContact CD2-CE1 3.55Å; L1131-Y1177 HydrophobicContact CD2-CE2 4.17Å; L1131-Y1177 HydrophobicContact CD2-CG 4Å | ||
| 1132 | R | 63.1 | Low | 55.8 | Low | 193 Ų | 193 | 86.8 Ų | 86.8 | 73% | 0.728 | 42% | 0.416 | S | S | * | . | trans | -135.7 | 139.7 | 173.4 | -66.5 | -173.6 | -175.8 | 170.4 | 3.9 | 110 | L1109 E1130 W1184 | L1109-R1132 VanDerWaalsContact CD1-C 3.47Å; E1130-R1132 IonicContact OE2-NH2 3.19Å; R1132-W1184 PolarHBondContact O-NE1 3.46Å | ||
| 1133 | L | 69.4 | Low | 57.6 | Low | 36 Ų | 36 | 80.4 Ų | 80.4 | 19% | 0.188 | 39% | 0.392 | C | S | . | . | trans | -64.3 | 153.8 | 175.2 | -74.2 | 175.9 | 0 | 0 | 0 | 110.1 | P1107 L1109 Y1135 L1169 W1175 W1184 | P1107-L1133 HydrophobicContact CB-CD1 4.48Å; P1107-L1133 HydrophobicContact CG-CD1 4.14Å; L1109-L1133 HydrophobicContact CD1-CB 4.4Å; L1109-L1133 HydrophobicContact CD1-CD2 3.96Å; L1109-L1133 HydrophobicContact CD1-CG 3.76Å; L1109-L1133 VanDerWaalsContact CD1-N 3.31Å; L1109-L1133 HydrophobicContact CD2-CD2 4.36Å; L1109-L1133 HydrophobicContact CD2-CG 4.34Å; L1109-L1133 HydrophobicContact CG-CG 4.15Å; L1133-Y1135 PolarHBondContact O-N 2.82Å; L1133-L1169 HydrophobicContact CD1-CD1 4.28Å; L1133-W1175 HydrophobicContact CD2-CD2 3.95Å; L1133-W1175 HydrophobicContact CD2-CE3 4.43Å; L1133-W1175 HydrophobicContact CD2-CG 4.09Å; L1133-W1184 HydrophobicContact CD2-CH2 4.33Å; L1133-W1184 HydrophobicContact CD2-CZ2 4.04Å | ||
| 1134 | P | 64.4 | Low | 58.9 | Low | 15 Ų | 15 | 82.8 Ų | 82.8 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | trans | -55.2 | 137.3 | 178.3 | -22.1 | 31.8 | 0 | 0 | 0 | 112 | L1136 W1175 W1184 E1279 | P1134-L1136 PolarHBondContact O-N 2.82Å; P1134-W1175 HydrophobicContact CG-CH2 4.24Å; P1134-W1175 HydrophobicContact CG-CZ3 3.83Å; P1134-W1184 HydrophobicContact CG-CB 4.2Å; P1134-W1184 VanDerWaalsContact CG-CD1 3.46Å; P1134-W1184 HydrophobicContact CG-CG 3.85Å; P1134-E1279 HydrophobicContact CB-CB 4.25Å | ||
| 1135 | Y | 60 | Low | 60.3 | Low | 222 Ų | 222 | 76.1 Ų | 76.1 | 87% | 0.871 | 38% | 0.379 | S | S | * | . | trans | -76.2 | 105.7 | 173.9 | -175 | -94.6 | 0 | 0 | 0 | 109.8 | L1133 | L1133-Y1135 PolarHBondContact O-N 2.82Š| ||
| 1136 | L | 67.1 | Low | 61.3 | Low | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | trans | -97.3 | 145.7 | 177.7 | -64.9 | 153.5 | 0 | 0 | 0 | 110.3 | P1134 H1140 Y1142 P1143 L1283 | P1134-L1136 PolarHBondContact O-N 2.82Å; L1136-H1140 HydrophobicContact CB-CB 4.15Å; L1136-Y1142 HydrophobicContact CD1-CD1 3.73Å; L1136-Y1142 HydrophobicContact CD1-CG 4.3Å; L1136-P1143 HydrophobicContact CB-CG 3.94Å; L1136-P1143 HydrophobicContact CD1-CG 4.42Å; L1136-L1283 HydrophobicContact CD1-CD1 3.21Å; L1136-L1283 HydrophobicContact CD2-CD1 3.8Å; L1136-L1283 HydrophobicContact CG-CD1 4.12Å | ||
| 1137 | P | 61.2 | Low | 62.1 | Low | 80 Ų | 80 | 74.3 Ų | 74.3 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | trans | -54 | 147.1 | 173.3 | -22.7 | 32.3 | 0 | 0 | 0 | 111.5 | D1139 H1140 | P1137-D1139 PolarHBondContact O-N 3.04Å; P1137-H1140 WeakPolarHBondContact O-CB 3.25Å; P1137-H1140 PolarHBondContact O-N 3.33Å | ||
| 1138 | S | 62.5 | Low | 62.7 | Low | 90 Ų | 90 | 77.9 Ų | 77.9 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.8 | -179.5 | 48.5 | 0 | 0 | 0 | 0 | 114.4 | H1140 | S1138-H1140 VanDerWaalsContact C-N 3.31Š|
| 1139 | D | 64.7 | Low | 62.6 | Low | 147 Ų | 147 | 76.6 Ų | 76.6 | 79% | 0.786 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.5 | -177.7 | -56.2 | -4.6 | 0 | 0 | 0 | 111.9 | P1137 | P1137-D1139 PolarHBondContact O-N 3.04Š|
| 1140 | H | 66.7 | Low | 62.8 | Low | 42 Ų | 42 | 76 Ų | 76 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -73.8 | 142.5 | 174.4 | -161.2 | -79.2 | 0 | 0 | 0 | 110.2 | L1136 P1137 S1138 Y1142 P1143 | L1136-H1140 HydrophobicContact CB-CB 4.15Å; P1137-H1140 WeakPolarHBondContact O-CB 3.25Å; P1137-H1140 PolarHBondContact O-N 3.33Å; S1138-H1140 VanDerWaalsContact C-N 3.31Å; H1140-Y1142 PolarHBondContact ND1-N 2.91Å; H1140-Y1142 PolarHBondContact O-N 3.29Å; H1140-P1143 WeakPolarHBondContact O-CD 3.29Å |
| 1141 | W | 69.4 | Low | 62.7 | Low | 68 Ų | 68 | 70.9 Ų | 70.9 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.9 | -31.7 | -173.6 | 58.2 | -91.9 | 0 | 0 | 0 | 113.5 | Q1144 L1145 F1173 V1226 L1288 | W1141-Q1144 WeakPolarHBondContact O-CB 3.4Å; W1141-Q1144 PolarHBondContact O-N 2.7Å; W1141-Q1144 VanDerWaalsContact O-N 3.16Å; W1141-L1145 PolarHBondContact O-N 2.93Å; W1141-F1173 HydrophobicContact CH2-CE1 4.45Å; W1141-F1173 HydrophobicContact CH2-CZ 4.32Å; W1141-F1173 HydrophobicContact CZ3-CZ 4.16Å; W1141-V1226 HydrophobicContact CH2-CB 3.83Å; W1141-V1226 HydrophobicContact CH2-CG1 3.58Å; W1141-V1226 HydrophobicContact CH2-CG2 4.08Å; W1141-V1226 HydrophobicContact CZ2-CG2 4.35Å; W1141-V1226 HydrophobicContact CZ3-CB 3.81Å; W1141-V1226 HydrophobicContact CZ3-CG1 3.65Å; W1141-L1288 HydrophobicContact CH2-CD2 3.57Å; W1141-L1288 HydrophobicContact CZ2-CD2 3.8Å |
| 1142 | Y | 72.1 | Confident | 62.8 | Low | 8 Ų | 8 | 74 Ų | 74 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | -177.5 | -176.5 | -94.2 | 0 | 0 | 0 | 115.1 | L1136 H1140 Q1144 L1145 C1146 L1169 F1173 W1175 L1283 | L1136-Y1142 HydrophobicContact CD1-CD1 3.73Å; L1136-Y1142 HydrophobicContact CD1-CG 4.3Å; H1140-Y1142 PolarHBondContact ND1-N 2.91Å; H1140-Y1142 PolarHBondContact O-N 3.29Å; Y1142-Q1144 VanDerWaalsContact C-N 3.3Å; Y1142-Q1144 PolarHBondContact O-N 3.04Å; Y1142-L1145 WeakPolarHBondContact O-CB 3.09Å; Y1142-L1145 PolarHBondContact O-N 2.7Å; Y1142-L1145 VanDerWaalsContact O-N 3.12Å; Y1142-C1146 WeakPolarHBondContact CE1-SG 3.26Å; Y1142-C1146 PolarHBondContact O-N 3.26Å; Y1142-C1146 PolarHBondContact O-SG 3.22Å; Y1142-L1169 WeakPolarHBondContact OH-CD1 3.5Å; Y1142-F1173 HydrophobicContact CD2-CE1 4.32Å; Y1142-F1173 HydrophobicContact CD2-CZ 4.27Å; Y1142-F1173 HydrophobicContact CE2-CB 4.46Å; Y1142-F1173 AromaticContact CE2-CD1 3.95Å; Y1142-F1173 HydrophobicContact CE2-CD1 3.95Å; Y1142-F1173 AromaticContact CE2-CD2 3.93Å; Y1142-F1173 HydrophobicContact CE2-CD2 3.93Å; Y1142-F1173 HydrophobicContact CE2-CE1 4.08Å; Y1142-F1173 HydrophobicContact CE2-CE2 4.11Å; Y1142-F1173 AromaticContact CE2-CG 3.84Å; Y1142-F1173 HydrophobicContact CE2-CG 3.84Å; Y1142-F1173 HydrophobicContact CE2-CZ 4.15Å; Y1142-W1175 HydrophobicContact CD1-CZ2 4.35Å; Y1142-W1175 AromaticContact CE1-CZ2 3.69Å; Y1142-W1175 HydrophobicContact CE1-CZ2 3.69Å; Y1142-W1175 AromaticContact CE2-CZ2 3.92Å; Y1142-W1175 HydrophobicContact CE2-CZ2 3.92Å; Y1142-W1175 AromaticContact CZ-CE2 3.84Å; Y1142-W1175 AromaticContact CZ-CZ2 3.47Å; Y1142-W1175 VanDerWaalsContact CZ-CZ2 3.47Å; Y1142-W1175 AromaticContact CZ-NE1 3.63Å; Y1142-W1175 PolarHBondContact OH-NE1 3.39Å; Y1142-L1283 HydrophobicContact CD1-CD1 4.19Å; Y1142-L1283 HydrophobicContact CD2-CD2 4.04Å; Y1142-L1283 HydrophobicContact CG-CD1 3.95Å; Y1142-L1283 HydrophobicContact CG-CD2 4.3Å |
| 1143 | P | 64.5 | Low | 62.5 | Low | 42 Ų | 42 | 65.3 Ų | 65.3 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55 | -39.1 | 171 | -28.6 | 33.1 | 0 | 0 | 0 | 114.6 | L1136 H1140 L1145 C1146 T1147 | L1136-P1143 HydrophobicContact CB-CG 3.94Å; L1136-P1143 HydrophobicContact CD1-CG 4.42Å; H1140-P1143 WeakPolarHBondContact O-CD 3.29Å; P1143-L1145 VanDerWaalsContact C-N 3.34Å; P1143-C1146 PolarHBondContact O-N 2.88Å; P1143-T1147 WeakPolarHBondContact O-CG2 3.15Å; P1143-T1147 PolarHBondContact O-N 3.06Å; P1143-T1147 VanDerWaalsContact O-N 3.08Å; P1143-T1147 PolarHBondContact O-OG1 3.14Å |
| 1144 | Q | 63.9 | Low | 62.2 | Low | 112 Ų | 112 | 67.4 Ų | 67.4 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.1 | -66.2 | 176.8 | -4.9 | 0 | 0 | 110.9 | W1141 Y1142 T1147 D1148 | W1141-Q1144 WeakPolarHBondContact O-CB 3.4Å; W1141-Q1144 PolarHBondContact O-N 2.7Å; W1141-Q1144 VanDerWaalsContact O-N 3.16Å; Y1142-Q1144 VanDerWaalsContact C-N 3.3Å; Y1142-Q1144 PolarHBondContact O-N 3.04Å; Q1144-T1147 WeakPolarHBondContact CA-OG1 3.26Å; Q1144-T1147 PolarHBondContact O-N 3.32Å; Q1144-T1147 PolarHBondContact O-OG1 3.02Å; Q1144-D1148 VanDerWaalsContact O-CG 3.32Å; Q1144-D1148 PolarHBondContact O-N 3.01Å |
| 1145 | L | 64 | Low | 62.2 | Low | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 176.5 | -149.9 | 105.1 | 0 | 0 | 0 | 112.7 | W1141 Y1142 P1143 D1148 S1149 F1173 V1228 | W1141-L1145 PolarHBondContact O-N 2.93Å; Y1142-L1145 WeakPolarHBondContact O-CB 3.09Å; Y1142-L1145 PolarHBondContact O-N 2.7Å; Y1142-L1145 VanDerWaalsContact O-N 3.12Å; P1143-L1145 VanDerWaalsContact C-N 3.34Å; L1145-D1148 PolarHBondContact O-N 2.89Å; L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.18Å; L1145-S1149 VanDerWaalsContact O-N 3.11Å; L1145-S1149 PolarHBondContact O-OG 2.95Å; L1145-F1173 HydrophobicContact CD2-CD2 4.39Å; L1145-F1173 HydrophobicContact CD2-CE2 3.37Å; L1145-F1173 HydrophobicContact CD2-CZ 3.94Å; L1145-V1228 HydrophobicContact CD2-CG2 4.47Å |
| 1146 | C | 60 | Low | 62.3 | Low | 16 Ų | 16 | 59.8 Ų | 59.8 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 176.1 | -72 | 0 | 0 | 0 | 0 | 112.2 | Y1142 P1143 N1150 S1151 | Y1142-C1146 WeakPolarHBondContact CE1-SG 3.26Å; Y1142-C1146 PolarHBondContact O-N 3.26Å; Y1142-C1146 PolarHBondContact O-SG 3.22Å; P1143-C1146 PolarHBondContact O-N 2.88Å; C1146-N1150 PolarHBondContact O-N 2.86Å; C1146-S1151 WeakPolarHBondContact CB-OG 3.33Å; C1146-S1151 PolarHBondContact O-N 2.88Å; C1146-S1151 PolarHBondContact O-OG 3.17Å |
| 1147 | T | 58.2 | Low | 62.3 | Low | 88 Ų | 88 | 60 Ų | 60 | 54% | 0.54 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.6 | -35.1 | 177.7 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | P1143 Q1144 | P1143-T1147 WeakPolarHBondContact O-CG2 3.15Å; P1143-T1147 PolarHBondContact O-N 3.06Å; P1143-T1147 VanDerWaalsContact O-N 3.08Å; P1143-T1147 PolarHBondContact O-OG1 3.14Å; Q1144-T1147 WeakPolarHBondContact CA-OG1 3.26Å; Q1144-T1147 PolarHBondContact O-N 3.32Å; Q1144-T1147 PolarHBondContact O-OG1 3.02Å |
| 1148 | D | 55.5 | Low | 62.5 | Low | 145 Ų | 145 | 57.1 Ų | 57.1 | 78% | 0.775 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -75.5 | -33.1 | 179.6 | -71.5 | -11 | 0 | 0 | 0 | 112.5 | Q1144 L1145 | Q1144-D1148 VanDerWaalsContact O-CG 3.32Å; Q1144-D1148 PolarHBondContact O-N 3.01Å; L1145-D1148 PolarHBondContact O-N 2.89Å |
| 1149 | S | 51.8 | Low | 62.7 | Low | 33 Ų | 33 | 53.2 Ų | 53.2 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -90.7 | -7.6 | -177.5 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | L1145 S1151 | L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.18Å; L1145-S1149 VanDerWaalsContact O-N 3.11Å; L1145-S1149 PolarHBondContact O-OG 2.95Å; S1149-S1151 PolarHBondContact O-N 2.88Å |
| 1150 | N | 59.3 | Low | 62.6 | Low | 90 Ų | 90 | 53.4 Ų | 53.4 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 44 | -172.4 | -130.9 | 4.7 | 0 | 0 | 0 | 111.7 | C1146 K1152 | C1146-N1150 PolarHBondContact O-N 2.86Å; N1150-K1152 PolarHBondContact O-N 3.13Å |
| 1151 | S | 57 | Low | 62.2 | Low | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | trans | -52.4 | 121.8 | -172.6 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | C1146 S1149 D1171 | C1146-S1151 WeakPolarHBondContact CB-OG 3.33Å; C1146-S1151 PolarHBondContact O-N 2.88Å; C1146-S1151 PolarHBondContact O-OG 3.17Å; S1149-S1151 PolarHBondContact O-N 2.88Å; S1151-D1171 WeakPolarHBondContact CB-OD2 3.4Å | ||
| 1152 | K | 63.2 | Low | 61.8 | Low | 74 Ų | 74 | 53.4 Ų | 53.4 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | trans | -123.7 | 156.7 | 176.8 | -70.5 | 174.6 | -172.2 | 171.3 | 0 | 110.1 | C1086 N1150 H1154 L1169 S1170 | C1086-K1152 HydrophobicContact CB-CD 4.49Å; C1086-K1152 VanDerWaalsContact CB-NZ 3.33Å; N1150-K1152 PolarHBondContact O-N 3.13Å; K1152-H1154 PolarHBondContact O-N 3.46Å; K1152-L1169 CarbonylContact O-C 3.56Å; K1152-L1169 VanDerWaalsContact O-CA 3.29Å; K1152-L1169 WeakPolarHBondContact O-CA 3.35Å; K1152-S1170 PolarHBondContact N-OG 2.64Å; K1152-S1170 PolarHBondContact O-N 3.2Å; K1152-S1170 PolarHBondContact O-OG 2.83Å | ||
| 1153 | V | 58.3 | Low | 61.7 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 118.2 | 172.5 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | L1067 L1109 V1167 L1169 | L1067-V1153 WeakPolarHBondContact CD1-O 3.4Å; L1109-V1153 HydrophobicContact CD2-CG2 3.87Å; V1153-V1167 HydrophobicContact CB-CG1 4.39Å; V1153-V1167 HydrophobicContact CG1-CG1 3.71Å; V1153-V1167 HydrophobicContact CG2-CG1 3.87Å; V1153-L1169 HydrophobicContact CB-CD2 4.42Å; V1153-L1169 HydrophobicContact CG2-CD2 3.75Å |
| 1154 | H | 61.9 | Low | 62 | Low | 81 Ų | 81 | 53.4 Ų | 53.4 | 38% | 0.375 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -45.4 | 179.8 | -167.7 | 63.3 | 0 | 0 | 0 | 111.7 | K1152 C1168 A1232 | K1152-H1154 PolarHBondContact O-N 3.46Å; H1154-C1168 PolarHBondContact N-O 2.81Å; H1154-A1232 PolarHBondContact CD2-O 2.92Å |
| 1155 | L | 64.3 | Low | 62.6 | Low | 47 Ų | 47 | 48.1 Ų | 48.1 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 155.5 | 178.7 | -65.4 | 171.5 | 0 | 0 | 0 | 110.3 | C1168 A1232 V1235 | L1155-C1168 HydrophobicContact CB-CB 4.14Å; L1155-C1168 PolarHBondContact N-O 2.98Å; L1155-C1168 PolarHBondContact O-N 2.84Å; L1155-A1232 WeakPolarHBondContact CD1-O 3.49Å; L1155-V1235 HydrophobicContact CB-CG2 4.07Å; L1155-V1235 HydrophobicContact CD1-CG1 4.44Å; L1155-V1235 HydrophobicContact CD1-CG2 4.29Å |
| 1156 | A | 63.6 | Low | 63.2 | Low | 29 Ų | 29 | 46.7 Ų | 46.7 | 24% | 0.24 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C1069 M1081 A1166 | C1069-A1156 HydrophobicContact CB-CB 4.36Å; M1081-A1156 HydrophobicContact CE-CB 3.59Å; A1156-A1166 CarbonylContact C-O 3.56Å; A1156-A1166 VanDerWaalsContact CA-O 3.26Å; A1156-A1166 WeakPolarHBondContact CA-O 3.45Å |
| 1157 | S | 66.9 | Low | 64 | Low | 21 Ų | 21 | 46 Ų | 46 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 154.1 | 176.8 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | A1166 | S1157-A1166 PolarHBondContact N-O 3.1Å; S1157-A1166 PolarHBondContact O-N 3.01Å |
| 1158 | V | 64.5 | Low | 64.8 | Low | 20 Ų | 20 | 41.9 Ų | 41.9 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.6 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | A1071 I1164 I1165 F1237 | A1071-V1158 HydrophobicContact CB-CB 3.86Å; A1071-V1158 HydrophobicContact CB-CG1 4.09Å; A1071-V1158 HydrophobicContact CB-CG2 4.34Å; V1158-I1164 CarbonylContact C-O 3.59Å; V1158-I1164 WeakPolarHBondContact CA-O 3.37Å; V1158-I1165 HydrophobicContact CG1-CG1 4.42Å; V1158-I1165 HydrophobicContact CG2-CG1 4.29Å; V1158-F1237 VanDerWaalsContact C-CD2 3.4Å; V1158-F1237 WeakPolarHBondContact O-CD2 3.46Å |
| 1159 | S | 66.9 | Low | 65.8 | Low | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | trans | -65.8 | 159.8 | 176 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | D1161 G1162 N1163 I1164 | S1159-D1161 VanDerWaalsContact C-N 3.29Å; S1159-D1161 WeakPolarHBondContact CB-OD1 3.13Å; S1159-D1161 PolarHBondContact O-N 3.27Å; S1159-D1161 PolarHBondContact OG-OD1 3.39Å; S1159-G1162 WeakPolarHBondContact O-CA 3.22Å; S1159-G1162 PolarHBondContact O-N 3.4Å; S1159-N1163 PolarHBondContact OG-N 2.86Å; S1159-I1164 PolarHBondContact N-O 2.99Å; S1159-I1164 WeakPolarHBondContact OG-CA 3.38Å; S1159-I1164 PolarHBondContact OG-N 2.96Å; S1159-I1164 PolarHBondContact OG-O 3.26Å; S1159-I1164 VanDerWaalsContact OG-O 3.06Å | ||
| 1160 | E | 62.2 | Low | 66.7 | Low | 151 Ų | 151 | 35.6 Ų | 35.6 | 71% | 0.706 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34 | -175.9 | -173.3 | 174.7 | -172.8 | 0 | 0 | 113.3 | G1162 P1239 | E1160-G1162 PolarHBondContact O-N 3.26Å; E1160-P1239 WeakPolarHBondContact OE2-CB 3.43Å |
| 1161 | D | 58.4 | Low | 67.3 | Low | 89 Ų | 89 | 31.4 Ų | 31.4 | 48% | 0.476 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -12.7 | 173.1 | 58.3 | 4.1 | 0 | 0 | 0 | 113.2 | S1159 N1163 | S1159-D1161 VanDerWaalsContact C-N 3.29Å; S1159-D1161 WeakPolarHBondContact CB-OD1 3.13Å; S1159-D1161 PolarHBondContact O-N 3.27Å; S1159-D1161 PolarHBondContact OG-OD1 3.39Å; D1161-N1163 PolarHBondContact O-N 2.81Å; D1161-N1163 PolarHBondContact O-OD1 3.38Å; D1161-N1163 PolarHBondContact OD1-N 2.81Å |
| 1162 | G | 61.4 | Low | 68.3 | Low | 21 Ų | 21 | 31.1 Ų | 31.1 | 22% | 0.216 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 76 | 3.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1159 E1160 L1179 | S1159-G1162 WeakPolarHBondContact O-CA 3.22Å; S1159-G1162 PolarHBondContact O-N 3.4Å; E1160-G1162 PolarHBondContact O-N 3.26Å; G1162-L1179 WeakPolarHBondContact O-CD1 3.44Å |
| 1163 | N | 69.8 | Low | 69.2 | Low | 48 Ų | 48 | 27.6 Ų | 27.6 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | trans | -92 | -22.7 | -170.7 | -65.9 | -4.5 | 0 | 0 | 0 | 113.2 | S1159 D1161 N1178 L1179 D1180 | S1159-N1163 PolarHBondContact OG-N 2.86Å; D1161-N1163 PolarHBondContact O-N 2.81Å; D1161-N1163 PolarHBondContact O-OD1 3.38Å; D1161-N1163 PolarHBondContact OD1-N 2.81Å; N1163-N1178 CarbonylContact O-C 3.59Å; N1163-N1178 WeakPolarHBondContact O-CA 3.4Å; N1163-L1179 WeakPolarHBondContact O-CB 3.42Å; N1163-L1179 PolarHBondContact O-N 3.45Å; N1163-D1180 VanDerWaalsContact CG-OD2 3.24Å; N1163-D1180 PolarHBondContact ND2-OD2 3.36Å | ||
| 1164 | I | 71.3 | Confident | 70.6 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.9 | -178.2 | -54.1 | -173.9 | 0 | 0 | 0 | 110.5 | V1158 S1159 F1176 Y1177 I1185 F1237 I1255 | V1158-I1164 CarbonylContact C-O 3.59Å; V1158-I1164 WeakPolarHBondContact CA-O 3.37Å; S1159-I1164 PolarHBondContact N-O 2.99Å; S1159-I1164 WeakPolarHBondContact OG-CA 3.38Å; S1159-I1164 PolarHBondContact OG-N 2.96Å; S1159-I1164 PolarHBondContact OG-O 3.26Å; S1159-I1164 VanDerWaalsContact OG-O 3.06Å; I1164-F1176 HydrophobicContact CG2-CB 4.37Å; I1164-F1176 HydrophobicContact CG2-CD1 4.33Å; I1164-Y1177 CarbonylContact C-O 3.57Å; I1164-Y1177 VanDerWaalsContact CA-O 3.31Å; I1164-Y1177 WeakPolarHBondContact CA-O 3.48Å; I1164-I1185 HydrophobicContact CD1-CD1 3.95Å; I1164-I1185 HydrophobicContact CG2-CD1 4.18Å; I1164-F1237 HydrophobicContact CG2-CE1 4.31Å; I1164-F1237 HydrophobicContact CG2-CZ 4.04Å; I1164-I1255 HydrophobicContact CD1-CD1 3.28Å; I1164-I1255 HydrophobicContact CG1-CD1 4.39Å |
| 1165 | I | 75.2 | Confident | 71.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.5 | 177.7 | -58.9 | 171.1 | 0 | 0 | 0 | 108.5 | M1081 V1112 L1131 V1158 V1167 F1176 Y1177 L1179 | M1081-I1165 HydrophobicContact CE-CG2 3.22Å; M1081-I1165 HydrophobicContact SD-CD1 3.71Å; M1081-I1165 HydrophobicContact SD-CG1 4.38Å; M1081-I1165 HydrophobicContact SD-CG2 3.72Å; V1112-I1165 HydrophobicContact CG2-CD1 4.14Å; L1131-I1165 HydrophobicContact CD1-CD1 4.06Å; V1158-I1165 HydrophobicContact CG1-CG1 4.42Å; V1158-I1165 HydrophobicContact CG2-CG1 4.29Å; I1165-V1167 HydrophobicContact CG2-CG2 3.92Å; I1165-F1176 CarbonylContact O-C 3.56Å; I1165-F1176 WeakPolarHBondContact O-CA 3.24Å; I1165-Y1177 PolarHBondContact N-O 2.95Å; I1165-Y1177 PolarHBondContact O-N 2.97Å; I1165-L1179 HydrophobicContact CD1-CD1 3.67Å; I1165-L1179 HydrophobicContact CD1-CD2 3.76Å; I1165-L1179 HydrophobicContact CD1-CG 3.77Å; I1165-L1179 HydrophobicContact CG1-CD1 3.97Å; I1165-L1179 HydrophobicContact CG1-CG 4.19Å |
| 1166 | A | 77.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | A1156 S1157 W1175 F1176 F1237 F1257 | A1156-A1166 CarbonylContact C-O 3.56Å; A1156-A1166 VanDerWaalsContact CA-O 3.26Å; A1156-A1166 WeakPolarHBondContact CA-O 3.45Å; S1157-A1166 PolarHBondContact N-O 3.1Å; S1157-A1166 PolarHBondContact O-N 3.01Å; A1166-W1175 CarbonylContact C-O 3.6Å; A1166-W1175 WeakPolarHBondContact CA-O 3.41Å; A1166-F1176 HydrophobicContact CB-CD1 3.84Å; A1166-F1176 HydrophobicContact CB-CE1 3.63Å; A1166-F1176 HydrophobicContact CB-CZ 4.39Å; A1166-F1237 HydrophobicContact CB-CE2 3.56Å; A1166-F1237 HydrophobicContact CB-CZ 3.58Å; A1166-F1257 HydrophobicContact CB-CD2 4.13Å; A1166-F1257 HydrophobicContact CB-CE2 3.46Å; A1166-F1257 VanDerWaalsContact CB-CE2 3.46Å; A1166-F1257 HydrophobicContact CB-CZ 3.88Å |
| 1167 | V | 76.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 109 | L1109 V1153 I1165 L1169 I1174 W1175 W1184 | L1109-V1167 HydrophobicContact CD2-CG1 3.84Å; V1153-V1167 HydrophobicContact CB-CG1 4.39Å; V1153-V1167 HydrophobicContact CG1-CG1 3.71Å; V1153-V1167 HydrophobicContact CG2-CG1 3.87Å; I1165-V1167 HydrophobicContact CG2-CG2 3.92Å; V1167-L1169 HydrophobicContact CG1-CD2 4.23Å; V1167-I1174 WeakPolarHBondContact O-CA 3.41Å; V1167-W1175 PolarHBondContact N-O 3.08Å; V1167-W1175 PolarHBondContact O-N 3.43Å; V1167-W1184 HydrophobicContact CG2-CH2 4.3Å |
| 1168 | C | 75.5 | Confident | 73.7 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.02 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.6 | 177.4 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | H1154 L1155 I1174 | H1154-C1168 PolarHBondContact N-O 2.81Å; L1155-C1168 HydrophobicContact CB-CB 4.14Å; L1155-C1168 PolarHBondContact N-O 2.98Å; L1155-C1168 PolarHBondContact O-N 2.84Å; C1168-I1174 HydrophobicContact CB-CG1 4.39Å |
| 1169 | L | 76.8 | Confident | 73.8 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 155.5 | 178.1 | -59.6 | -179.8 | 0 | 0 | 0 | 110.6 | L1109 L1133 Y1142 K1152 V1153 V1167 D1171 G1172 F1173 | L1109-L1169 HydrophobicContact CD2-CD2 4.44Å; L1133-L1169 HydrophobicContact CD1-CD1 4.28Å; Y1142-L1169 WeakPolarHBondContact OH-CD1 3.5Å; K1152-L1169 CarbonylContact O-C 3.56Å; K1152-L1169 VanDerWaalsContact O-CA 3.29Å; K1152-L1169 WeakPolarHBondContact O-CA 3.35Å; V1153-L1169 HydrophobicContact CB-CD2 4.42Å; V1153-L1169 HydrophobicContact CG2-CD2 3.75Å; V1167-L1169 HydrophobicContact CG1-CD2 4.23Å; L1169-D1171 WeakPolarHBondContact CB-OD1 3.35Å; L1169-D1171 PolarHBondContact O-N 3.44Å; L1169-G1172 PolarHBondContact O-N 2.95Å; L1169-G1172 VanDerWaalsContact O-N 3.1Å; L1169-F1173 PolarHBondContact N-O 3.42Å |
| 1170 | S | 69.9 | Low | 73.8 | Confident | 45 Ų | 45 | 25 Ų | 25 | 32% | 0.315 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.6 | -179.3 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | K1152 G1172 | K1152-S1170 PolarHBondContact N-OG 2.64Å; K1152-S1170 PolarHBondContact O-N 3.2Å; K1152-S1170 PolarHBondContact O-OG 2.83Å; S1170-G1172 PolarHBondContact O-N 2.94Å |
| 1171 | D | 73.2 | Confident | 74.1 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.3 | 174.6 | 63 | 2.7 | 0 | 0 | 0 | 113.3 | S1151 L1169 F1173 V1228 G1229 | S1151-D1171 WeakPolarHBondContact CB-OD2 3.4Å; L1169-D1171 WeakPolarHBondContact CB-OD1 3.35Å; L1169-D1171 PolarHBondContact O-N 3.44Å; D1171-F1173 HydrophobicContact CB-CD2 4.41Å; D1171-F1173 PolarHBondContact OD1-N 3.24Å; D1171-V1228 HydrophobicContact CB-CG1 4.38Å; D1171-V1228 WeakPolarHBondContact O-CA 3.45Å; D1171-V1228 WeakPolarHBondContact O-CG1 3.46Å; D1171-G1229 PolarHBondContact O-N 3.46Å |
| 1172 | G | 76.8 | Confident | 74.5 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 86.2 | 10.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1169 S1170 T1190 | L1169-G1172 PolarHBondContact O-N 2.95Å; L1169-G1172 VanDerWaalsContact O-N 3.1Å; S1170-G1172 PolarHBondContact O-N 2.94Å; G1172-T1190 VanDerWaalsContact CA-OG1 3.29Å; G1172-T1190 WeakPolarHBondContact CA-OG1 3.22Å; G1172-T1190 VanDerWaalsContact O-CB 3.31Å; G1172-T1190 WeakPolarHBondContact O-CB 3.17Å; G1172-T1190 WeakPolarHBondContact O-CG2 3.3Å; G1172-T1190 PolarHBondContact O-N 2.82Å; G1172-T1190 PolarHBondContact O-OG1 3.1Å |
| 1173 | F | 83 | Confident | 74.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 139.3 | 169.6 | -73 | -91.7 | 0 | 0 | 0 | 112 | W1141 Y1142 L1145 L1169 D1171 I1188 V1226 L1288 | W1141-F1173 HydrophobicContact CH2-CE1 4.45Å; W1141-F1173 HydrophobicContact CH2-CZ 4.32Å; W1141-F1173 HydrophobicContact CZ3-CZ 4.16Å; Y1142-F1173 HydrophobicContact CD2-CE1 4.32Å; Y1142-F1173 HydrophobicContact CD2-CZ 4.27Å; Y1142-F1173 HydrophobicContact CE2-CB 4.46Å; Y1142-F1173 AromaticContact CE2-CD1 3.95Å; Y1142-F1173 HydrophobicContact CE2-CD1 3.95Å; Y1142-F1173 AromaticContact CE2-CD2 3.93Å; Y1142-F1173 HydrophobicContact CE2-CD2 3.93Å; Y1142-F1173 HydrophobicContact CE2-CE1 4.08Å; Y1142-F1173 HydrophobicContact CE2-CE2 4.11Å; Y1142-F1173 AromaticContact CE2-CG 3.84Å; Y1142-F1173 HydrophobicContact CE2-CG 3.84Å; Y1142-F1173 HydrophobicContact CE2-CZ 4.15Å; L1145-F1173 HydrophobicContact CD2-CD2 4.39Å; L1145-F1173 HydrophobicContact CD2-CE2 3.37Å; L1145-F1173 HydrophobicContact CD2-CZ 3.94Å; L1169-F1173 PolarHBondContact N-O 3.42Å; D1171-F1173 HydrophobicContact CB-CD2 4.41Å; D1171-F1173 PolarHBondContact OD1-N 3.24Å; F1173-I1188 WeakPolarHBondContact CA-O 3.31Å; F1173-V1226 HydrophobicContact CE1-CG1 4.17Å; F1173-V1226 HydrophobicContact CZ-CG1 3.68Å; F1173-L1288 HydrophobicContact CE1-CD1 4.46Å; F1173-L1288 HydrophobicContact CE1-CD2 4.34Å |
| 1174 | I | 86.2 | Confident | 75.2 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.8 | 176.2 | -50.4 | 179.3 | 0 | 0 | 0 | 108.4 | V1167 C1168 F1176 C1187 I1188 T1190 F1257 A1259 | V1167-I1174 WeakPolarHBondContact O-CA 3.41Å; C1168-I1174 HydrophobicContact CB-CG1 4.39Å; I1174-F1176 HydrophobicContact CB-CE2 4.4Å; I1174-F1176 HydrophobicContact CG2-CE2 3.75Å; I1174-F1176 HydrophobicContact CG2-CZ 3.78Å; I1174-C1187 WeakPolarHBondContact O-CA 3.28Å; I1174-I1188 HydrophobicContact CB-CB 4.3Å; I1174-I1188 PolarHBondContact N-O 2.69Å; I1174-I1188 PolarHBondContact O-N 3.38Å; I1174-T1190 HydrophobicContact CD1-CG2 4Å; I1174-T1190 HydrophobicContact CG1-CG2 4.24Å; I1174-F1257 HydrophobicContact CD1-CE1 4.04Å; I1174-F1257 HydrophobicContact CG2-CE1 3.98Å; I1174-F1257 HydrophobicContact CG2-CZ 4.12Å; I1174-A1259 HydrophobicContact CD1-CB 4.27Å |
| 1175 | W | 83.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.2 | -176.1 | -73.2 | 86.2 | 0 | 0 | 0 | 111.3 | L1133 P1134 Y1142 A1166 V1167 W1184 C1187 I1282 L1283 | L1133-W1175 HydrophobicContact CD2-CD2 3.95Å; L1133-W1175 HydrophobicContact CD2-CE3 4.43Å; L1133-W1175 HydrophobicContact CD2-CG 4.09Å; P1134-W1175 HydrophobicContact CG-CH2 4.24Å; P1134-W1175 HydrophobicContact CG-CZ3 3.83Å; Y1142-W1175 HydrophobicContact CD1-CZ2 4.35Å; Y1142-W1175 AromaticContact CE1-CZ2 3.69Å; Y1142-W1175 HydrophobicContact CE1-CZ2 3.69Å; Y1142-W1175 AromaticContact CE2-CZ2 3.92Å; Y1142-W1175 HydrophobicContact CE2-CZ2 3.92Å; Y1142-W1175 AromaticContact CZ-CE2 3.84Å; Y1142-W1175 AromaticContact CZ-CZ2 3.47Å; Y1142-W1175 VanDerWaalsContact CZ-CZ2 3.47Å; Y1142-W1175 AromaticContact CZ-NE1 3.63Å; Y1142-W1175 PolarHBondContact OH-NE1 3.39Å; A1166-W1175 CarbonylContact C-O 3.6Å; A1166-W1175 WeakPolarHBondContact CA-O 3.41Å; V1167-W1175 PolarHBondContact N-O 3.08Å; V1167-W1175 PolarHBondContact O-N 3.43Å; W1175-W1184 HydrophobicContact CB-CE3 3.66Å; W1175-W1184 HydrophobicContact CB-CH2 4.11Å; W1175-W1184 HydrophobicContact CB-CZ3 3.3Å; W1175-W1184 HydrophobicContact CD2-CE3 4.43Å; W1175-W1184 HydrophobicContact CE3-CB 4.45Å; W1175-W1184 HydrophobicContact CE3-CD2 4.04Å; W1175-W1184 AromaticContact CE3-CE3 3.87Å; W1175-W1184 HydrophobicContact CE3-CE3 3.87Å; W1175-W1184 HydrophobicContact CE3-CG 4.31Å; W1175-W1184 HydrophobicContact CG-CE3 4.42Å; W1175-W1184 HydrophobicContact CG-CZ3 4.29Å; W1175-C1187 HydrophobicContact CD2-CB 4.11Å; W1175-C1187 HydrophobicContact CE3-CB 3.97Å; W1175-C1187 HydrophobicContact CH2-CB 4.16Å; W1175-C1187 HydrophobicContact CZ2-CB 4.28Å; W1175-C1187 HydrophobicContact CZ3-CB 4Å; W1175-I1282 HydrophobicContact CZ3-CG2 4.46Å; W1175-L1283 HydrophobicContact CH2-CD1 3.88Å; W1175-L1283 HydrophobicContact CH2-CD2 4.1Å; W1175-L1283 HydrophobicContact CH2-CG 4.02Å; W1175-L1283 HydrophobicContact CZ2-CD1 4.35Å; W1175-L1283 HydrophobicContact CZ2-CD2 4.17Å |
| 1176 | F | 85.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.8 | 178.9 | -62.2 | -93.3 | 0 | 0 | 0 | 110.8 | I1164 I1165 A1166 I1174 W1184 I1185 S1186 I1188 F1237 F1257 L1270 | I1164-F1176 HydrophobicContact CG2-CB 4.37Å; I1164-F1176 HydrophobicContact CG2-CD1 4.33Å; I1165-F1176 CarbonylContact O-C 3.56Å; I1165-F1176 WeakPolarHBondContact O-CA 3.24Å; A1166-F1176 HydrophobicContact CB-CD1 3.84Å; A1166-F1176 HydrophobicContact CB-CE1 3.63Å; A1166-F1176 HydrophobicContact CB-CZ 4.39Å; I1174-F1176 HydrophobicContact CB-CE2 4.4Å; I1174-F1176 HydrophobicContact CG2-CE2 3.75Å; I1174-F1176 HydrophobicContact CG2-CZ 3.78Å; F1176-W1184 WeakPolarHBondContact O-CA 3.37Å; F1176-I1185 HydrophobicContact CB-CD1 4.08Å; F1176-I1185 HydrophobicContact CB-CG1 3.76Å; F1176-I1185 VanDerWaalsContact O-CG1 3.29Å; F1176-I1185 WeakPolarHBondContact O-CG1 3.45Å; F1176-I1185 PolarHBondContact O-N 2.72Å; F1176-S1186 WeakPolarHBondContact CB-OG 3.33Å; F1176-S1186 WeakPolarHBondContact CD2-OG 3.15Å; F1176-S1186 PolarHBondContact N-O 3.23Å; F1176-I1188 HydrophobicContact CE2-CD1 3.52Å; F1176-I1188 HydrophobicContact CE2-CG1 3.91Å; F1176-I1188 HydrophobicContact CZ-CD1 4.01Å; F1176-F1237 HydrophobicContact CD1-CE1 4.2Å; F1176-F1237 AromaticContact CD1-CZ 3.94Å; F1176-F1237 HydrophobicContact CD1-CZ 3.94Å; F1176-F1237 HydrophobicContact CE1-CE1 4.05Å; F1176-F1237 AromaticContact CE1-CZ 3.94Å; F1176-F1237 HydrophobicContact CE1-CZ 3.94Å; F1176-F1257 HydrophobicContact CE1-CB 4.02Å; F1176-F1257 HydrophobicContact CE1-CD1 4.03Å; F1176-F1257 AromaticContact CE1-CD2 3.78Å; F1176-F1257 HydrophobicContact CE1-CD2 3.78Å; F1176-F1257 HydrophobicContact CE1-CE1 4.41Å; F1176-F1257 HydrophobicContact CE1-CE2 4.18Å; F1176-F1257 AromaticContact CE1-CG 3.67Å; F1176-F1257 HydrophobicContact CE1-CG 3.67Å; F1176-F1257 HydrophobicContact CE1-CZ 4.46Å; F1176-F1257 HydrophobicContact CZ-CB 4.16Å; F1176-F1257 AromaticContact CZ-CD1 3.59Å; F1176-F1257 HydrophobicContact CZ-CD1 3.59Å; F1176-F1257 HydrophobicContact CZ-CD2 4.21Å; F1176-F1257 AromaticContact CZ-CE1 3.93Å; F1176-F1257 HydrophobicContact CZ-CE1 3.93Å; F1176-F1257 AromaticContact CZ-CG 3.72Å; F1176-F1257 HydrophobicContact CZ-CG 3.72Å; F1176-F1257 HydrophobicContact CZ-CZ 4.36Å; F1176-L1270 HydrophobicContact CB-CD2 4.45Å; F1176-L1270 HydrophobicContact CD1-CD1 3.64Å; F1176-L1270 HydrophobicContact CD1-CD2 3.89Å; F1176-L1270 HydrophobicContact CD1-CG 4.4Å; F1176-L1270 HydrophobicContact CD2-CD2 3.75Å; F1176-L1270 HydrophobicContact CE1-CD1 3.78Å; F1176-L1270 HydrophobicContact CE1-CD2 4.01Å; F1176-L1270 HydrophobicContact CE1-CG 4.38Å; F1176-L1270 HydrophobicContact CE2-CD2 3.89Å; F1176-L1270 HydrophobicContact CG-CD1 4.26Å; F1176-L1270 HydrophobicContact CG-CD2 3.75Å; F1176-L1270 HydrophobicContact CZ-CD2 4.01Å |
| 1177 | Y | 74.8 | Confident | 76.1 | Confident | 24 Ų | 24 | 20.8 Ų | 20.8 | 9% | 0.094 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.2 | 179.4 | -169.4 | -94.4 | 0 | 0 | 0 | 110.2 | L1131 I1164 I1165 L1179 I1182 W1184 | L1131-Y1177 HydrophobicContact CD2-CD1 3.66Å; L1131-Y1177 HydrophobicContact CD2-CD2 4.25Å; L1131-Y1177 HydrophobicContact CD2-CE1 3.55Å; L1131-Y1177 HydrophobicContact CD2-CE2 4.17Å; L1131-Y1177 HydrophobicContact CD2-CG 4Å; I1164-Y1177 CarbonylContact C-O 3.57Å; I1164-Y1177 VanDerWaalsContact CA-O 3.31Å; I1164-Y1177 WeakPolarHBondContact CA-O 3.48Å; I1165-Y1177 PolarHBondContact N-O 2.95Å; I1165-Y1177 PolarHBondContact O-N 2.97Å; Y1177-L1179 HydrophobicContact CD1-CD2 4.13Å; Y1177-L1179 HydrophobicContact CD1-CG 4.47Å; Y1177-L1179 HydrophobicContact CE1-CD2 4.05Å; Y1177-I1182 WeakPolarHBondContact OH-CG2 3.22Å; Y1177-I1182 PolarHBondContact OH-O 3.32Å; Y1177-W1184 AromaticContact CD2-CD2 3.68Å; Y1177-W1184 HydrophobicContact CD2-CD2 3.68Å; Y1177-W1184 AromaticContact CD2-CE2 3.63Å; Y1177-W1184 HydrophobicContact CD2-CE3 4.08Å; Y1177-W1184 AromaticContact CD2-CG 3.96Å; Y1177-W1184 HydrophobicContact CD2-CG 3.96Å; Y1177-W1184 HydrophobicContact CD2-CH2 4.4Å; Y1177-W1184 HydrophobicContact CD2-CZ2 4.01Å; Y1177-W1184 HydrophobicContact CD2-CZ3 4.4Å; Y1177-W1184 AromaticContact CD2-NE1 3.85Å; Y1177-W1184 HydrophobicContact CG-CE3 4.47Å |
| 1178 | N | 78.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.027 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.4 | 175.2 | -172.9 | -31.1 | 0 | 0 | 0 | 109.7 | N1163 D1180 I1181 I1182 C1183 I1185 | N1163-N1178 CarbonylContact O-C 3.59Å; N1163-N1178 WeakPolarHBondContact O-CA 3.4Å; N1178-D1180 WeakPolarHBondContact OD1-CA 3.47Å; N1178-D1180 WeakPolarHBondContact OD1-CB 3.44Å; N1178-D1180 PolarHBondContact OD1-N 3.47Å; N1178-I1181 PolarHBondContact OD1-N 2.88Å; N1178-I1182 WeakPolarHBondContact O-CA 3.42Å; N1178-I1182 PolarHBondContact O-N 2.96Å; N1178-C1183 PolarHBondContact N-O 2.85Å; N1178-C1183 PolarHBondContact O-N 3.4Å; N1178-I1185 HydrophobicContact CB-CD1 4.4Å; N1178-I1185 HydrophobicContact CB-CG2 3.69Å |
| 1179 | L | 68.1 | Low | 77.1 | Confident | 24 Ų | 24 | 20.8 Ų | 20.8 | 13% | 0.126 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -26.2 | 179.7 | -72.6 | 172 | 0 | 0 | 0 | 113.4 | L1079 R1129 G1162 N1163 I1165 Y1177 | L1079-L1179 HydrophobicContact CD1-CD1 4.28Å; R1129-L1179 PolarHBondContact NH1-O 2.96Å; G1162-L1179 WeakPolarHBondContact O-CD1 3.44Å; N1163-L1179 WeakPolarHBondContact O-CB 3.42Å; N1163-L1179 PolarHBondContact O-N 3.45Å; I1165-L1179 HydrophobicContact CD1-CD1 3.67Å; I1165-L1179 HydrophobicContact CD1-CD2 3.76Å; I1165-L1179 HydrophobicContact CD1-CG 3.77Å; I1165-L1179 HydrophobicContact CG1-CD1 3.97Å; I1165-L1179 HydrophobicContact CG1-CG 4.19Å; Y1177-L1179 HydrophobicContact CD1-CD2 4.13Å; Y1177-L1179 HydrophobicContact CD1-CG 4.47Å; Y1177-L1179 HydrophobicContact CE1-CD2 4.05Å |
| 1180 | D | 66.3 | Low | 77.5 | Confident | 104 Ų | 104 | 20.7 Ų | 20.7 | 56% | 0.556 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -50.7 | 176.7 | -69.4 | -24.2 | 0 | 0 | 0 | 111.1 | N1163 N1178 | N1163-D1180 VanDerWaalsContact CG-OD2 3.24Å; N1163-D1180 PolarHBondContact ND2-OD2 3.36Å; N1178-D1180 WeakPolarHBondContact OD1-CA 3.47Å; N1178-D1180 WeakPolarHBondContact OD1-CB 3.44Å; N1178-D1180 PolarHBondContact OD1-N 3.47Å |
| 1181 | I | 67.5 | Low | 78.2 | Confident | 64 Ų | 64 | 21.2 Ų | 21.2 | 33% | 0.328 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -16.9 | -178 | -49 | 175.1 | 0 | 0 | 0 | 111.2 | N1178 | N1178-I1181 PolarHBondContact OD1-N 2.88Š|
| 1182 | I | 67.3 | Low | 78.7 | Confident | 88 Ų | 88 | 21.3 Ų | 21.3 | 45% | 0.451 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 45.8 | 177.9 | -40.3 | -177.7 | 0 | 0 | 0 | 111.5 | Y1177 N1178 | Y1177-I1182 WeakPolarHBondContact OH-CG2 3.22Å; Y1177-I1182 PolarHBondContact OH-O 3.32Å; N1178-I1182 WeakPolarHBondContact O-CA 3.42Å; N1178-I1182 PolarHBondContact O-N 2.96Å |
| 1183 | C | 70.7 | Confident | 79.1 | Confident | 33 Ų | 33 | 21.2 Ų | 21.2 | 22% | 0.223 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.5 | 178.1 | 66 | 0 | 0 | 0 | 0 | 112.7 | N1178 | N1178-C1183 PolarHBondContact N-O 2.85Å; N1178-C1183 PolarHBondContact O-N 3.4Å |
| 1184 | W | 75.8 | Confident | 79 | Confident | 6 Ų | 6 | 23 Ų | 23 | 2% | 0.023 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 127.3 | 165.6 | -65.8 | 94.6 | 0 | 0 | 0 | 109.1 | L1109 R1132 L1133 P1134 V1167 W1175 F1176 Y1177 E1279 I1282 | L1109-W1184 HydrophobicContact CD1-CH2 3.9Å; L1109-W1184 HydrophobicContact CD1-CZ2 3.42Å; L1109-W1184 VanDerWaalsContact CD1-CZ2 3.42Å; R1132-W1184 PolarHBondContact O-NE1 3.46Å; L1133-W1184 HydrophobicContact CD2-CH2 4.33Å; L1133-W1184 HydrophobicContact CD2-CZ2 4.04Å; P1134-W1184 HydrophobicContact CG-CB 4.2Å; P1134-W1184 VanDerWaalsContact CG-CD1 3.46Å; P1134-W1184 HydrophobicContact CG-CG 3.85Å; V1167-W1184 HydrophobicContact CG2-CH2 4.3Å; W1175-W1184 HydrophobicContact CB-CE3 3.66Å; W1175-W1184 HydrophobicContact CB-CH2 4.11Å; W1175-W1184 HydrophobicContact CB-CZ3 3.3Å; W1175-W1184 HydrophobicContact CD2-CE3 4.43Å; W1175-W1184 HydrophobicContact CE3-CB 4.45Å; W1175-W1184 HydrophobicContact CE3-CD2 4.04Å; W1175-W1184 AromaticContact CE3-CE3 3.87Å; W1175-W1184 HydrophobicContact CE3-CE3 3.87Å; W1175-W1184 HydrophobicContact CE3-CG 4.31Å; W1175-W1184 HydrophobicContact CG-CE3 4.42Å; W1175-W1184 HydrophobicContact CG-CZ3 4.29Å; F1176-W1184 WeakPolarHBondContact O-CA 3.37Å; Y1177-W1184 AromaticContact CD2-CD2 3.68Å; Y1177-W1184 HydrophobicContact CD2-CD2 3.68Å; Y1177-W1184 AromaticContact CD2-CE2 3.63Å; Y1177-W1184 HydrophobicContact CD2-CE3 4.08Å; Y1177-W1184 AromaticContact CD2-CG 3.96Å; Y1177-W1184 HydrophobicContact CD2-CG 3.96Å; Y1177-W1184 HydrophobicContact CD2-CH2 4.4Å; Y1177-W1184 HydrophobicContact CD2-CZ2 4.01Å; Y1177-W1184 HydrophobicContact CD2-CZ3 4.4Å; Y1177-W1184 AromaticContact CD2-NE1 3.85Å; Y1177-W1184 HydrophobicContact CG-CE3 4.47Å; W1184-E1279 PolarHBondContact N-OE1 2.86Å; W1184-I1282 HydrophobicContact CB-CD1 4.14Å; W1184-I1282 WeakPolarHBondContact O-CD1 3.46Å |
| 1185 | I | 77.7 | Confident | 78.6 | Confident | 32 Ų | 32 | 25.6 Ų | 25.6 | 16% | 0.164 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -34 | -175 | 51.7 | 163.8 | 0 | 0 | 0 | 112.8 | I1164 F1176 N1178 T1273 | I1164-I1185 HydrophobicContact CD1-CD1 3.95Å; I1164-I1185 HydrophobicContact CG2-CD1 4.18Å; F1176-I1185 HydrophobicContact CB-CD1 4.08Å; F1176-I1185 HydrophobicContact CB-CG1 3.76Å; F1176-I1185 VanDerWaalsContact O-CG1 3.29Å; F1176-I1185 WeakPolarHBondContact O-CG1 3.45Å; F1176-I1185 PolarHBondContact O-N 2.72Å; N1178-I1185 HydrophobicContact CB-CD1 4.4Å; N1178-I1185 HydrophobicContact CB-CG2 3.69Å; I1185-T1273 HydrophobicContact CD1-CG2 4.31Å |
| 1186 | S | 81.2 | Confident | 78.3 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 159.1 | -178.6 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | F1176 L1270 | F1176-S1186 WeakPolarHBondContact CB-OG 3.33Å; F1176-S1186 WeakPolarHBondContact CD2-OG 3.15Å; F1176-S1186 PolarHBondContact N-O 3.23Å; S1186-L1270 WeakPolarHBondContact OG-CD2 3.26Å |
| 1187 | C | 83.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 138.5 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | I1174 W1175 I1282 L1288 | I1174-C1187 WeakPolarHBondContact O-CA 3.28Å; W1175-C1187 HydrophobicContact CD2-CB 4.11Å; W1175-C1187 HydrophobicContact CE3-CB 3.97Å; W1175-C1187 HydrophobicContact CH2-CB 4.16Å; W1175-C1187 HydrophobicContact CZ2-CB 4.28Å; W1175-C1187 HydrophobicContact CZ3-CB 4Å; C1187-I1282 HydrophobicContact CB-CG2 3.64Å; C1187-L1288 HydrophobicContact CB-CD1 4.32Å |
| 1188 | I | 86.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.3 | -178.3 | -63.7 | -178.4 | 0 | 0 | 0 | 108.6 | F1173 I1174 F1176 W1268 | F1173-I1188 WeakPolarHBondContact CA-O 3.31Å; I1174-I1188 HydrophobicContact CB-CB 4.3Å; I1174-I1188 PolarHBondContact N-O 2.69Å; I1174-I1188 PolarHBondContact O-N 3.38Å; F1176-I1188 HydrophobicContact CE2-CD1 3.52Å; F1176-I1188 HydrophobicContact CE2-CG1 3.91Å; F1176-I1188 HydrophobicContact CZ-CD1 4.01Å; I1188-W1268 HydrophobicContact CD1-CB 3.86Å; I1188-W1268 HydrophobicContact CD1-CD2 3.97Å; I1188-W1268 HydrophobicContact CD1-CG 3.59Å; I1188-W1268 HydrophobicContact CG2-CD2 4.43Å; I1188-W1268 HydrophobicContact CG2-CZ2 3.99Å |
| 1189 | S | 86.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.8 | 170.8 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | K1191 L1192 S1193 S1292 | S1189-K1191 VanDerWaalsContact C-N 3.25Å; S1189-K1191 PolarHBondContact O-N 3.35Å; S1189-L1192 PolarHBondContact O-N 3.16Å; S1189-S1193 PolarHBondContact O-N 3.25Å; S1189-S1193 VanDerWaalsContact O-N 3.08Å; S1189-S1193 PolarHBondContact O-OG 3.27Å; S1189-S1193 VanDerWaalsContact O-OG 3.05Å; S1189-S1292 PolarHBondContact N-OG 2.73Å |
| 1190 | T | 85.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -31.1 | 178.4 | 54 | 0 | 0 | 0 | 0 | 113.1 | G1172 I1174 S1193 I1194 P1230 L1261 | G1172-T1190 VanDerWaalsContact CA-OG1 3.29Å; G1172-T1190 WeakPolarHBondContact CA-OG1 3.22Å; G1172-T1190 VanDerWaalsContact O-CB 3.31Å; G1172-T1190 WeakPolarHBondContact O-CB 3.17Å; G1172-T1190 WeakPolarHBondContact O-CG2 3.3Å; G1172-T1190 PolarHBondContact O-N 2.82Å; G1172-T1190 PolarHBondContact O-OG1 3.1Å; I1174-T1190 HydrophobicContact CD1-CG2 4Å; I1174-T1190 HydrophobicContact CG1-CG2 4.24Å; T1190-S1193 WeakPolarHBondContact O-CB 3.37Å; T1190-S1193 PolarHBondContact O-N 3.25Å; T1190-I1194 WeakPolarHBondContact O-CG1 3.47Å; T1190-I1194 PolarHBondContact O-N 3.11Å; T1190-P1230 PolarHBondContact OG1-O 3.3Å; T1190-L1261 HydrophobicContact CG2-CD1 3.87Å; T1190-L1261 HydrophobicContact CG2-CD2 3.49Å; T1190-L1261 VanDerWaalsContact CG2-CD2 3.49Å; T1190-L1261 HydrophobicContact CG2-CG 4.34Å |
| 1191 | K | 83.9 | Confident | 77.1 | Confident | 55 Ų | 55 | 34 Ų | 34 | 24% | 0.239 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -50.3 | 173.7 | -174.7 | -178.6 | 174.8 | -169.2 | 0 | 110.8 | S1189 S1193 I1194 D1195 E1225 G1227 | S1189-K1191 VanDerWaalsContact C-N 3.25Å; S1189-K1191 PolarHBondContact O-N 3.35Å; K1191-S1193 VanDerWaalsContact C-N 3.28Å; K1191-S1193 PolarHBondContact O-N 3.27Å; K1191-I1194 PolarHBondContact O-N 2.99Å; K1191-D1195 WeakPolarHBondContact O-CB 3.26Å; K1191-D1195 PolarHBondContact O-N 3.5Å; K1191-E1225 PolarHBondContact NZ-O 2.93Å; K1191-E1225 VanDerWaalsContact NZ-O 3.15Å; K1191-G1227 WeakPolarHBondContact CD-O 3.45Å |
| 1192 | L | 83.6 | Confident | 76.6 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 177.9 | -63.4 | -175 | 0 | 0 | 0 | 111.8 | S1189 I1194 D1195 F1196 V1224 V1226 L1288 | S1189-L1192 PolarHBondContact O-N 3.16Å; L1192-I1194 PolarHBondContact O-N 3.4Å; L1192-D1195 PolarHBondContact O-N 2.97Å; L1192-F1196 VanDerWaalsContact O-CB 3.29Å; L1192-F1196 WeakPolarHBondContact O-CB 3.06Å; L1192-F1196 PolarHBondContact O-N 3.39Å; L1192-V1224 HydrophobicContact CD2-CG1 3.26Å; L1192-V1226 HydrophobicContact CD1-CG2 4.28Å; L1192-L1288 HydrophobicContact CD1-CD2 4.31Å; L1192-L1288 HydrophobicContact CD1-CG 4.15Å |
| 1193 | S | 85.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 176.2 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | S1189 T1190 K1191 V1197 W1268 S1292 | S1189-S1193 PolarHBondContact O-N 3.25Å; S1189-S1193 VanDerWaalsContact O-N 3.08Å; S1189-S1193 PolarHBondContact O-OG 3.27Å; S1189-S1193 VanDerWaalsContact O-OG 3.05Å; T1190-S1193 WeakPolarHBondContact O-CB 3.37Å; T1190-S1193 PolarHBondContact O-N 3.25Å; K1191-S1193 VanDerWaalsContact C-N 3.28Å; K1191-S1193 PolarHBondContact O-N 3.27Å; S1193-V1197 VanDerWaalsContact O-CG2 3.31Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.18Å; S1193-V1197 PolarHBondContact O-N 3.08Å; S1193-V1197 VanDerWaalsContact O-N 3.12Å; S1193-W1268 WeakPolarHBondContact OG-CZ2 3.5Å; S1193-S1292 WeakPolarHBondContact CB-O 3.28Å; S1193-S1292 PolarHBondContact OG-O 2.84Å |
| 1194 | I | 80.7 | Confident | 74.2 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.8 | -42.9 | 178.2 | -69 | 170.4 | 0 | 0 | 0 | 111.4 | T1190 K1191 L1192 F1196 V1197 T1198 P1230 L1261 | T1190-I1194 WeakPolarHBondContact O-CG1 3.47Å; T1190-I1194 PolarHBondContact O-N 3.11Å; K1191-I1194 PolarHBondContact O-N 2.99Å; L1192-I1194 PolarHBondContact O-N 3.4Å; I1194-F1196 PolarHBondContact O-N 2.86Å; I1194-V1197 PolarHBondContact O-N 3.46Å; I1194-T1198 HydrophobicContact CG2-CG2 4.09Å; I1194-T1198 WeakPolarHBondContact O-CB 2.96Å; I1194-T1198 VanDerWaalsContact O-CG2 3.28Å; I1194-T1198 WeakPolarHBondContact O-CG2 3.25Å; I1194-T1198 PolarHBondContact O-N 3.34Å; I1194-T1198 PolarHBondContact O-OG1 3.11Å; I1194-P1230 HydrophobicContact CD1-CG 3.17Å; I1194-L1261 HydrophobicContact CD1-CB 4.23Å; I1194-L1261 HydrophobicContact CD1-CD1 4.11Å; I1194-L1261 HydrophobicContact CG1-CD1 4.07Å |
| 1195 | D | 79.8 | Confident | 72.1 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 176.9 | -74.3 | -13.7 | 0 | 0 | 0 | 111.1 | K1191 L1192 T1198 K1199 | K1191-D1195 WeakPolarHBondContact O-CB 3.26Å; K1191-D1195 PolarHBondContact O-N 3.5Å; L1192-D1195 PolarHBondContact O-N 2.97Å; D1195-T1198 WeakPolarHBondContact CA-OG1 3.39Å; D1195-T1198 PolarHBondContact O-OG1 3.29Å; D1195-K1199 WeakPolarHBondContact O-CB 3.23Å; D1195-K1199 WeakPolarHBondContact O-CG 3.43Å; D1195-K1199 PolarHBondContact O-N 2.84Å |
| 1196 | F | 76.8 | Confident | 70.1 | Confident | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -51.9 | 173.2 | 178.4 | -96.3 | 0 | 0 | 0 | 112 | L1192 I1194 T1198 K1199 F1200 F1219 F1293 P1294 | L1192-F1196 VanDerWaalsContact O-CB 3.29Å; L1192-F1196 WeakPolarHBondContact O-CB 3.06Å; L1192-F1196 PolarHBondContact O-N 3.39Å; I1194-F1196 PolarHBondContact O-N 2.86Å; F1196-T1198 VanDerWaalsContact C-N 3.34Å; F1196-T1198 PolarHBondContact O-N 3.48Å; F1196-K1199 PolarHBondContact O-N 3.32Å; F1196-F1200 HydrophobicContact CZ-CD2 4.41Å; F1196-F1200 WeakPolarHBondContact O-CB 3.23Å; F1196-F1200 PolarHBondContact O-N 2.85Å; F1196-F1219 HydrophobicContact CB-CE2 4.08Å; F1196-F1219 HydrophobicContact CB-CZ 4.28Å; F1196-F1219 AromaticContact CD2-CD2 3.98Å; F1196-F1219 HydrophobicContact CD2-CD2 3.98Å; F1196-F1219 AromaticContact CD2-CE2 3.59Å; F1196-F1219 HydrophobicContact CD2-CE2 3.59Å; F1196-F1219 HydrophobicContact CG-CE2 4.29Å; F1196-F1293 HydrophobicContact CB-CD1 3.73Å; F1196-F1293 HydrophobicContact CB-CE1 3.94Å; F1196-F1293 HydrophobicContact CD1-CD1 4.18Å; F1196-F1293 AromaticContact CD2-CD1 3.29Å; F1196-F1293 HydrophobicContact CD2-CD1 3.29Å; F1196-F1293 AromaticContact CD2-CE1 3.36Å; F1196-F1293 HydrophobicContact CD2-CE1 3.36Å; F1196-F1293 HydrophobicContact CD2-CG 4.01Å; F1196-F1293 HydrophobicContact CD2-CZ 4.1Å; F1196-F1293 AromaticContact CE2-CD1 3.92Å; F1196-F1293 HydrophobicContact CE2-CD1 3.92Å; F1196-F1293 HydrophobicContact CE2-CE1 4.12Å; F1196-F1293 HydrophobicContact CE2-CG 4.19Å; F1196-F1293 AromaticContact CG-CD1 3.46Å; F1196-F1293 HydrophobicContact CG-CD1 3.46Å; F1196-F1293 VanDerWaalsContact CG-CD1 3.46Å; F1196-F1293 AromaticContact CG-CE1 3.86Å; F1196-F1293 HydrophobicContact CG-CE1 3.86Å; F1196-F1293 HydrophobicContact CG-CG 4.3Å; F1196-P1294 HydrophobicContact CD1-CG 4.41Å |
| 1197 | V | 74.7 | Confident | 67.9 | Low | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | -178.8 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | S1193 I1194 F1200 L1201 L1266 P1294 H1297 | S1193-V1197 VanDerWaalsContact O-CG2 3.31Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.18Å; S1193-V1197 PolarHBondContact O-N 3.08Å; S1193-V1197 VanDerWaalsContact O-N 3.12Å; I1194-V1197 PolarHBondContact O-N 3.46Å; V1197-F1200 PolarHBondContact O-N 3.07Å; V1197-L1201 HydrophobicContact CG1-CD1 3.88Å; V1197-L1201 HydrophobicContact CG1-CG 4.38Å; V1197-L1201 WeakPolarHBondContact O-CB 3.39Å; V1197-L1201 VanDerWaalsContact O-CG 3.29Å; V1197-L1201 WeakPolarHBondContact O-CG 3.38Å; V1197-L1201 PolarHBondContact O-N 3.11Å; V1197-L1266 HydrophobicContact CG2-CD2 3.98Å; V1197-P1294 HydrophobicContact CG2-CG 3.83Å; V1197-H1297 VanDerWaalsContact CG1-CE1 3.48Å; V1197-H1297 WeakPolarHBondContact CG1-CE1 3.06Å; V1197-H1297 WeakPolarHBondContact CG1-ND1 3.13Å |
| 1198 | T | 75.6 | Confident | 65.6 | Low | 68 Ų | 68 | 65.8 Ų | 65.8 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 179.7 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | I1194 D1195 F1196 F1200 S1202 | I1194-T1198 HydrophobicContact CG2-CG2 4.09Å; I1194-T1198 WeakPolarHBondContact O-CB 2.96Å; I1194-T1198 VanDerWaalsContact O-CG2 3.28Å; I1194-T1198 WeakPolarHBondContact O-CG2 3.25Å; I1194-T1198 PolarHBondContact O-N 3.34Å; I1194-T1198 PolarHBondContact O-OG1 3.11Å; D1195-T1198 WeakPolarHBondContact CA-OG1 3.39Å; D1195-T1198 PolarHBondContact O-OG1 3.29Å; F1196-T1198 VanDerWaalsContact C-N 3.34Å; F1196-T1198 PolarHBondContact O-N 3.48Å; T1198-F1200 VanDerWaalsContact C-N 3.34Å; T1198-F1200 PolarHBondContact O-N 3.49Å; T1198-S1202 PolarHBondContact O-N 3Å |
| 1199 | K | 70.9 | Confident | 63.2 | Low | 101 Ų | 101 | 68.4 Ų | 68.4 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.4 | -76.7 | -168 | -167.2 | 170 | 0 | 111.6 | D1195 F1196 S1202 F1219 | D1195-K1199 WeakPolarHBondContact O-CB 3.23Å; D1195-K1199 WeakPolarHBondContact O-CG 3.43Å; D1195-K1199 PolarHBondContact O-N 2.84Å; F1196-K1199 PolarHBondContact O-N 3.32Å; K1199-S1202 PolarHBondContact O-N 3.1Å; K1199-S1202 PolarHBondContact O-OG 3.26Å; K1199-F1219 HydrophobicContact CB-CZ 4.44Å; K1199-F1219 HydrophobicContact CD-CE1 4.01Å; K1199-F1219 HydrophobicContact CD-CE2 4.07Å; K1199-F1219 HydrophobicContact CD-CZ 3.55Å; K1199-F1219 HydrophobicContact CG-CZ 4.27Å; K1199-F1219 VanDerWaalsContact NZ-CE1 3.27Å |
| 1200 | F | 64 | Low | 60.6 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | -178.8 | -162 | -90.3 | 0 | 0 | 0 | 112.3 | F1196 V1197 T1198 S1202 Q1203 F1205 I1207 L1218 | F1196-F1200 HydrophobicContact CZ-CD2 4.41Å; F1196-F1200 WeakPolarHBondContact O-CB 3.23Å; F1196-F1200 PolarHBondContact O-N 2.85Å; V1197-F1200 PolarHBondContact O-N 3.07Å; T1198-F1200 VanDerWaalsContact C-N 3.34Å; T1198-F1200 PolarHBondContact O-N 3.49Å; F1200-S1202 PolarHBondContact O-N 3.02Å; F1200-Q1203 PolarHBondContact O-N 2.63Å; F1200-F1205 HydrophobicContact CE1-CB 4.12Å; F1200-F1205 HydrophobicContact CZ-CB 4.12Å; F1200-I1207 HydrophobicContact CE1-CG1 4.4Å; F1200-L1218 HydrophobicContact CD2-CD1 4.18Å; F1200-L1218 HydrophobicContact CE2-CD1 4.39Å |
| 1201 | L | 61.2 | Low | 58.3 | Low | 85 Ų | 85 | 83.3 Ų | 83.3 | 45% | 0.445 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.6 | -30.3 | 176.8 | -72.9 | 171.7 | 0 | 0 | 0 | 112.8 | V1197 Q1203 R1204 | V1197-L1201 HydrophobicContact CG1-CD1 3.88Å; V1197-L1201 HydrophobicContact CG1-CG 4.38Å; V1197-L1201 WeakPolarHBondContact O-CB 3.39Å; V1197-L1201 VanDerWaalsContact O-CG 3.29Å; V1197-L1201 WeakPolarHBondContact O-CG 3.38Å; V1197-L1201 PolarHBondContact O-N 3.11Å; L1201-Q1203 VanDerWaalsContact C-N 3.28Å; L1201-Q1203 PolarHBondContact O-N 3.38Å; L1201-R1204 PolarHBondContact O-N 2.99Å |
| 1202 | S | 56.6 | Low | 56.4 | Low | 90 Ų | 90 | 86.9 Ų | 86.9 | 63% | 0.629 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.3 | -26.9 | 178.8 | 78.7 | 0 | 0 | 0 | 0 | 113.8 | T1198 K1199 F1200 | T1198-S1202 PolarHBondContact O-N 3Å; K1199-S1202 PolarHBondContact O-N 3.1Å; K1199-S1202 PolarHBondContact O-OG 3.26Å; F1200-S1202 PolarHBondContact O-N 3.02Å |
| 1203 | Q | 52 | Low | 54.4 | Low | 109 Ų | 109 | 96.5 Ų | 96.5 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 4.7 | -178.7 | -66.5 | -170.7 | -7 | 0 | 0 | 114.1 | F1200 L1201 F1205 | F1200-Q1203 PolarHBondContact O-N 2.63Å; L1201-Q1203 VanDerWaalsContact C-N 3.28Å; L1201-Q1203 PolarHBondContact O-N 3.38Å; Q1203-F1205 VanDerWaalsContact C-N 3.29Å; Q1203-F1205 HydrophobicContact CB-CD2 3.84Å; Q1203-F1205 HydrophobicContact CB-CE2 3.98Å; Q1203-F1205 PolarHBondContact O-N 3.04Å |
| 1204 | R | 36.8 | Very low | 52.8 | Low | 235 Ų | 235 | 103.2 Ų | 103.2 | 89% | 0.887 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 27.5 | 175.7 | -70 | -171.1 | 175.2 | 171.6 | -0 | 116 | L1201 | L1201-R1204 PolarHBondContact O-N 2.99Š|
| 1205 | F | 31.9 | Very low | 51.3 | Low | 132 Ų | 132 | 104.9 Ų | 104.9 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | trans | -85.6 | 130.2 | 169.1 | -66.1 | -73.2 | 0 | 0 | 0 | 110.9 | F1200 Q1203 | F1200-F1205 HydrophobicContact CE1-CB 4.12Å; F1200-F1205 HydrophobicContact CZ-CB 4.12Å; Q1203-F1205 VanDerWaalsContact C-N 3.29Å; Q1203-F1205 HydrophobicContact CB-CD2 3.84Å; Q1203-F1205 HydrophobicContact CB-CE2 3.98Å; Q1203-F1205 PolarHBondContact O-N 3.04Å | ||
| 1206 | S | 35.7 | Very low | 49.8 | Very low | 99 Ų | 99 | 107 Ų | 107 | 69% | 0.692 | 51% | 0.514 | S | S | * | . | trans | -68.8 | 139.6 | 163.8 | 41.4 | 0 | 0 | 0 | 0 | 109.1 | D1208 | S1206-D1208 PolarHBondContact O-N 2.76Š| ||
| 1207 | I | 33.6 | Very low | 48.8 | Very low | 87 Ų | 87 | 114.4 Ų | 114.4 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | trans | -66.3 | 93.7 | -176.3 | -58.2 | 167.9 | 0 | 0 | 0 | 109.1 | F1200 V1209 H1297 | F1200-I1207 HydrophobicContact CE1-CG1 4.4Å; I1207-V1209 HydrophobicContact CG2-CG2 4.45Å; I1207-H1297 HydrophobicContact CD1-CB 4.36Å | ||
| 1208 | D | 36.1 | Very low | 47.8 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 75% | 0.754 | 56% | 0.561 | S | S | * | * | trans | -84 | 117.3 | 160.6 | -86.6 | -29.6 | 0 | 0 | 0 | 107.9 | S1206 | S1206-D1208 PolarHBondContact O-N 2.76Š| ||
| 1209 | V | 36.6 | Very low | 46.9 | Very low | 57 Ų | 57 | 114.2 Ų | 114.2 | 35% | 0.345 | 54% | 0.544 | S | S | . | . | trans | -73.8 | 136.6 | 170.9 | -178.5 | 0 | 0 | 0 | 0 | 106.5 | I1207 | I1207-V1209 HydrophobicContact CG2-CG2 4.45Š| ||
| 1210 | F | 30.8 | Very low | 46.2 | Very low | 171 Ų | 171 | 114.5 Ų | 114.5 | 75% | 0.75 | 55% | 0.551 | S | S | * | * | trans | 100.5 | 74.1 | 176.7 | -54.1 | -72.1 | 0 | 0 | 0 | 116.7 | ||||
| 1211 | E | 38.8 | Very low | 45.9 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | -168.5 | 117.8 | 128.2 | -103.4 | 176.6 | -156 | 0 | 0 | 109.7 | Y1213 | E1211-Y1213 VanDerWaalsContact C-N 3.27Å; E1211-Y1213 PolarHBondContact O-N 2.75Å | |||
| 1212 | E | 42.7 | Very low | 45.8 | Very low | 130 Ų | 130 | 115 Ų | 115 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.6 | -23.1 | -177.7 | -81.2 | -173.2 | 136.9 | 0 | 0 | 113.3 | R1290 | E1212-R1290 IonicContact OE1-NH2 3.99Å |
| 1213 | Y | 42.6 | Very low | 46.1 | Very low | 204 Ų | 204 | 115.5 Ų | 115.5 | 80% | 0.8 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.7 | -30.7 | -170.8 | -107.9 | -89.2 | 0 | 0 | 0 | 114.2 | E1211 | E1211-Y1213 VanDerWaalsContact C-N 3.27Å; E1211-Y1213 PolarHBondContact O-N 2.75Å |
| 1214 | E | 50.1 | Low | 46.7 | Very low | 142 Ų | 142 | 111.2 Ų | 111.2 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.8 | -26.5 | 178 | -70.1 | -164.3 | 157 | 0 | 0 | 112.9 | L1216 Q1217 | E1214-L1216 VanDerWaalsContact C-N 3.33Å; E1214-L1216 PolarHBondContact O-N 3.02Å; E1214-Q1217 PolarHBondContact O-N 3.09Å |
| 1215 | R | 50.2 | Low | 48.1 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 27% | 0.268 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | -174.7 | -67 | -178.8 | 180 | -177.7 | -4.1 | 113.6 | ||
| 1216 | L | 48 | Very low | 49.6 | Very low | 101 Ų | 101 | 102.6 Ų | 102.6 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -23.7 | -178.6 | -78.1 | 159.3 | 0 | 0 | 0 | 113 | E1214 L1218 | E1214-L1216 VanDerWaalsContact C-N 3.33Å; E1214-L1216 PolarHBondContact O-N 3.02Å; L1216-L1218 VanDerWaalsContact C-N 3.3Å; L1216-L1218 PolarHBondContact O-N 2.93Å |
| 1217 | Q | 55.7 | Low | 51.2 | Low | 175 Ų | 175 | 98.4 Ų | 98.4 | 82% | 0.818 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.6 | 178.5 | -67.8 | -170 | 6.5 | 0 | 0 | 113.2 | E1214 F1219 | E1214-Q1217 PolarHBondContact O-N 3.09Å; Q1217-F1219 VanDerWaalsContact C-N 3.34Å |
| 1218 | L | 55 | Low | 52.8 | Low | 55 Ų | 55 | 98.2 Ų | 98.2 | 29% | 0.288 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.8 | -178.4 | -88.2 | 152 | 0 | 0 | 0 | 113.9 | F1200 L1216 | F1200-L1218 HydrophobicContact CD2-CD1 4.18Å; F1200-L1218 HydrophobicContact CE2-CD1 4.39Å; L1216-L1218 VanDerWaalsContact C-N 3.3Å; L1216-L1218 PolarHBondContact O-N 2.93Å |
| 1219 | F | 55.2 | Low | 54.4 | Low | 17 Ų | 17 | 91.9 Ų | 91.9 | 8% | 0.075 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -131.8 | 111 | -179 | -80.3 | -93.9 | 0 | 0 | 0 | 109.9 | F1196 K1199 Q1217 A1221 V1224 F1293 | F1196-F1219 HydrophobicContact CB-CE2 4.08Å; F1196-F1219 HydrophobicContact CB-CZ 4.28Å; F1196-F1219 AromaticContact CD2-CD2 3.98Å; F1196-F1219 HydrophobicContact CD2-CD2 3.98Å; F1196-F1219 AromaticContact CD2-CE2 3.59Å; F1196-F1219 HydrophobicContact CD2-CE2 3.59Å; F1196-F1219 HydrophobicContact CG-CE2 4.29Å; K1199-F1219 HydrophobicContact CB-CZ 4.44Å; K1199-F1219 HydrophobicContact CD-CE1 4.01Å; K1199-F1219 HydrophobicContact CD-CE2 4.07Å; K1199-F1219 HydrophobicContact CD-CZ 3.55Å; K1199-F1219 HydrophobicContact CG-CZ 4.27Å; K1199-F1219 VanDerWaalsContact NZ-CE1 3.27Å; Q1217-F1219 VanDerWaalsContact C-N 3.34Å; F1219-A1221 PolarHBondContact O-N 3.22Å; F1219-A1221 VanDerWaalsContact O-N 3.08Å; F1219-V1224 HydrophobicContact CB-CG2 4.3Å; F1219-V1224 HydrophobicContact CD1-CG1 4.41Å; F1219-V1224 HydrophobicContact CD1-CG2 3.79Å; F1219-F1293 HydrophobicContact CB-CZ 4.27Å; F1219-F1293 HydrophobicContact CD2-CE1 4.12Å; F1219-F1293 HydrophobicContact CD2-CZ 4.09Å; F1219-F1293 HydrophobicContact CE2-CE1 4.41Å; F1219-F1293 HydrophobicContact CG-CZ 4.3Å |
| 1220 | D | 57.8 | Low | 56.2 | Low | 107 Ų | 107 | 91.7 Ų | 91.7 | 57% | 0.572 | 46% | 0.455 | S | S | * | . | trans | -71.6 | 101.6 | 169.2 | -162.7 | -1.1 | 0 | 0 | 0 | 107.7 | N1222 T1223 V1224 | D1220-N1222 PolarHBondContact O-N 2.93Å; D1220-T1223 HydrophobicContact CB-CG2 4.14Å; D1220-T1223 PolarHBondContact O-N 2.55Å; D1220-T1223 PolarHBondContact O-OG1 2.81Å; D1220-V1224 WeakPolarHBondContact O-CG2 3.29Å | ||
| 1221 | A | 56.7 | Low | 58.1 | Low | 15 Ų | 15 | 85.1 Ų | 85.1 | 12% | 0.124 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -23.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | F1219 T1223 E1286 | F1219-A1221 PolarHBondContact O-N 3.22Å; F1219-A1221 VanDerWaalsContact O-N 3.08Å; A1221-T1223 VanDerWaalsContact C-N 3.35Å; A1221-E1286 HydrophobicContact CB-CB 4.5Å; A1221-E1286 HydrophobicContact CB-CG 3.64Å |
| 1222 | N | 59.7 | Low | 59.7 | Low | 135 Ų | 135 | 78.5 Ų | 78.5 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -14.5 | 177.5 | -66.8 | -32.1 | 0 | 0 | 0 | 114.2 | D1220 | D1220-N1222 PolarHBondContact O-N 2.93Š|
| 1223 | T | 62.4 | Low | 61.2 | Low | 99 Ų | 99 | 74.3 Ų | 74.3 | 61% | 0.607 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -103.6 | -6 | -175.5 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | D1220 A1221 E1225 | D1220-T1223 HydrophobicContact CB-CG2 4.14Å; D1220-T1223 PolarHBondContact O-N 2.55Å; D1220-T1223 PolarHBondContact O-OG1 2.81Å; A1221-T1223 VanDerWaalsContact C-N 3.35Å; T1223-E1225 PolarHBondContact O-N 3.2Å |
| 1224 | V | 63.9 | Low | 62.6 | Low | 19 Ų | 19 | 65.3 Ų | 65.3 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | trans | -85.1 | 110.7 | -169.7 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | L1192 F1219 D1220 V1226 | L1192-V1224 HydrophobicContact CD2-CG1 3.26Å; F1219-V1224 HydrophobicContact CB-CG2 4.3Å; F1219-V1224 HydrophobicContact CD1-CG1 4.41Å; F1219-V1224 HydrophobicContact CD1-CG2 3.79Å; D1220-V1224 WeakPolarHBondContact O-CG2 3.29Å; V1224-V1226 PolarHBondContact O-N 3.15Å; V1224-V1226 VanDerWaalsContact O-N 3.07Å | ||
| 1225 | E | 66.1 | Low | 63.9 | Low | 164 Ų | 164 | 59.8 Ų | 59.8 | 77% | 0.766 | 33% | 0.33 | S | S | * | . | trans | -73.8 | 95.8 | 175.1 | -72.2 | -172.8 | 175.5 | 0 | 0 | 111.6 | K1191 T1223 G1227 | K1191-E1225 PolarHBondContact NZ-O 2.93Å; K1191-E1225 VanDerWaalsContact NZ-O 3.15Å; T1223-E1225 PolarHBondContact O-N 3.2Å; E1225-G1227 PolarHBondContact O-N 3.31Å | ||
| 1226 | V | 64.3 | Low | 65.4 | Low | 22 Ų | 22 | 57.7 Ų | 57.7 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | trans | -67 | 115.6 | 171.4 | -164.7 | 0 | 0 | 0 | 0 | 108.9 | W1141 F1173 L1192 V1224 L1288 | W1141-V1226 HydrophobicContact CH2-CB 3.83Å; W1141-V1226 HydrophobicContact CH2-CG1 3.58Å; W1141-V1226 HydrophobicContact CH2-CG2 4.08Å; W1141-V1226 HydrophobicContact CZ2-CG2 4.35Å; W1141-V1226 HydrophobicContact CZ3-CB 3.81Å; W1141-V1226 HydrophobicContact CZ3-CG1 3.65Å; F1173-V1226 HydrophobicContact CE1-CG1 4.17Å; F1173-V1226 HydrophobicContact CZ-CG1 3.68Å; L1192-V1226 HydrophobicContact CD1-CG2 4.28Å; V1224-V1226 PolarHBondContact O-N 3.15Å; V1224-V1226 VanDerWaalsContact O-N 3.07Å; V1226-L1288 HydrophobicContact CG1-CD2 4Å; V1226-L1288 HydrophobicContact CG2-CD2 4.11Å | ||
| 1227 | G | 68.3 | Low | 66.9 | Low | 12 Ų | 12 | 53.7 Ų | 53.7 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | trans | -135.5 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1191 E1225 G1229 | K1191-G1227 WeakPolarHBondContact CD-O 3.45Å; E1225-G1227 PolarHBondContact O-N 3.31Å; G1227-G1229 PolarHBondContact O-N 3.31Å | ||
| 1228 | V | 68.4 | Low | 68 | Low | 82 Ų | 82 | 45.8 Ų | 45.8 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 124.6 | -180 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | L1145 D1171 | L1145-V1228 HydrophobicContact CD2-CG2 4.47Å; D1171-V1228 HydrophobicContact CB-CG1 4.38Å; D1171-V1228 WeakPolarHBondContact O-CA 3.45Å; D1171-V1228 WeakPolarHBondContact O-CG1 3.46Å |
| 1229 | G | 68.3 | Low | 68.5 | Low | 9 Ų | 9 | 43.9 Ų | 43.9 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1171 G1227 A1231 | D1171-G1229 PolarHBondContact O-N 3.46Å; G1227-G1229 PolarHBondContact O-N 3.31Å; G1229-A1231 PolarHBondContact O-N 3.35Å |
| 1230 | P | 75.3 | Confident | 68.8 | Low | 53 Ų | 53 | 45.5 Ų | 45.5 | 34% | 0.344 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 129.7 | 175.6 | 27.8 | -30.7 | 0 | 0 | 0 | 110.6 | T1190 I1194 | T1190-P1230 PolarHBondContact OG1-O 3.3Å; I1194-P1230 HydrophobicContact CD1-CG 3.17Å |
| 1231 | A | 71.2 | Confident | 68.5 | Low | 33 Ų | 33 | 44.8 Ų | 44.8 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 140.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1229 | G1229-A1231 PolarHBondContact O-N 3.35Š|
| 1232 | A | 72.6 | Confident | 67.9 | Low | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 134.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | H1154 L1155 V1235 A1259 S1260 L1261 | H1154-A1232 PolarHBondContact CD2-O 2.92Å; L1155-A1232 WeakPolarHBondContact CD1-O 3.49Å; A1232-V1235 HydrophobicContact CB-CG1 3.68Å; A1232-A1259 HydrophobicContact CB-CB 4.1Å; A1232-S1260 CarbonylContact C-O 3.58Å; A1232-S1260 VanDerWaalsContact CA-O 3.25Å; A1232-S1260 WeakPolarHBondContact CA-O 3.28Å; A1232-L1261 HydrophobicContact CB-CD2 3.94Å |
| 1233 | S | 73.1 | Confident | 67 | Low | 42 Ų | 42 | 48.3 Ų | 48.3 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -79.6 | -30.3 | 178.1 | 53 | 0 | 0 | 0 | 0 | 112.7 | S1260 V1306 | S1233-S1260 PolarHBondContact N-O 3.19Å; S1233-S1260 WeakPolarHBondContact OG-CB 3.42Å; S1233-S1260 PolarHBondContact OG-O 2.98Å; S1233-S1260 PolarHBondContact OG-OG 3.06Å; S1233-V1306 PolarHBondContact OG-O 3.02Å |
| 1234 | C | 72.4 | Confident | 65.5 | Low | 15 Ų | 15 | 50.1 Ų | 50.1 | 10% | 0.101 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 151.2 | 173.5 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | S1260 V1306 M1309 | C1234-S1260 PolarHBondContact O-N 3.04Å; C1234-V1306 PolarHBondContact SG-O 2.89Å; C1234-M1309 HydrophobicContact CB-CE 4.26Å; C1234-M1309 VanDerWaalsContact O-CE 3.26Å; C1234-M1309 WeakPolarHBondContact O-CE 3.42Å; C1234-M1309 VanDerWaalsContact SG-CE 3.5Å |
| 1235 | V | 78.2 | Confident | 64.2 | Low | 26 Ų | 26 | 52.5 Ų | 52.5 | 16% | 0.158 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146.9 | -175.7 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | L1155 A1232 F1257 A1258 A1259 | L1155-V1235 HydrophobicContact CB-CG2 4.07Å; L1155-V1235 HydrophobicContact CD1-CG1 4.44Å; L1155-V1235 HydrophobicContact CD1-CG2 4.29Å; A1232-V1235 HydrophobicContact CB-CG1 3.68Å; V1235-F1257 HydrophobicContact CB-CE2 4.16Å; V1235-F1257 HydrophobicContact CB-CZ 3.7Å; V1235-F1257 HydrophobicContact CG1-CE1 4.41Å; V1235-F1257 HydrophobicContact CG1-CZ 3.86Å; V1235-F1257 HydrophobicContact CG2-CZ 4.48Å; V1235-A1258 WeakPolarHBondContact CA-O 3.25Å; V1235-A1259 HydrophobicContact CG1-CB 3.72Å |
| 1236 | I | 81.7 | Confident | 62.8 | Low | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.138 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 141.3 | 178.9 | -168 | 167.8 | 0 | 0 | 0 | 111.2 | L1238 A1258 M1309 A1311 L1320 | I1236-L1238 HydrophobicContact CG2-CD2 4.45Å; I1236-A1258 HydrophobicContact CG2-CB 4.06Å; I1236-A1258 PolarHBondContact N-O 3.09Å; I1236-A1258 PolarHBondContact O-N 3.29Å; I1236-M1309 HydrophobicContact CG2-CB 4.36Å; I1236-M1309 HydrophobicContact CG2-CE 4.39Å; I1236-A1311 HydrophobicContact CD1-CB 4.08Å; I1236-L1320 HydrophobicContact CG2-CD1 4.28Å |
| 1237 | F | 78.1 | Confident | 61.6 | Low | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 132.4 | 164.6 | -78.6 | -84.8 | 0 | 0 | 0 | 110 | V1158 I1164 A1166 F1176 I1255 F1257 L1270 | V1158-F1237 VanDerWaalsContact C-CD2 3.4Å; V1158-F1237 WeakPolarHBondContact O-CD2 3.46Å; I1164-F1237 HydrophobicContact CG2-CE1 4.31Å; I1164-F1237 HydrophobicContact CG2-CZ 4.04Å; A1166-F1237 HydrophobicContact CB-CE2 3.56Å; A1166-F1237 HydrophobicContact CB-CZ 3.58Å; F1176-F1237 HydrophobicContact CD1-CE1 4.2Å; F1176-F1237 AromaticContact CD1-CZ 3.94Å; F1176-F1237 HydrophobicContact CD1-CZ 3.94Å; F1176-F1237 HydrophobicContact CE1-CE1 4.05Å; F1176-F1237 AromaticContact CE1-CZ 3.94Å; F1176-F1237 HydrophobicContact CE1-CZ 3.94Å; F1237-I1255 HydrophobicContact CD1-CG2 3.94Å; F1237-I1255 HydrophobicContact CE1-CG2 4.13Å; F1237-F1257 HydrophobicContact CD1-CB 4.38Å; F1237-F1257 AromaticContact CD1-CD2 3.91Å; F1237-F1257 HydrophobicContact CD1-CD2 3.91Å; F1237-F1257 HydrophobicContact CD2-CD2 4.11Å; F1237-F1257 HydrophobicContact CD2-CE2 4.36Å; F1237-F1257 HydrophobicContact CE1-CB 4.41Å; F1237-F1257 AromaticContact CE1-CD2 3.87Å; F1237-F1257 HydrophobicContact CE1-CD2 3.87Å; F1237-F1257 HydrophobicContact CE2-CD2 4.07Å; F1237-F1257 HydrophobicContact CE2-CE2 4.19Å; F1237-F1257 HydrophobicContact CG-CD2 4.05Å; F1237-F1257 AromaticContact CZ-CD2 3.96Å; F1237-F1257 HydrophobicContact CZ-CD2 3.96Å; F1237-F1257 HydrophobicContact CZ-CE2 4.38Å; F1237-L1270 HydrophobicContact CE1-CD1 4.05Å |
| 1238 | L | 78.2 | Confident | 60.4 | Low | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 139.6 | 176.2 | -60.2 | 178.8 | 0 | 0 | 0 | 109.4 | I1236 F1256 A1258 I1267 A1311 L1320 V1334 | I1236-L1238 HydrophobicContact CG2-CD2 4.45Å; L1238-F1256 HydrophobicContact CB-CB 3.98Å; L1238-F1256 HydrophobicContact CD1-CB 3.95Å; L1238-F1256 HydrophobicContact CG-CB 4.36Å; L1238-F1256 PolarHBondContact N-O 2.99Å; L1238-A1258 HydrophobicContact CD1-CB 4.39Å; L1238-A1258 HydrophobicContact CD2-CB 4.2Å; L1238-A1258 HydrophobicContact CG-CB 4.23Å; L1238-I1267 HydrophobicContact CD1-CD1 4.22Å; L1238-I1267 HydrophobicContact CD1-CG1 4.32Å; L1238-I1267 HydrophobicContact CD1-CG2 3.89Å; L1238-A1311 HydrophobicContact CD2-CB 3.46Å; L1238-A1311 VanDerWaalsContact CD2-CB 3.46Å; L1238-L1320 HydrophobicContact CD2-CD1 4.04Å; L1238-V1334 HydrophobicContact CD1-CG1 3.9Å; L1238-V1334 HydrophobicContact CD1-CG2 4.13Å |
| 1239 | P | 67.5 | Low | 59.4 | Low | 15 Ų | 15 | 62.4 Ų | 62.4 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 138.6 | 178.4 | 26.4 | -35.4 | 0 | 0 | 0 | 111 | E1160 I1313 | E1160-P1239 WeakPolarHBondContact OE2-CB 3.43Å; P1239-I1313 HydrophobicContact CB-CD1 3.8Å; P1239-I1313 HydrophobicContact CB-CG1 3.71Å; P1239-I1313 HydrophobicContact CG-CD1 4.15Å; P1239-I1313 HydrophobicContact CG-CG1 3.52Å |
| 1240 | S | 60.4 | Low | 57.9 | Low | 51 Ų | 51 | 67.2 Ų | 67.2 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -77 | 141.9 | -174.3 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | I1313 | S1240-I1313 VanDerWaalsContact O-CD1 3.25Å; S1240-I1313 WeakPolarHBondContact O-CD1 3.45Å |
| 1241 | F | 52 | Low | 56.4 | Low | 93 Ų | 93 | 71.8 Ų | 71.8 | 41% | 0.408 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 118.6 | 177.6 | -109.2 | -94.8 | 0 | 0 | 0 | 110.5 | G1316 C1318 | F1241-G1316 WeakPolarHBondContact CE1-O 3.42Å; F1241-G1316 WeakPolarHBondContact CZ-O 3.39Å; F1241-C1318 HydrophobicContact CD2-CB 4.31Å; F1241-C1318 HydrophobicContact CE2-CB 3.77Å |
| 1242 | T | 44.7 | Very low | 55.2 | Low | 69 Ų | 69 | 73.5 Ų | 73.5 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | trans | -104.4 | 105.8 | 172.1 | 58.4 | 0 | 0 | 0 | 0 | 108.3 | C1244 M1250 | T1242-C1244 PolarHBondContact O-N 3.03Å; T1242-C1244 VanDerWaalsContact O-N 3.14Å; T1242-M1250 HydrophobicContact CG2-CE 3.81Å; T1242-M1250 HydrophobicContact CG2-SD 3.22Å; T1242-M1250 WeakPolarHBondContact CG2-SD 3.45Å | ||
| 1243 | N | 40.5 | Very low | 54.5 | Low | 154 Ų | 154 | 74.6 Ų | 74.6 | 82% | 0.824 | 44% | 0.439 | S | S | * | . | trans | -67.5 | 113.2 | 169.3 | -100.6 | -7.9 | 0 | 0 | 0 | 107 | G1245 | N1243-G1245 PolarHBondContact O-N 3.38Š| ||
| 1244 | C | 29.3 | Very low | 54.1 | Low | 137 Ų | 137 | 75 Ų | 75 | 93% | 0.926 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 102.2 | 177.3 | -69.6 | 0 | 0 | 0 | 0 | 109.5 | T1242 | T1242-C1244 PolarHBondContact O-N 3.03Å; T1242-C1244 VanDerWaalsContact O-N 3.14Å |
| 1245 | G | 38.1 | Very low | 54 | Low | 69 Ų | 69 | 76.1 Ų | 76.1 | 71% | 0.711 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -163.2 | -48.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1243 | N1243-G1245 PolarHBondContact O-N 3.38Š|
| 1246 | D | 35.4 | Very low | 54.2 | Low | 113 Ų | 113 | 77.1 Ų | 77.1 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | trans | -146.9 | 126.9 | 176.4 | -95.2 | -44.8 | 0 | 0 | 0 | 111.4 | N1248 D1249 | D1246-N1248 PolarHBondContact O-N 3.31Å; D1246-N1248 VanDerWaalsContact O-N 3.08Å; D1246-D1249 PolarHBondContact O-N 3.2Å; D1246-D1249 VanDerWaalsContact O-N 3.12Å | ||
| 1247 | P | 40.3 | Very low | 54.4 | Low | 107 Ų | 107 | 75.8 Ų | 75.8 | 70% | 0.695 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -62.9 | -15.2 | 178.8 | 23.5 | -31.6 | 0 | 0 | 0 | 113.7 | M1250 | P1247-M1250 WeakPolarHBondContact O-CB 3.45Å; P1247-M1250 VanDerWaalsContact O-CG 3.25Å; P1247-M1250 WeakPolarHBondContact O-CG 3.18Å |
| 1248 | N | 43 | Very low | 54.7 | Low | 145 Ų | 145 | 75 Ų | 75 | 78% | 0.775 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -79.6 | -17.6 | 176.4 | -70.8 | -20.3 | 0 | 0 | 0 | 113.8 | D1246 M1250 | D1246-N1248 PolarHBondContact O-N 3.31Å; D1246-N1248 VanDerWaalsContact O-N 3.08Å; N1248-M1250 VanDerWaalsContact C-N 3.26Å; N1248-M1250 PolarHBondContact O-N 3.2Å |
| 1249 | D | 47.9 | Very low | 55 | Low | 123 Ų | 123 | 74.6 Ų | 74.6 | 66% | 0.658 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -79.3 | -8.9 | 176.1 | -104.3 | -4.9 | 0 | 0 | 0 | 112.9 | D1246 N1251 N1252 | D1246-D1249 PolarHBondContact O-N 3.2Å; D1246-D1249 VanDerWaalsContact O-N 3.12Å; D1249-N1251 PolarHBondContact O-N 3.01Å; D1249-N1252 PolarHBondContact O-N 3.22Å |
| 1250 | M | 35.7 | Very low | 55.8 | Low | 111 Ų | 111 | 73.9 Ų | 73.9 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -57.7 | -31.1 | 178.8 | -66.3 | -73.1 | -90.9 | 0 | 0 | 112.7 | T1242 P1247 N1248 N1252 | T1242-M1250 HydrophobicContact CG2-CE 3.81Å; T1242-M1250 HydrophobicContact CG2-SD 3.22Å; T1242-M1250 WeakPolarHBondContact CG2-SD 3.45Å; P1247-M1250 WeakPolarHBondContact O-CB 3.45Å; P1247-M1250 VanDerWaalsContact O-CG 3.25Å; P1247-M1250 WeakPolarHBondContact O-CG 3.18Å; N1248-M1250 VanDerWaalsContact C-N 3.26Å; N1248-M1250 PolarHBondContact O-N 3.2Å; M1250-N1252 PolarHBondContact O-N 3.34Å |
| 1251 | N | 44.1 | Very low | 56.9 | Low | 149 Ų | 149 | 71.5 Ų | 71.5 | 80% | 0.797 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -73.7 | -10.9 | -176 | -75.2 | -7.4 | 0 | 0 | 0 | 114.1 | D1249 | D1249-N1251 PolarHBondContact O-N 3.01Š|
| 1252 | N | 46.7 | Very low | 58 | Low | 68 Ų | 68 | 70.2 Ų | 70.2 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -119.3 | 13.2 | -173.6 | -93.3 | -31.4 | 0 | 0 | 0 | 115 | D1249 M1250 N1272 | D1249-N1252 PolarHBondContact O-N 3.22Å; M1250-N1252 PolarHBondContact O-N 3.34Å; N1252-N1272 PolarHBondContact O-ND2 2.75Å; N1252-N1272 PolarHBondContact OD1-ND2 3.24Å |
| 1253 | A | 58.1 | Low | 59.5 | Low | 26 Ų | 26 | 69.1 Ų | 69.1 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 129 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1255 | A1253-I1255 PolarHBondContact O-N 2.85Š|
| 1254 | P | 63.7 | Low | 61.4 | Low | 51 Ų | 51 | 63.5 Ų | 63.5 | 33% | 0.331 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 132.2 | 178.4 | 24.3 | -32 | 0 | 0 | 0 | 111.6 | F1256 | P1254-F1256 HydrophobicContact CB-CE2 4.23Å; P1254-F1256 HydrophobicContact CB-CZ 4.41Å; P1254-F1256 HydrophobicContact CG-CE2 3.95Å; P1254-F1256 HydrophobicContact CG-CZ 4.2Å; P1254-F1256 WeakPolarHBondContact O-CD2 3.44Å; P1254-F1256 WeakPolarHBondContact O-CE2 3.36Å |
| 1255 | I | 71.4 | Confident | 64.1 | Low | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.195 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125 | -179.2 | -57.5 | 172.4 | 0 | 0 | 0 | 109 | I1164 F1237 A1253 L1270 | I1164-I1255 HydrophobicContact CD1-CD1 3.28Å; I1164-I1255 HydrophobicContact CG1-CD1 4.39Å; F1237-I1255 HydrophobicContact CD1-CG2 3.94Å; F1237-I1255 HydrophobicContact CE1-CG2 4.13Å; A1253-I1255 PolarHBondContact O-N 2.85Å; I1255-L1270 HydrophobicContact CB-CB 4.42Å; I1255-L1270 HydrophobicContact CB-CD1 4.29Å; I1255-L1270 HydrophobicContact CG2-CD1 3.97Å; I1255-L1270 PolarHBondContact O-N 2.92Å |
| 1256 | F | 81.6 | Confident | 66.4 | Low | 47 Ų | 47 | 53.7 Ų | 53.7 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.8 | 179.8 | -64.2 | -89.7 | 0 | 0 | 0 | 111.3 | L1238 P1254 I1267 W1268 C1269 | L1238-F1256 HydrophobicContact CB-CB 3.98Å; L1238-F1256 HydrophobicContact CD1-CB 3.95Å; L1238-F1256 HydrophobicContact CG-CB 4.36Å; L1238-F1256 PolarHBondContact N-O 2.99Å; P1254-F1256 HydrophobicContact CB-CE2 4.23Å; P1254-F1256 HydrophobicContact CB-CZ 4.41Å; P1254-F1256 HydrophobicContact CG-CE2 3.95Å; P1254-F1256 HydrophobicContact CG-CZ 4.2Å; P1254-F1256 WeakPolarHBondContact O-CD2 3.44Å; P1254-F1256 WeakPolarHBondContact O-CE2 3.36Å; F1256-I1267 HydrophobicContact CB-CG2 4.36Å; F1256-I1267 HydrophobicContact CD1-CG2 4.23Å; F1256-W1268 WeakPolarHBondContact CA-O 3.3Å; F1256-C1269 HydrophobicContact CD1-CB 4.07Å; F1256-C1269 HydrophobicContact CE1-CB 3.96Å |
| 1257 | F | 86.3 | Confident | 68.8 | Low | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.3 | -179.8 | 178.3 | -97.8 | 0 | 0 | 0 | 110.1 | A1166 I1174 F1176 V1235 F1237 A1259 I1267 W1268 | A1166-F1257 HydrophobicContact CB-CD2 4.13Å; A1166-F1257 HydrophobicContact CB-CE2 3.46Å; A1166-F1257 VanDerWaalsContact CB-CE2 3.46Å; A1166-F1257 HydrophobicContact CB-CZ 3.88Å; I1174-F1257 HydrophobicContact CD1-CE1 4.04Å; I1174-F1257 HydrophobicContact CG2-CE1 3.98Å; I1174-F1257 HydrophobicContact CG2-CZ 4.12Å; F1176-F1257 HydrophobicContact CE1-CB 4.02Å; F1176-F1257 HydrophobicContact CE1-CD1 4.03Å; F1176-F1257 AromaticContact CE1-CD2 3.78Å; F1176-F1257 HydrophobicContact CE1-CD2 3.78Å; F1176-F1257 HydrophobicContact CE1-CE1 4.41Å; F1176-F1257 HydrophobicContact CE1-CE2 4.18Å; F1176-F1257 AromaticContact CE1-CG 3.67Å; F1176-F1257 HydrophobicContact CE1-CG 3.67Å; F1176-F1257 HydrophobicContact CE1-CZ 4.46Å; F1176-F1257 HydrophobicContact CZ-CB 4.16Å; F1176-F1257 AromaticContact CZ-CD1 3.59Å; F1176-F1257 HydrophobicContact CZ-CD1 3.59Å; F1176-F1257 HydrophobicContact CZ-CD2 4.21Å; F1176-F1257 AromaticContact CZ-CE1 3.93Å; F1176-F1257 HydrophobicContact CZ-CE1 3.93Å; F1176-F1257 AromaticContact CZ-CG 3.72Å; F1176-F1257 HydrophobicContact CZ-CG 3.72Å; F1176-F1257 HydrophobicContact CZ-CZ 4.36Å; V1235-F1257 HydrophobicContact CB-CE2 4.16Å; V1235-F1257 HydrophobicContact CB-CZ 3.7Å; V1235-F1257 HydrophobicContact CG1-CE1 4.41Å; V1235-F1257 HydrophobicContact CG1-CZ 3.86Å; V1235-F1257 HydrophobicContact CG2-CZ 4.48Å; F1237-F1257 HydrophobicContact CD1-CB 4.38Å; F1237-F1257 AromaticContact CD1-CD2 3.91Å; F1237-F1257 HydrophobicContact CD1-CD2 3.91Å; F1237-F1257 HydrophobicContact CD2-CD2 4.11Å; F1237-F1257 HydrophobicContact CD2-CE2 4.36Å; F1237-F1257 HydrophobicContact CE1-CB 4.41Å; F1237-F1257 AromaticContact CE1-CD2 3.87Å; F1237-F1257 HydrophobicContact CE1-CD2 3.87Å; F1237-F1257 HydrophobicContact CE2-CD2 4.07Å; F1237-F1257 HydrophobicContact CE2-CE2 4.19Å; F1237-F1257 HydrophobicContact CG-CD2 4.05Å; F1237-F1257 AromaticContact CZ-CD2 3.96Å; F1237-F1257 HydrophobicContact CZ-CD2 3.96Å; F1237-F1257 HydrophobicContact CZ-CE2 4.38Å; F1257-A1259 HydrophobicContact CE1-CB 4.07Å; F1257-I1267 CarbonylContact O-C 3.55Å; F1257-I1267 WeakPolarHBondContact O-CA 3.47Å; F1257-W1268 HydrophobicContact CD1-CE3 4.06Å; F1257-W1268 HydrophobicContact CD1-CZ3 4.42Å; F1257-W1268 PolarHBondContact N-O 3.31Å; F1257-W1268 PolarHBondContact O-N 2.95Å |
| 1258 | A | 85 | Confident | 71 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1235 I1236 L1238 L1266 I1267 L1320 | V1235-A1258 WeakPolarHBondContact CA-O 3.25Å; I1236-A1258 HydrophobicContact CG2-CB 4.06Å; I1236-A1258 PolarHBondContact N-O 3.09Å; I1236-A1258 PolarHBondContact O-N 3.29Å; L1238-A1258 HydrophobicContact CD1-CB 4.39Å; L1238-A1258 HydrophobicContact CD2-CB 4.2Å; L1238-A1258 HydrophobicContact CG-CB 4.23Å; A1258-L1266 WeakPolarHBondContact CA-O 3.21Å; A1258-I1267 HydrophobicContact CB-CG1 3.89Å; A1258-L1320 HydrophobicContact CB-CD2 4.39Å |
| 1259 | A | 84.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1174 A1232 V1235 F1257 L1266 W1268 | I1174-A1259 HydrophobicContact CD1-CB 4.27Å; A1232-A1259 HydrophobicContact CB-CB 4.1Å; V1235-A1259 HydrophobicContact CG1-CB 3.72Å; F1257-A1259 HydrophobicContact CE1-CB 4.07Å; A1259-L1266 PolarHBondContact N-O 3.07Å; A1259-L1266 PolarHBondContact O-N 3.17Å; A1259-W1268 HydrophobicContact CB-CH2 4.07Å; A1259-W1268 HydrophobicContact CB-CZ3 3.62Å |
| 1260 | S | 84.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.5 | 168.8 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | A1232 S1233 C1234 Q1264 V1306 | A1232-S1260 CarbonylContact C-O 3.58Å; A1232-S1260 VanDerWaalsContact CA-O 3.25Å; A1232-S1260 WeakPolarHBondContact CA-O 3.28Å; S1233-S1260 PolarHBondContact N-O 3.19Å; S1233-S1260 WeakPolarHBondContact OG-CB 3.42Å; S1233-S1260 PolarHBondContact OG-O 2.98Å; S1233-S1260 PolarHBondContact OG-OG 3.06Å; C1234-S1260 PolarHBondContact O-N 3.04Å; S1260-Q1264 CarbonylContact C-O 3.53Å; S1260-Q1264 WeakPolarHBondContact CA-O 3.43Å; S1260-Q1264 PolarHBondContact OG-O 3.43Å; S1260-V1306 WeakPolarHBondContact OG-CB 2.73Å |
| 1261 | L | 82.9 | Confident | 75.1 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 100.6 | 175.4 | -55.4 | -179.3 | 0 | 0 | 0 | 108.2 | T1190 I1194 A1232 T1263 Q1264 L1266 W1268 | T1190-L1261 HydrophobicContact CG2-CD1 3.87Å; T1190-L1261 HydrophobicContact CG2-CD2 3.49Å; T1190-L1261 VanDerWaalsContact CG2-CD2 3.49Å; T1190-L1261 HydrophobicContact CG2-CG 4.34Å; I1194-L1261 HydrophobicContact CD1-CB 4.23Å; I1194-L1261 HydrophobicContact CD1-CD1 4.11Å; I1194-L1261 HydrophobicContact CG1-CD1 4.07Å; A1232-L1261 HydrophobicContact CB-CD2 3.94Å; L1261-T1263 PolarHBondContact O-N 3.17Å; L1261-Q1264 PolarHBondContact N-O 3.43Å; L1261-Q1264 PolarHBondContact O-N 2.75Å; L1261-Q1264 VanDerWaalsContact O-N 3.08Å; L1261-L1266 HydrophobicContact CD1-CD1 3.64Å; L1261-L1266 HydrophobicContact CD1-CG 4.42Å; L1261-W1268 HydrophobicContact CD1-CH2 4.24Å |
| 1262 | S | 75.7 | Confident | 75.7 | Confident | 65 Ų | 65 | 27.3 Ų | 27.3 | 46% | 0.455 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -110.4 | -174.4 | -178 | 0 | 0 | 0 | 0 | 111.5 | T1305 | S1262-T1305 WeakPolarHBondContact O-CA 3.41Å; S1262-T1305 WeakPolarHBondContact O-CB 3.45Å; S1262-T1305 WeakPolarHBondContact O-CG2 3.26Å |
| 1263 | T | 75.3 | Confident | 76.1 | Confident | 46 Ų | 46 | 26.8 Ų | 26.8 | 28% | 0.282 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 2 | -176.7 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | L1261 C1300 | L1261-T1263 PolarHBondContact O-N 3.17Å; T1263-C1300 WeakPolarHBondContact O-CB 3.42Å |
| 1264 | Q | 80.7 | Confident | 75.8 | Confident | 36 Ų | 36 | 32 Ų | 32 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148 | -175.5 | -61.4 | 178.8 | -0.9 | 0 | 0 | 110.6 | S1260 L1261 | S1260-Q1264 CarbonylContact C-O 3.53Å; S1260-Q1264 WeakPolarHBondContact CA-O 3.43Å; S1260-Q1264 PolarHBondContact OG-O 3.43Å; L1261-Q1264 PolarHBondContact N-O 3.43Å; L1261-Q1264 PolarHBondContact O-N 2.75Å; L1261-Q1264 VanDerWaalsContact O-N 3.08Å |
| 1265 | V | 85.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122 | 169 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | L1298 V1306 M1309 L1320 | V1265-L1298 HydrophobicContact CB-CB 4.17Å; V1265-L1298 HydrophobicContact CG1-CD1 4.29Å; V1265-L1298 PolarHBondContact N-O 2.83Å; V1265-L1298 PolarHBondContact O-N 3.03Å; V1265-V1306 HydrophobicContact CG2-CB 4.47Å; V1265-V1306 HydrophobicContact CG2-CG2 3.94Å; V1265-M1309 HydrophobicContact CG1-SD 4.03Å; V1265-M1309 HydrophobicContact CG2-SD 4.28Å; V1265-L1320 HydrophobicContact CG1-CD2 4.04Å |
| 1266 | L | 86.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.7 | -178.6 | -61.8 | -175.2 | 0 | 0 | 0 | 109.7 | V1197 A1258 A1259 L1261 W1268 P1294 H1297 | V1197-L1266 HydrophobicContact CG2-CD2 3.98Å; A1258-L1266 WeakPolarHBondContact CA-O 3.21Å; A1259-L1266 PolarHBondContact N-O 3.07Å; A1259-L1266 PolarHBondContact O-N 3.17Å; L1261-L1266 HydrophobicContact CD1-CD1 3.64Å; L1261-L1266 HydrophobicContact CD1-CG 4.42Å; L1266-W1268 HydrophobicContact CB-CE3 4.39Å; L1266-W1268 HydrophobicContact CB-CH2 3.45Å; L1266-W1268 VanDerWaalsContact CB-CH2 3.45Å; L1266-W1268 HydrophobicContact CB-CZ2 3.79Å; L1266-W1268 HydrophobicContact CB-CZ3 3.77Å; L1266-W1268 HydrophobicContact CD1-CH2 4.06Å; L1266-W1268 HydrophobicContact CD1-CZ2 3.87Å; L1266-W1268 HydrophobicContact CG-CH2 4.35Å; L1266-W1268 HydrophobicContact CG-CZ2 4.5Å; L1266-W1268 VanDerWaalsContact O-CZ3 3.27Å; L1266-W1268 WeakPolarHBondContact O-CZ3 3.45Å; L1266-P1294 HydrophobicContact CB-CB 4.03Å; L1266-P1294 HydrophobicContact CD1-CB 4.35Å; L1266-P1294 HydrophobicContact CD1-CG 4.21Å; L1266-P1294 HydrophobicContact CD2-CB 4.18Å; L1266-P1294 HydrophobicContact CD2-CG 4.1Å; L1266-P1294 HydrophobicContact CG-CB 4.42Å; L1266-H1297 HydrophobicContact CD2-CB 3.96Å; L1266-H1297 VanDerWaalsContact CD2-CD2 3.46Å; L1266-H1297 WeakPolarHBondContact CD2-CD2 3.19Å |
| 1267 | I | 87.2 | Confident | 72.7 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.3 | 179 | -62.7 | 161.9 | 0 | 0 | 0 | 109 | L1238 F1256 F1257 A1258 R1295 L1296 L1298 L1320 V1334 | L1238-I1267 HydrophobicContact CD1-CD1 4.22Å; L1238-I1267 HydrophobicContact CD1-CG1 4.32Å; L1238-I1267 HydrophobicContact CD1-CG2 3.89Å; F1256-I1267 HydrophobicContact CB-CG2 4.36Å; F1256-I1267 HydrophobicContact CD1-CG2 4.23Å; F1257-I1267 CarbonylContact O-C 3.55Å; F1257-I1267 WeakPolarHBondContact O-CA 3.47Å; A1258-I1267 HydrophobicContact CB-CG1 3.89Å; I1267-R1295 PolarHBondContact O-N 3.05Å; I1267-L1296 HydrophobicContact CB-CB 4.18Å; I1267-L1296 HydrophobicContact CD1-CB 4.43Å; I1267-L1296 HydrophobicContact CD1-CD2 3.93Å; I1267-L1296 PolarHBondContact N-O 3.2Å; I1267-L1296 PolarHBondContact O-N 2.64Å; I1267-L1298 HydrophobicContact CD1-CD1 3.71Å; I1267-L1298 HydrophobicContact CD1-CG 4.32Å; I1267-L1320 HydrophobicContact CD1-CD2 4.31Å; I1267-V1334 HydrophobicContact CD1-CG1 4.26Å |
| 1268 | W | 85.4 | Confident | 71.2 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 152.9 | 175.5 | -62.1 | -97.4 | 0 | 0 | 0 | 110.8 | I1188 S1193 F1256 F1257 A1259 L1261 L1266 S1292 | I1188-W1268 HydrophobicContact CD1-CB 3.86Å; I1188-W1268 HydrophobicContact CD1-CD2 3.97Å; I1188-W1268 HydrophobicContact CD1-CG 3.59Å; I1188-W1268 HydrophobicContact CG2-CD2 4.43Å; I1188-W1268 HydrophobicContact CG2-CZ2 3.99Å; S1193-W1268 WeakPolarHBondContact OG-CZ2 3.5Å; F1256-W1268 WeakPolarHBondContact CA-O 3.3Å; F1257-W1268 HydrophobicContact CD1-CE3 4.06Å; F1257-W1268 HydrophobicContact CD1-CZ3 4.42Å; F1257-W1268 PolarHBondContact N-O 3.31Å; F1257-W1268 PolarHBondContact O-N 2.95Å; A1259-W1268 HydrophobicContact CB-CH2 4.07Å; A1259-W1268 HydrophobicContact CB-CZ3 3.62Å; L1261-W1268 HydrophobicContact CD1-CH2 4.24Å; L1266-W1268 HydrophobicContact CB-CE3 4.39Å; L1266-W1268 HydrophobicContact CB-CH2 3.45Å; L1266-W1268 VanDerWaalsContact CB-CH2 3.45Å; L1266-W1268 HydrophobicContact CB-CZ2 3.79Å; L1266-W1268 HydrophobicContact CB-CZ3 3.77Å; L1266-W1268 HydrophobicContact CD1-CH2 4.06Å; L1266-W1268 HydrophobicContact CD1-CZ2 3.87Å; L1266-W1268 HydrophobicContact CG-CH2 4.35Å; L1266-W1268 HydrophobicContact CG-CZ2 4.5Å; L1266-W1268 VanDerWaalsContact O-CZ3 3.27Å; L1266-W1268 WeakPolarHBondContact O-CZ3 3.45Å; W1268-S1292 PolarHBondContact NE1-O 2.68Å; W1268-S1292 VanDerWaalsContact NE1-O 3.08Å |
| 1269 | C | 79.4 | Confident | 70.1 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 25% | 0.25 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.1 | 172 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | F1256 R1295 | F1256-C1269 HydrophobicContact CD1-CB 4.07Å; F1256-C1269 HydrophobicContact CE1-CB 3.96Å; C1269-R1295 HydrophobicContact CB-CB 4.44Å; C1269-R1295 PolarHBondContact SG-NH1 3.46Å |
| 1270 | L | 73.1 | Confident | 69.2 | Low | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135.4 | 176.5 | -65.8 | 165.3 | 0 | 0 | 0 | 108.7 | F1176 S1186 F1237 I1255 | F1176-L1270 HydrophobicContact CB-CD2 4.45Å; F1176-L1270 HydrophobicContact CD1-CD1 3.64Å; F1176-L1270 HydrophobicContact CD1-CD2 3.89Å; F1176-L1270 HydrophobicContact CD1-CG 4.4Å; F1176-L1270 HydrophobicContact CD2-CD2 3.75Å; F1176-L1270 HydrophobicContact CE1-CD1 3.78Å; F1176-L1270 HydrophobicContact CE1-CD2 4.01Å; F1176-L1270 HydrophobicContact CE1-CG 4.38Å; F1176-L1270 HydrophobicContact CE2-CD2 3.89Å; F1176-L1270 HydrophobicContact CG-CD1 4.26Å; F1176-L1270 HydrophobicContact CG-CD2 3.75Å; F1176-L1270 HydrophobicContact CZ-CD2 4.01Å; S1186-L1270 WeakPolarHBondContact OG-CD2 3.26Å; F1237-L1270 HydrophobicContact CE1-CD1 4.05Å; I1255-L1270 HydrophobicContact CB-CB 4.42Å; I1255-L1270 HydrophobicContact CB-CD1 4.29Å; I1255-L1270 HydrophobicContact CG2-CD1 3.97Å; I1255-L1270 PolarHBondContact O-N 2.92Å |
| 1271 | P | 61.3 | Low | 68.4 | Low | 74 Ų | 74 | 64.1 Ų | 64.1 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 145.5 | 176.5 | 24.8 | -30.9 | 0 | 0 | 0 | 111.4 | T1273 | P1271-T1273 PolarHBondContact O-N 3.46Š|
| 1272 | N | 56.4 | Low | 67.8 | Low | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 136.6 | 178.5 | -81.8 | 14.3 | 0 | 0 | 0 | 111 | N1252 E1274 | N1252-N1272 PolarHBondContact O-ND2 2.75Å; N1252-N1272 PolarHBondContact OD1-ND2 3.24Å; N1272-E1274 PolarHBondContact O-N 3.11Å; N1272-E1274 VanDerWaalsContact O-N 3.09Å |
| 1273 | T | 54.3 | Low | 67.6 | Low | 57 Ų | 57 | 61.3 Ų | 61.3 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 6.2 | -169.7 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | I1185 P1271 Y1275 | I1185-T1273 HydrophobicContact CD1-CG2 4.31Å; P1271-T1273 PolarHBondContact O-N 3.46Å; T1273-Y1275 VanDerWaalsContact C-N 3.26Å; T1273-Y1275 PolarHBondContact O-N 3.2Å |
| 1274 | E | 53.1 | Low | 67.5 | Low | 137 Ų | 137 | 63.7 Ų | 63.7 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.4 | -177.9 | -71 | -169.7 | 166 | 0 | 0 | 113.7 | N1272 | N1272-E1274 PolarHBondContact O-N 3.11Å; N1272-E1274 VanDerWaalsContact O-N 3.09Å |
| 1275 | Y | 50 | Low | 67.1 | Low | 182 Ų | 182 | 64.4 Ų | 64.4 | 71% | 0.714 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -99.8 | 105.7 | 177.6 | -69.1 | -78.6 | 0 | 0 | 0 | 111.9 | T1273 F1277 | T1273-Y1275 VanDerWaalsContact C-N 3.26Å; T1273-Y1275 PolarHBondContact O-N 3.2Å; Y1275-F1277 WeakPolarHBondContact O-CD2 3.5Å; Y1275-F1277 PolarHBondContact O-N 2.89Å; Y1275-F1277 VanDerWaalsContact O-N 3.1Å |
| 1276 | Q | 47.6 | Very low | 66.4 | Low | 175 Ų | 175 | 70.5 Ų | 70.5 | 82% | 0.818 | 35% | 0.348 | S | S | * | . | trans | -65.5 | 104.6 | 168.7 | -78.8 | -177.7 | -14.2 | 0 | 0 | 110.3 | ||||
| 1277 | F | 52.4 | Low | 65.8 | Low | 120 Ų | 120 | 72.2 Ų | 72.2 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | trans | -84.6 | 145.5 | 164.5 | -65.4 | -80.1 | 0 | 0 | 0 | 109.8 | Y1275 | Y1275-F1277 WeakPolarHBondContact O-CD2 3.5Å; Y1275-F1277 PolarHBondContact O-N 2.89Å; Y1275-F1277 VanDerWaalsContact O-N 3.1Å | ||
| 1278 | S | 56 | Low | 65.3 | Low | 60 Ų | 60 | 72 Ų | 72 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | trans | -64 | 131.8 | 160.3 | 53.4 | 0 | 0 | 0 | 0 | 108.6 | S1280 R1281 | S1278-S1280 PolarHBondContact O-N 3.12Å; S1278-R1281 WeakPolarHBondContact O-CB 3.39Å; S1278-R1281 PolarHBondContact O-N 3.24Å; S1278-R1281 WeakPolarHBondContact OG-CG 3.35Å | ||
| 1279 | E | 61.8 | Low | 64.9 | Low | 73 Ų | 73 | 72.2 Ų | 72.2 | 34% | 0.341 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -50.7 | -30.3 | -175.7 | -68.4 | -172.5 | 153.7 | 0 | 0 | 113.6 | P1134 W1184 R1281 I1282 | P1134-E1279 HydrophobicContact CB-CB 4.25Å; W1184-E1279 PolarHBondContact N-OE1 2.86Å; E1279-R1281 VanDerWaalsContact C-N 3.26Å; E1279-R1281 PolarHBondContact O-N 2.77Å; E1279-I1282 HydrophobicContact CB-CD1 4.47Å; E1279-I1282 WeakPolarHBondContact O-CB 3.44Å; E1279-I1282 WeakPolarHBondContact O-CG1 3.44Å; E1279-I1282 PolarHBondContact O-N 3.08Å |
| 1280 | S | 64.7 | Low | 64.6 | Low | 70 Ų | 70 | 77.6 Ų | 77.6 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -62 | -26.7 | 176.1 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | S1278 I1282 | S1278-S1280 PolarHBondContact O-N 3.12Å; S1280-I1282 VanDerWaalsContact C-N 3.31Å |
| 1281 | R | 68.6 | Low | 64.8 | Low | 129 Ų | 129 | 79.1 Ų | 79.1 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -76.9 | -16.4 | 179.7 | -75.2 | -175.6 | 177.6 | 178.6 | 2 | 113.3 | S1278 E1279 L1283 E1284 T1287 | S1278-R1281 WeakPolarHBondContact O-CB 3.39Å; S1278-R1281 PolarHBondContact O-N 3.24Å; S1278-R1281 WeakPolarHBondContact OG-CG 3.35Å; E1279-R1281 VanDerWaalsContact C-N 3.26Å; E1279-R1281 PolarHBondContact O-N 2.77Å; R1281-L1283 PolarHBondContact O-N 2.99Å; R1281-E1284 PolarHBondContact O-N 2.86Å; R1281-T1287 WeakPolarHBondContact O-CB 3.4Å; R1281-T1287 PolarHBondContact O-OG1 2.82Å |
| 1282 | I | 69.8 | Low | 65.9 | Low | 6 Ų | 6 | 75.6 Ų | 75.6 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -66.7 | -27.4 | -177.1 | -60.7 | 171.2 | 0 | 0 | 0 | 111.3 | W1175 W1184 C1187 E1279 S1280 T1287 | W1175-I1282 HydrophobicContact CZ3-CG2 4.46Å; W1184-I1282 HydrophobicContact CB-CD1 4.14Å; W1184-I1282 WeakPolarHBondContact O-CD1 3.46Å; C1187-I1282 HydrophobicContact CB-CG2 3.64Å; E1279-I1282 HydrophobicContact CB-CD1 4.47Å; E1279-I1282 WeakPolarHBondContact O-CB 3.44Å; E1279-I1282 WeakPolarHBondContact O-CG1 3.44Å; E1279-I1282 PolarHBondContact O-N 3.08Å; S1280-I1282 VanDerWaalsContact C-N 3.31Å; I1282-T1287 PolarHBondContact O-OG1 2.74Å |
| 1283 | L | 70.6 | Confident | 67 | Low | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -104.3 | 7.9 | -179 | -71.7 | 169.6 | 0 | 0 | 0 | 114 | L1136 Y1142 W1175 R1281 N1285 | L1136-L1283 HydrophobicContact CD1-CD1 3.21Å; L1136-L1283 HydrophobicContact CD2-CD1 3.8Å; L1136-L1283 HydrophobicContact CG-CD1 4.12Å; Y1142-L1283 HydrophobicContact CD1-CD1 4.19Å; Y1142-L1283 HydrophobicContact CD2-CD2 4.04Å; Y1142-L1283 HydrophobicContact CG-CD1 3.95Å; Y1142-L1283 HydrophobicContact CG-CD2 4.3Å; W1175-L1283 HydrophobicContact CH2-CD1 3.88Å; W1175-L1283 HydrophobicContact CH2-CD2 4.1Å; W1175-L1283 HydrophobicContact CH2-CG 4.02Å; W1175-L1283 HydrophobicContact CZ2-CD1 4.35Å; W1175-L1283 HydrophobicContact CZ2-CD2 4.17Å; R1281-L1283 PolarHBondContact O-N 2.99Å; L1283-N1285 PolarHBondContact O-N 3.4Å |
| 1284 | E | 73.5 | Confident | 68.3 | Low | 96 Ų | 96 | 71.1 Ų | 71.1 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -60.7 | 133.9 | 168 | -73.6 | 174.5 | 175 | 0 | 0 | 108.7 | R1281 E1286 T1287 L1288 | R1281-E1284 PolarHBondContact O-N 2.86Å; E1284-E1286 PolarHBondContact O-N 2.78Å; E1284-E1286 VanDerWaalsContact O-N 3.07Å; E1284-T1287 HydrophobicContact CB-CG2 4.31Å; E1284-T1287 PolarHBondContact N-OG1 2.94Å; E1284-T1287 PolarHBondContact O-N 3.45Å; E1284-T1287 PolarHBondContact O-OG1 3.05Å; E1284-L1288 WeakPolarHBondContact O-CB 3.33Å; E1284-L1288 PolarHBondContact O-N 3.48Å |
| 1285 | N | 71.7 | Confident | 69.4 | Low | 51 Ų | 51 | 69.3 Ų | 69.3 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.8 | -36.7 | -171.7 | -77 | 3 | 0 | 0 | 0 | 112.7 | L1283 C1289 | L1283-N1285 PolarHBondContact O-N 3.4Å; N1285-C1289 WeakPolarHBondContact O-CB 3.34Å; N1285-C1289 PolarHBondContact O-N 2.7Å; N1285-C1289 PolarHBondContact O-SG 3.42Å |
| 1286 | E | 71.6 | Confident | 70.7 | Confident | 128 Ų | 128 | 61.6 Ų | 61.6 | 60% | 0.598 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.8 | -45.3 | 175.8 | -71.4 | -174.7 | 176.1 | 0 | 0 | 112.7 | A1221 E1284 R1290 | A1221-E1286 HydrophobicContact CB-CB 4.5Å; A1221-E1286 HydrophobicContact CB-CG 3.64Å; E1284-E1286 PolarHBondContact O-N 2.78Å; E1284-E1286 VanDerWaalsContact O-N 3.07Å; E1286-R1290 VanDerWaalsContact O-CB 3.25Å; E1286-R1290 WeakPolarHBondContact O-CB 3.42Å; E1286-R1290 PolarHBondContact O-N 3.43Å |
| 1287 | T | 73.5 | Confident | 72.3 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 22% | 0.221 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.8 | -40.6 | -179.5 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | R1281 I1282 E1284 R1290 N1291 | R1281-T1287 WeakPolarHBondContact O-CB 3.4Å; R1281-T1287 PolarHBondContact O-OG1 2.82Å; I1282-T1287 PolarHBondContact O-OG1 2.74Å; E1284-T1287 HydrophobicContact CB-CG2 4.31Å; E1284-T1287 PolarHBondContact N-OG1 2.94Å; E1284-T1287 PolarHBondContact O-N 3.45Å; E1284-T1287 PolarHBondContact O-OG1 3.05Å; T1287-R1290 PolarHBondContact O-N 3.33Å; T1287-N1291 WeakPolarHBondContact O-CB 3.41Å; T1287-N1291 VanDerWaalsContact O-CG 3.26Å; T1287-N1291 PolarHBondContact O-N 2.86Å; T1287-N1291 PolarHBondContact O-ND2 2.99Å |
| 1288 | L | 77.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.4 | -177.6 | 67.3 | 0 | 0 | 0 | 111.4 | W1141 F1173 C1187 L1192 V1226 E1284 N1291 S1292 | W1141-L1288 HydrophobicContact CH2-CD2 3.57Å; W1141-L1288 HydrophobicContact CZ2-CD2 3.8Å; F1173-L1288 HydrophobicContact CE1-CD1 4.46Å; F1173-L1288 HydrophobicContact CE1-CD2 4.34Å; C1187-L1288 HydrophobicContact CB-CD1 4.32Å; L1192-L1288 HydrophobicContact CD1-CD2 4.31Å; L1192-L1288 HydrophobicContact CD1-CG 4.15Å; V1226-L1288 HydrophobicContact CG1-CD2 4Å; V1226-L1288 HydrophobicContact CG2-CD2 4.11Å; E1284-L1288 WeakPolarHBondContact O-CB 3.33Å; E1284-L1288 PolarHBondContact O-N 3.48Å; L1288-N1291 PolarHBondContact O-N 3.08Å; L1288-S1292 WeakPolarHBondContact O-CB 3.46Å; L1288-S1292 PolarHBondContact O-N 3.49Å; L1288-S1292 PolarHBondContact O-OG 2.72Å |
| 1289 | C | 75.9 | Confident | 74.1 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 175 | -73.3 | 0 | 0 | 0 | 0 | 110.6 | N1285 N1291 S1292 F1293 | N1285-C1289 WeakPolarHBondContact O-CB 3.34Å; N1285-C1289 PolarHBondContact O-N 2.7Å; N1285-C1289 PolarHBondContact O-SG 3.42Å; C1289-N1291 PolarHBondContact O-N 3.04Å; C1289-S1292 PolarHBondContact O-N 2.79Å; C1289-F1293 HydrophobicContact CB-CZ 4.2Å; C1289-F1293 VanDerWaalsContact O-CD2 3.29Å; C1289-F1293 WeakPolarHBondContact O-CD2 3.29Å; C1289-F1293 WeakPolarHBondContact O-CE2 3.48Å; C1289-F1293 WeakPolarHBondContact O-CG 3.21Å; C1289-F1293 PolarHBondContact O-N 2.89Å |
| 1290 | R | 72.7 | Confident | 74.2 | Confident | 151 Ų | 151 | 47.7 Ų | 47.7 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59.6 | -45.7 | 179.1 | -174 | 179.7 | 179.4 | -176.8 | 0.7 | 112.4 | E1212 E1286 T1287 S1292 | E1212-R1290 IonicContact OE1-NH2 3.99Å; E1286-R1290 VanDerWaalsContact O-CB 3.25Å; E1286-R1290 WeakPolarHBondContact O-CB 3.42Å; E1286-R1290 PolarHBondContact O-N 3.43Å; T1287-R1290 PolarHBondContact O-N 3.33Å; R1290-S1292 VanDerWaalsContact C-N 3.34Å |
| 1291 | N | 78.2 | Confident | 73.8 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -29.7 | 179.3 | -72.2 | -18.8 | 0 | 0 | 0 | 112.6 | T1287 L1288 C1289 F1293 | T1287-N1291 WeakPolarHBondContact O-CB 3.41Å; T1287-N1291 VanDerWaalsContact O-CG 3.26Å; T1287-N1291 PolarHBondContact O-N 2.86Å; T1287-N1291 PolarHBondContact O-ND2 2.99Å; L1288-N1291 PolarHBondContact O-N 3.08Å; C1289-N1291 PolarHBondContact O-N 3.04Å; N1291-F1293 VanDerWaalsContact C-N 3.29Å; N1291-F1293 PolarHBondContact O-N 3Å |
| 1292 | S | 84.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.2 | -13.1 | -177.3 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | S1189 S1193 W1268 L1288 C1289 R1290 P1294 | S1189-S1292 PolarHBondContact N-OG 2.73Å; S1193-S1292 WeakPolarHBondContact CB-O 3.28Å; S1193-S1292 PolarHBondContact OG-O 2.84Å; W1268-S1292 PolarHBondContact NE1-O 2.68Å; W1268-S1292 VanDerWaalsContact NE1-O 3.08Å; L1288-S1292 WeakPolarHBondContact O-CB 3.46Å; L1288-S1292 PolarHBondContact O-N 3.49Å; L1288-S1292 PolarHBondContact O-OG 2.72Å; C1289-S1292 PolarHBondContact O-N 2.79Å; R1290-S1292 VanDerWaalsContact C-N 3.34Å; S1292-P1294 VanDerWaalsContact O-CD 3.31Å; S1292-P1294 WeakPolarHBondContact O-CD 3.47Å |
| 1293 | F | 79.7 | Confident | 72.3 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -74 | 115.3 | 178.5 | -61.9 | -35.7 | 0 | 0 | 0 | 111.5 | F1196 F1219 C1289 N1291 | F1196-F1293 HydrophobicContact CB-CD1 3.73Å; F1196-F1293 HydrophobicContact CB-CE1 3.94Å; F1196-F1293 HydrophobicContact CD1-CD1 4.18Å; F1196-F1293 AromaticContact CD2-CD1 3.29Å; F1196-F1293 HydrophobicContact CD2-CD1 3.29Å; F1196-F1293 AromaticContact CD2-CE1 3.36Å; F1196-F1293 HydrophobicContact CD2-CE1 3.36Å; F1196-F1293 HydrophobicContact CD2-CG 4.01Å; F1196-F1293 HydrophobicContact CD2-CZ 4.1Å; F1196-F1293 AromaticContact CE2-CD1 3.92Å; F1196-F1293 HydrophobicContact CE2-CD1 3.92Å; F1196-F1293 HydrophobicContact CE2-CE1 4.12Å; F1196-F1293 HydrophobicContact CE2-CG 4.19Å; F1196-F1293 AromaticContact CG-CD1 3.46Å; F1196-F1293 HydrophobicContact CG-CD1 3.46Å; F1196-F1293 VanDerWaalsContact CG-CD1 3.46Å; F1196-F1293 AromaticContact CG-CE1 3.86Å; F1196-F1293 HydrophobicContact CG-CE1 3.86Å; F1196-F1293 HydrophobicContact CG-CG 4.3Å; F1219-F1293 HydrophobicContact CB-CZ 4.27Å; F1219-F1293 HydrophobicContact CD2-CE1 4.12Å; F1219-F1293 HydrophobicContact CD2-CZ 4.09Å; F1219-F1293 HydrophobicContact CE2-CE1 4.41Å; F1219-F1293 HydrophobicContact CG-CZ 4.3Å; C1289-F1293 HydrophobicContact CB-CZ 4.2Å; C1289-F1293 VanDerWaalsContact O-CD2 3.29Å; C1289-F1293 WeakPolarHBondContact O-CD2 3.29Å; C1289-F1293 WeakPolarHBondContact O-CE2 3.48Å; C1289-F1293 WeakPolarHBondContact O-CG 3.21Å; C1289-F1293 PolarHBondContact O-N 2.89Å; N1291-F1293 VanDerWaalsContact C-N 3.29Å; N1291-F1293 PolarHBondContact O-N 3Å |
| 1294 | P | 81.6 | Confident | 72.3 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | trans | -66.6 | 143.6 | 178.8 | 30 | -35.6 | 0 | 0 | 0 | 110.4 | F1196 V1197 L1266 S1292 | F1196-P1294 HydrophobicContact CD1-CG 4.41Å; V1197-P1294 HydrophobicContact CG2-CG 3.83Å; L1266-P1294 HydrophobicContact CB-CB 4.03Å; L1266-P1294 HydrophobicContact CD1-CB 4.35Å; L1266-P1294 HydrophobicContact CD1-CG 4.21Å; L1266-P1294 HydrophobicContact CD2-CB 4.18Å; L1266-P1294 HydrophobicContact CD2-CG 4.1Å; L1266-P1294 HydrophobicContact CG-CB 4.42Å; S1292-P1294 VanDerWaalsContact O-CD 3.31Å; S1292-P1294 WeakPolarHBondContact O-CD 3.47Å | ||
| 1295 | R | 74.9 | Confident | 72.3 | Confident | 100 Ų | 100 | 45.5 Ų | 45.5 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -78.8 | -31.3 | 177.1 | -171.4 | 162.3 | 179 | 154.4 | 4.3 | 112.1 | I1267 C1269 | I1267-R1295 PolarHBondContact O-N 3.05Å; C1269-R1295 HydrophobicContact CB-CB 4.44Å; C1269-R1295 PolarHBondContact SG-NH1 3.46Å |
| 1296 | L | 78.8 | Confident | 72.7 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140.4 | 178.6 | -160.6 | 74.5 | 0 | 0 | 0 | 110.3 | I1267 L1298 V1334 | I1267-L1296 HydrophobicContact CB-CB 4.18Å; I1267-L1296 HydrophobicContact CD1-CB 4.43Å; I1267-L1296 HydrophobicContact CD1-CD2 3.93Å; I1267-L1296 PolarHBondContact N-O 3.2Å; I1267-L1296 PolarHBondContact O-N 2.64Å; L1296-L1298 HydrophobicContact CD2-CD2 3.8Å; L1296-L1298 HydrophobicContact CD2-CG 4.36Å; L1296-L1298 HydrophobicContact CG-CD2 4.19Å; L1296-V1334 WeakPolarHBondContact CD2-O 3.49Å |
| 1297 | H | 79.6 | Confident | 72.8 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 11% | 0.111 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.7 | 175.4 | 171.4 | -138.4 | 0 | 0 | 0 | 109.6 | V1197 I1207 L1266 L1299 | V1197-H1297 VanDerWaalsContact CG1-CE1 3.48Å; V1197-H1297 WeakPolarHBondContact CG1-CE1 3.06Å; V1197-H1297 WeakPolarHBondContact CG1-ND1 3.13Å; I1207-H1297 HydrophobicContact CD1-CB 4.36Å; L1266-H1297 HydrophobicContact CD2-CB 3.96Å; L1266-H1297 VanDerWaalsContact CD2-CD2 3.46Å; L1266-H1297 WeakPolarHBondContact CD2-CD2 3.19Å; H1297-L1299 VanDerWaalsContact CE1-CD1 3.45Å; H1297-L1299 WeakPolarHBondContact CE1-CD1 3.47Å |
| 1298 | L | 79.3 | Confident | 72.6 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.3 | 179.3 | -55.9 | 176.9 | 0 | 0 | 0 | 109.4 | V1265 I1267 L1296 L1320 W1332 G1337 | V1265-L1298 HydrophobicContact CB-CB 4.17Å; V1265-L1298 HydrophobicContact CG1-CD1 4.29Å; V1265-L1298 PolarHBondContact N-O 2.83Å; V1265-L1298 PolarHBondContact O-N 3.03Å; I1267-L1298 HydrophobicContact CD1-CD1 3.71Å; I1267-L1298 HydrophobicContact CD1-CG 4.32Å; L1296-L1298 HydrophobicContact CD2-CD2 3.8Å; L1296-L1298 HydrophobicContact CD2-CG 4.36Å; L1296-L1298 HydrophobicContact CG-CD2 4.19Å; L1298-L1320 HydrophobicContact CD1-CD2 3.95Å; L1298-W1332 HydrophobicContact CD1-CB 3.96Å; L1298-W1332 HydrophobicContact CD1-CD2 4.14Å; L1298-W1332 HydrophobicContact CD1-CG 3.88Å; L1298-W1332 HydrophobicContact CD2-CB 4.41Å; L1298-W1332 HydrophobicContact CD2-CG 4.27Å; L1298-W1332 HydrophobicContact CG-CG 4.47Å; L1298-G1337 VanDerWaalsContact CD2-CA 3.43Å; L1298-G1337 WeakPolarHBondContact CD2-O 3.45Å |
| 1299 | L | 67.1 | Low | 73 | Confident | 104 Ų | 104 | 39.8 Ų | 39.8 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.8 | -176.2 | -130.7 | 139.6 | 0 | 0 | 0 | 110.8 | H1297 | H1297-L1299 VanDerWaalsContact CE1-CD1 3.45Å; H1297-L1299 WeakPolarHBondContact CE1-CD1 3.47Å |
| 1300 | C | 63.9 | Low | 73.2 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.054 | 22% | 0.219 | C | C | . | . | trans | -75.2 | 127 | 167.4 | -67 | 0 | 0 | 0 | 0 | 109 | T1263 C1302 L1330 | T1263-C1300 WeakPolarHBondContact O-CB 3.42Å; C1300-C1302 PolarHBondContact O-N 3.49Å; C1300-L1330 HydrophobicContact CB-CD1 4.05Å; C1300-L1330 VanDerWaalsContact SG-CD1 3.57Å | ||
| 1301 | S | 56.5 | Low | 73.4 | Confident | 70 Ų | 70 | 33.7 Ų | 33.7 | 49% | 0.49 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -61.9 | -20.5 | 174.3 | 44.8 | 0 | 0 | 0 | 0 | 113 | K1339 E1342 | S1301-K1339 PolarHBondContact OG-NZ 3.4Å; S1301-E1342 PolarHBondContact OG-OE1 3.33Å; S1301-E1342 PolarHBondContact OG-OE2 2.94Å |
| 1302 | C | 49.8 | Very low | 73 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 12% | 0.122 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -104.1 | 135.1 | -178 | -53.6 | 0 | 0 | 0 | 0 | 108.6 | C1300 S1304 R1328 E1342 | C1300-C1302 PolarHBondContact O-N 3.49Å; C1302-S1304 WeakPolarHBondContact CB-OG 3.49Å; C1302-S1304 PolarHBondContact O-N 3.12Å; C1302-R1328 VanDerWaalsContact SG-CD 3.55Å; C1302-R1328 PolarHBondContact SG-NH1 2.91Å; C1302-E1342 PolarHBondContact SG-OE1 2.84Å |
| 1303 | A | 57.5 | Low | 72 | Confident | 105 Ų | 105 | 38.3 Ų | 38.3 | 87% | 0.868 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -69.6 | 43.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1304 | S | 70.3 | Confident | 70.9 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | trans | -123.4 | 136.4 | -176 | 60 | 0 | 0 | 0 | 0 | 110.6 | C1302 T1324 S1326 | C1302-S1304 WeakPolarHBondContact CB-OG 3.49Å; C1302-S1304 PolarHBondContact O-N 3.12Å; S1304-T1324 WeakPolarHBondContact OG-CB 3.24Å; S1304-S1326 PolarHBondContact OG-OG 2.83Å | ||
| 1305 | T | 74.7 | Confident | 69.4 | Low | 48 Ų | 48 | 41.2 Ų | 41.2 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -68.5 | 148.6 | -178.1 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | S1262 T1324 A1325 | S1262-T1305 WeakPolarHBondContact O-CA 3.41Å; S1262-T1305 WeakPolarHBondContact O-CB 3.45Å; S1262-T1305 WeakPolarHBondContact O-CG2 3.26Å; T1305-T1324 CarbonylContact O-C 3.38Å; T1305-T1324 VanDerWaalsContact O-CA 3.29Å; T1305-T1324 WeakPolarHBondContact O-CA 3.38Å; T1305-A1325 PolarHBondContact O-N 2.99Å | ||
| 1306 | V | 78.3 | Confident | 68.4 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 124.6 | 173 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | S1233 C1234 S1260 V1265 S1308 M1309 G1323 T1324 | S1233-V1306 PolarHBondContact OG-O 3.02Å; C1234-V1306 PolarHBondContact SG-O 2.89Å; S1260-V1306 WeakPolarHBondContact OG-CB 2.73Å; V1265-V1306 HydrophobicContact CG2-CB 4.47Å; V1265-V1306 HydrophobicContact CG2-CG2 3.94Å; V1306-S1308 WeakPolarHBondContact CG1-O 3.26Å; V1306-M1309 HydrophobicContact CG1-CG 3.78Å; V1306-M1309 HydrophobicContact CG1-SD 4.45Å; V1306-G1323 CarbonylContact C-O 3.59Å; V1306-G1323 WeakPolarHBondContact CA-O 3.29Å; V1306-T1324 HydrophobicContact CG2-CG2 4.45Å |
| 1307 | L | 73.8 | Confident | 67.4 | Low | 59 Ų | 59 | 39.6 Ų | 39.6 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -24.9 | -173.6 | -62.2 | 177.4 | 0 | 0 | 0 | 113 | G1323 A1325 W1349 | L1307-G1323 PolarHBondContact N-O 2.83Å; L1307-A1325 HydrophobicContact CD1-CB 3.93Å; L1307-A1325 HydrophobicContact CG-CB 4.31Å; L1307-W1349 HydrophobicContact CD1-CB 3.85Å; L1307-W1349 HydrophobicContact CD1-CD2 4.33Å; L1307-W1349 HydrophobicContact CD1-CE3 4.25Å; L1307-W1349 HydrophobicContact CD1-CG 4.22Å |
| 1308 | S | 70.6 | Confident | 67.1 | Low | 12 Ų | 12 | 38.7 Ų | 38.7 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.6 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | V1306 G1322 G1323 V1350 | V1306-S1308 WeakPolarHBondContact CG1-O 3.26Å; S1308-G1322 WeakPolarHBondContact O-CA 3.4Å; S1308-G1323 PolarHBondContact O-N 2.86Å; S1308-V1350 PolarHBondContact OG-O 3.34Å |
| 1309 | M | 84.4 | Confident | 67.1 | Low | 23 Ų | 23 | 38.8 Ų | 38.8 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.7 | 177.8 | -70.2 | -170.1 | -68.6 | 0 | 0 | 110.6 | C1234 I1236 V1265 V1306 L1320 A1321 | C1234-M1309 HydrophobicContact CB-CE 4.26Å; C1234-M1309 VanDerWaalsContact O-CE 3.26Å; C1234-M1309 WeakPolarHBondContact O-CE 3.42Å; C1234-M1309 VanDerWaalsContact SG-CE 3.5Å; I1236-M1309 HydrophobicContact CG2-CB 4.36Å; I1236-M1309 HydrophobicContact CG2-CE 4.39Å; V1265-M1309 HydrophobicContact CG1-SD 4.03Å; V1265-M1309 HydrophobicContact CG2-SD 4.28Å; V1306-M1309 HydrophobicContact CG1-CG 3.78Å; V1306-M1309 HydrophobicContact CG1-SD 4.45Å; M1309-L1320 HydrophobicContact CB-CD1 4.48Å; M1309-L1320 HydrophobicContact SD-CD1 4.46Å; M1309-A1321 VanDerWaalsContact CA-O 3.28Å; M1309-A1321 WeakPolarHBondContact CA-O 3.11Å |
| 1310 | D | 80.6 | Confident | 67.8 | Low | 14 Ų | 14 | 33.8 Ų | 33.8 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145.7 | 169.1 | -161.8 | 28.5 | 0 | 0 | 0 | 109.1 | A1321 I1353 R1354 L1355 | D1310-A1321 PolarHBondContact N-O 3.26Å; D1310-A1321 PolarHBondContact O-N 3.23Å; D1310-I1353 HydrophobicContact CB-CG2 4.43Å; D1310-R1354 IonicContact OD1-NH1 3.47Å; D1310-R1354 PolarHBondContact OD1-NH1 2.79Å; D1310-R1354 WeakPolarHBondContact OD2-CA 3.37Å; D1310-R1354 WeakPolarHBondContact OD2-CD 3.4Å; D1310-R1354 IonicContact OD2-NH1 3.75Å; D1310-L1355 HydrophobicContact CB-CD1 4.44Å; D1310-L1355 HydrophobicContact CB-CG 4.34Å; D1310-L1355 WeakPolarHBondContact O-CD1 3.32Å; D1310-L1355 PolarHBondContact OD2-N 3.48Å |
| 1311 | A | 77.1 | Confident | 68.6 | Low | 15 Ų | 15 | 33.4 Ų | 33.4 | 12% | 0.124 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1236 L1238 I1319 L1320 | I1236-A1311 HydrophobicContact CD1-CB 4.08Å; L1238-A1311 HydrophobicContact CD2-CB 3.46Å; L1238-A1311 VanDerWaalsContact CD2-CB 3.46Å; A1311-I1319 WeakPolarHBondContact CA-O 3.32Å; A1311-L1320 HydrophobicContact CB-CD1 3.88Å |
| 1312 | R | 70.6 | Confident | 69.6 | Low | 78 Ų | 78 | 30.1 Ų | 30.1 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 149.8 | 179.9 | -150.8 | 175.4 | -164.7 | 137.7 | 6.3 | 111.9 | I1314 I1319 L1355 L1356 P1357 | R1312-I1314 HydrophobicContact CB-CG1 4.32Å; R1312-I1319 PolarHBondContact N-O 2.92Å; R1312-I1319 PolarHBondContact O-N 3.36Å; R1312-L1355 HydrophobicContact CB-CB 4.47Å; R1312-L1355 HydrophobicContact CB-CD1 4.26Å; R1312-L1355 PolarHBondContact NH1-O 3.34Å; R1312-L1356 PolarHBondContact NH1-O 2.87Å; R1312-P1357 VanDerWaalsContact NH1-CA 3.26Å; R1312-P1357 VanDerWaalsContact NH2-CB 3.27Å |
| 1313 | I | 63 | Low | 70.9 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 30% | 0.297 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.1 | 167.2 | -54.7 | 179.8 | 0 | 0 | 0 | 107.8 | P1239 S1240 Q1317 | P1239-I1313 HydrophobicContact CB-CD1 3.8Å; P1239-I1313 HydrophobicContact CB-CG1 3.71Å; P1239-I1313 HydrophobicContact CG-CD1 4.15Å; P1239-I1313 HydrophobicContact CG-CG1 3.52Å; S1240-I1313 VanDerWaalsContact O-CD1 3.25Å; S1240-I1313 WeakPolarHBondContact O-CD1 3.45Å; I1313-Q1317 WeakPolarHBondContact CA-O 3.13Å |
| 1314 | I | 56.6 | Low | 71.8 | Confident | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.8 | 176 | -57.9 | -178.7 | 0 | 0 | 0 | 106.5 | R1312 G1316 Q1317 I1319 I1380 | R1312-I1314 HydrophobicContact CB-CG1 4.32Å; I1314-G1316 VanDerWaalsContact C-N 3.26Å; I1314-G1316 PolarHBondContact O-N 2.92Å; I1314-Q1317 PolarHBondContact N-O 3.47Å; I1314-Q1317 PolarHBondContact O-N 3.05Å; I1314-I1319 HydrophobicContact CB-CD1 3.99Å; I1314-I1319 HydrophobicContact CD1-CD1 4.22Å; I1314-I1319 HydrophobicContact CG1-CD1 4.44Å; I1314-I1380 HydrophobicContact CD1-CB 4.34Å; I1314-I1380 HydrophobicContact CD1-CD1 4.3Å; I1314-I1380 HydrophobicContact CD1-CG1 3.85Å; I1314-I1380 HydrophobicContact CD1-CG2 3.83Å |
| 1315 | E | 50.8 | Low | 71.9 | Confident | 85 Ų | 85 | 24.7 Ų | 24.7 | 40% | 0.397 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 40.9 | -176.8 | -72.5 | -73.7 | -168.9 | 0 | 0 | 114.7 | Q1317 L1378 | E1315-Q1317 PolarHBondContact O-N 2.89Å; E1315-L1378 HydrophobicContact CG-CB 4.37Å; E1315-L1378 HydrophobicContact CG-CD1 4.18Å; E1315-L1378 WeakPolarHBondContact OE1-CD1 3.31Å |
| 1316 | G | 53 | Low | 71.8 | Confident | 45 Ų | 45 | 24.6 Ų | 24.6 | 46% | 0.464 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 23.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1241 I1314 | F1241-G1316 WeakPolarHBondContact CE1-O 3.42Å; F1241-G1316 WeakPolarHBondContact CZ-O 3.39Å; I1314-G1316 VanDerWaalsContact C-N 3.26Å; I1314-G1316 PolarHBondContact O-N 2.92Å |
| 1317 | Q | 58.4 | Low | 71.1 | Confident | 40 Ų | 40 | 24.6 Ų | 24.6 | 19% | 0.187 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129 | 166.3 | -63 | -172.5 | 7.5 | 0 | 0 | 109.2 | I1313 I1314 E1315 I1319 | I1313-Q1317 WeakPolarHBondContact CA-O 3.13Å; I1314-Q1317 PolarHBondContact N-O 3.47Å; I1314-Q1317 PolarHBondContact O-N 3.05Å; E1315-Q1317 PolarHBondContact O-N 2.89Å; Q1317-I1319 PolarHBondContact O-N 3.49Å |
| 1318 | C | 73.1 | Confident | 71.2 | Confident | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 115.5 | 172.9 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | F1241 V1334 | F1241-C1318 HydrophobicContact CD2-CB 4.31Å; F1241-C1318 HydrophobicContact CE2-CB 3.77Å; C1318-V1334 HydrophobicContact CB-CB 4.1Å; C1318-V1334 HydrophobicContact CB-CG2 4.26Å; C1318-V1334 WeakPolarHBondContact O-CB 3.47Å; C1318-V1334 WeakPolarHBondContact O-CG2 3.46Å; C1318-V1334 PolarHBondContact O-N 2.85Å |
| 1319 | I | 78.9 | Confident | 71.3 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.2 | -179.8 | -57.9 | -172.4 | 0 | 0 | 0 | 108.5 | A1311 R1312 I1314 Q1317 I1331 I1380 | A1311-I1319 WeakPolarHBondContact CA-O 3.32Å; R1312-I1319 PolarHBondContact N-O 2.92Å; R1312-I1319 PolarHBondContact O-N 3.36Å; I1314-I1319 HydrophobicContact CB-CD1 3.99Å; I1314-I1319 HydrophobicContact CD1-CD1 4.22Å; I1314-I1319 HydrophobicContact CG1-CD1 4.44Å; Q1317-I1319 PolarHBondContact O-N 3.49Å; I1319-I1331 HydrophobicContact CG2-CG2 3.44Å; I1319-I1331 VanDerWaalsContact CG2-CG2 3.44Å; I1319-I1380 HydrophobicContact CD1-CD1 3.48Å; I1319-I1380 VanDerWaalsContact CD1-CD1 3.48Å; I1319-I1380 HydrophobicContact CD1-CG1 4.42Å; I1319-I1380 HydrophobicContact CG2-CD1 4.44Å |
| 1320 | L | 82.7 | Confident | 71 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.4 | 177.3 | 178.8 | 64.6 | 0 | 0 | 0 | 109.3 | I1236 L1238 A1258 V1265 I1267 L1298 M1309 A1311 I1331 W1332 V1334 | I1236-L1320 HydrophobicContact CG2-CD1 4.28Å; L1238-L1320 HydrophobicContact CD2-CD1 4.04Å; A1258-L1320 HydrophobicContact CB-CD2 4.39Å; V1265-L1320 HydrophobicContact CG1-CD2 4.04Å; I1267-L1320 HydrophobicContact CD1-CD2 4.31Å; L1298-L1320 HydrophobicContact CD1-CD2 3.95Å; M1309-L1320 HydrophobicContact CB-CD1 4.48Å; M1309-L1320 HydrophobicContact SD-CD1 4.46Å; A1311-L1320 HydrophobicContact CB-CD1 3.88Å; L1320-I1331 WeakPolarHBondContact O-CA 3.17Å; L1320-W1332 HydrophobicContact CG-CE3 4.48Å; L1320-W1332 PolarHBondContact N-O 2.9Å; L1320-W1332 PolarHBondContact O-N 3.07Å; L1320-V1334 HydrophobicContact CB-CG2 3.94Å |
| 1321 | A | 79.8 | Confident | 71 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | M1309 D1310 L1330 I1331 L1355 L1382 | M1309-A1321 VanDerWaalsContact CA-O 3.28Å; M1309-A1321 WeakPolarHBondContact CA-O 3.11Å; D1310-A1321 PolarHBondContact N-O 3.26Å; D1310-A1321 PolarHBondContact O-N 3.23Å; A1321-L1330 CarbonylContact C-O 3.54Å; A1321-L1330 VanDerWaalsContact CA-O 3.31Å; A1321-L1330 WeakPolarHBondContact CA-O 3.38Å; A1321-I1331 HydrophobicContact CB-CG1 4.35Å; A1321-L1355 HydrophobicContact CB-CD1 4.03Å; A1321-L1355 HydrophobicContact CB-CD2 4.01Å; A1321-L1355 HydrophobicContact CB-CG 4.15Å; A1321-L1382 HydrophobicContact CB-CD1 4.47Å |
| 1322 | G | 77.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1308 V1329 L1330 | S1308-G1322 WeakPolarHBondContact O-CA 3.4Å; G1322-V1329 WeakPolarHBondContact O-CA 3.37Å; G1322-L1330 PolarHBondContact N-O 2.9Å; G1322-L1330 PolarHBondContact O-N 3.08Å |
| 1323 | G | 76.6 | Confident | 71.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1306 L1307 S1308 I1353 | V1306-G1323 CarbonylContact C-O 3.59Å; V1306-G1323 WeakPolarHBondContact CA-O 3.29Å; L1307-G1323 PolarHBondContact N-O 2.83Å; S1308-G1323 PolarHBondContact O-N 2.86Å; G1323-I1353 VanDerWaalsContact N-CD1 3.27Å |
| 1324 | T | 77.7 | Confident | 72 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 158.7 | -174 | 69.7 | 0 | 0 | 0 | 0 | 113.1 | S1304 T1305 V1306 S1326 G1327 R1328 L1330 V1350 | S1304-T1324 WeakPolarHBondContact OG-CB 3.24Å; T1305-T1324 CarbonylContact O-C 3.38Å; T1305-T1324 VanDerWaalsContact O-CA 3.29Å; T1305-T1324 WeakPolarHBondContact O-CA 3.38Å; V1306-T1324 HydrophobicContact CG2-CG2 4.45Å; T1324-S1326 PolarHBondContact O-N 2.82Å; T1324-S1326 VanDerWaalsContact O-N 3.12Å; T1324-S1326 PolarHBondContact OG1-N 3.07Å; T1324-S1326 PolarHBondContact OG1-OG 2.98Å; T1324-G1327 PolarHBondContact O-N 2.81Å; T1324-G1327 VanDerWaalsContact O-N 3.11Å; T1324-R1328 PolarHBondContact N-O 2.88Å; T1324-R1328 PolarHBondContact OG1-N 2.87Å; T1324-R1328 PolarHBondContact OG1-O 2.89Å; T1324-L1330 HydrophobicContact CG2-CD1 3.68Å; T1324-V1350 PolarHBondContact O-N 3.17Å |
| 1325 | A | 71.5 | Confident | 72.3 | Confident | 25 Ų | 25 | 27.4 Ų | 27.4 | 21% | 0.207 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -6.6 | 166 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1305 L1307 W1349 | T1305-A1325 PolarHBondContact O-N 2.99Å; L1307-A1325 HydrophobicContact CD1-CB 3.93Å; L1307-A1325 HydrophobicContact CG-CB 4.31Å; A1325-W1349 HydrophobicContact CB-CG 4.35Å; A1325-W1349 PolarHBondContact O-NE1 3.49Å |
| 1326 | S | 72.7 | Confident | 72.9 | Confident | 47 Ų | 47 | 27.2 Ų | 27.2 | 33% | 0.329 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 4.5 | 173.4 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | S1304 T1324 R1328 | S1304-S1326 PolarHBondContact OG-OG 2.83Å; T1324-S1326 PolarHBondContact O-N 2.82Å; T1324-S1326 VanDerWaalsContact O-N 3.12Å; T1324-S1326 PolarHBondContact OG1-N 3.07Å; T1324-S1326 PolarHBondContact OG1-OG 2.98Å; S1326-R1328 VanDerWaalsContact C-N 3.33Å |
| 1327 | G | 64.8 | Low | 73.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 79.4 | 14.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1324 V1345 H1346 S1348 | T1324-G1327 PolarHBondContact O-N 2.81Å; T1324-G1327 VanDerWaalsContact O-N 3.11Å; G1327-V1345 PolarHBondContact O-N 2.65Å; G1327-H1346 CarbonylContact C-O 3.58Å; G1327-H1346 WeakPolarHBondContact CA-O 3.47Å; G1327-H1346 PolarHBondContact O-N 3.38Å; G1327-H1346 VanDerWaalsContact O-O 3.12Å; G1327-S1348 WeakPolarHBondContact CA-O 3.2Å; G1327-S1348 PolarHBondContact N-O 3.46Å |
| 1328 | R | 75.5 | Confident | 73.8 | Confident | 100 Ų | 100 | 26.8 Ų | 26.8 | 38% | 0.377 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 152 | 178 | -59 | -169.4 | -176.2 | -171 | 0.5 | 111.4 | C1302 T1324 S1326 E1342 L1343 | C1302-R1328 VanDerWaalsContact SG-CD 3.55Å; C1302-R1328 PolarHBondContact SG-NH1 2.91Å; T1324-R1328 PolarHBondContact N-O 2.88Å; T1324-R1328 PolarHBondContact OG1-N 2.87Å; T1324-R1328 PolarHBondContact OG1-O 2.89Å; S1326-R1328 VanDerWaalsContact C-N 3.33Å; R1328-E1342 WeakPolarHBondContact CD-OE1 3.49Å; R1328-E1342 IonicContact CZ-OE1 3.99Å; R1328-E1342 IonicContact NE-OE1 3.27Å; R1328-E1342 IonicContact NH1-OE1 3.04Å; R1328-E1342 PolarHBondContact NH1-OE1 2.66Å; R1328-L1343 CarbonylContact C-O 3.49Å; R1328-L1343 WeakPolarHBondContact CA-O 3.32Å |
| 1329 | V | 72.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.1 | 169.1 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | G1322 I1331 L1343 V1345 V1350 I1353 L1382 T1384 | G1322-V1329 WeakPolarHBondContact O-CA 3.37Å; V1329-I1331 HydrophobicContact CG1-CG1 4.47Å; V1329-L1343 PolarHBondContact N-O 2.94Å; V1329-L1343 PolarHBondContact O-N 3.18Å; V1329-V1345 HydrophobicContact CB-CG2 3.9Å; V1329-V1345 HydrophobicContact CG2-CB 4.08Å; V1329-V1345 HydrophobicContact CG2-CG1 4.3Å; V1329-V1345 HydrophobicContact CG2-CG2 3.64Å; V1329-V1350 HydrophobicContact CG2-CG2 4.47Å; V1329-I1353 HydrophobicContact CG1-CD1 4.06Å; V1329-I1353 HydrophobicContact CG2-CD1 3.72Å; V1329-L1382 HydrophobicContact CB-CD2 4.41Å; V1329-L1382 HydrophobicContact CG1-CD1 4.47Å; V1329-L1382 HydrophobicContact CG1-CD2 3.88Å; V1329-T1384 HydrophobicContact CG2-CG2 3.91Å |
| 1330 | L | 78.3 | Confident | 73 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.6 | -179.2 | -65.7 | 157.2 | 0 | 0 | 0 | 108.2 | C1300 A1321 G1322 T1324 W1332 K1339 E1342 | C1300-L1330 HydrophobicContact CB-CD1 4.05Å; C1300-L1330 VanDerWaalsContact SG-CD1 3.57Å; A1321-L1330 CarbonylContact C-O 3.54Å; A1321-L1330 VanDerWaalsContact CA-O 3.31Å; A1321-L1330 WeakPolarHBondContact CA-O 3.38Å; G1322-L1330 PolarHBondContact N-O 2.9Å; G1322-L1330 PolarHBondContact O-N 3.08Å; T1324-L1330 HydrophobicContact CG2-CD1 3.68Å; L1330-W1332 HydrophobicContact CB-CD2 4.42Å; L1330-W1332 HydrophobicContact CB-CE3 4.21Å; L1330-W1332 HydrophobicContact CB-CH2 3.22Å; L1330-W1332 HydrophobicContact CB-CZ2 3.44Å; L1330-W1332 VanDerWaalsContact CB-CZ2 3.44Å; L1330-W1332 HydrophobicContact CB-CZ3 3.63Å; L1330-W1332 HydrophobicContact CD1-CH2 3.68Å; L1330-W1332 HydrophobicContact CD1-CZ2 3.72Å; L1330-W1332 HydrophobicContact CG-CH2 4.06Å; L1330-W1332 HydrophobicContact CG-CZ2 4.08Å; L1330-W1332 WeakPolarHBondContact O-CZ3 3.4Å; L1330-K1339 HydrophobicContact CD2-CD 3.74Å; L1330-E1342 HydrophobicContact CD2-CB 3.8Å; L1330-E1342 HydrophobicContact CD2-CG 3.54Å |
| 1331 | I | 79.5 | Confident | 72.1 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.2 | 179.8 | -57.3 | 177.6 | 0 | 0 | 0 | 108.5 | I1319 L1320 A1321 V1329 L1340 V1341 | I1319-I1331 HydrophobicContact CG2-CG2 3.44Å; I1319-I1331 VanDerWaalsContact CG2-CG2 3.44Å; L1320-I1331 WeakPolarHBondContact O-CA 3.17Å; A1321-I1331 HydrophobicContact CB-CG1 4.35Å; V1329-I1331 HydrophobicContact CG1-CG1 4.47Å; I1331-L1340 HydrophobicContact CG2-CB 4.45Å; I1331-L1340 HydrophobicContact CG2-CD1 4.14Å; I1331-L1340 WeakPolarHBondContact O-CB 3.37Å; I1331-L1340 PolarHBondContact O-N 2.63Å; I1331-V1341 PolarHBondContact N-O 3.07Å; I1331-V1341 PolarHBondContact O-N 2.97Å |
| 1332 | W | 80.4 | Confident | 71.6 | Confident | 3 Ų | 3 | 35 Ų | 35 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.2 | -178.8 | -60.9 | -90.8 | 0 | 0 | 0 | 112 | L1298 L1320 L1330 C1338 | L1298-W1332 HydrophobicContact CD1-CB 3.96Å; L1298-W1332 HydrophobicContact CD1-CD2 4.14Å; L1298-W1332 HydrophobicContact CD1-CG 3.88Å; L1298-W1332 HydrophobicContact CD2-CB 4.41Å; L1298-W1332 HydrophobicContact CD2-CG 4.27Å; L1298-W1332 HydrophobicContact CG-CG 4.47Å; L1320-W1332 HydrophobicContact CG-CE3 4.48Å; L1320-W1332 PolarHBondContact N-O 2.9Å; L1320-W1332 PolarHBondContact O-N 3.07Å; L1330-W1332 HydrophobicContact CB-CD2 4.42Å; L1330-W1332 HydrophobicContact CB-CE3 4.21Å; L1330-W1332 HydrophobicContact CB-CH2 3.22Å; L1330-W1332 HydrophobicContact CB-CZ2 3.44Å; L1330-W1332 VanDerWaalsContact CB-CZ2 3.44Å; L1330-W1332 HydrophobicContact CB-CZ3 3.63Å; L1330-W1332 HydrophobicContact CD1-CH2 3.68Å; L1330-W1332 HydrophobicContact CD1-CZ2 3.72Å; L1330-W1332 HydrophobicContact CG-CH2 4.06Å; L1330-W1332 HydrophobicContact CG-CZ2 4.08Å; L1330-W1332 WeakPolarHBondContact O-CZ3 3.4Å; W1332-C1338 WeakPolarHBondContact CA-O 3.47Å |
| 1333 | R | 78.8 | Confident | 70.6 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.2 | 165.6 | -176.4 | 161.3 | 69.6 | -157.4 | 3.6 | 108.5 | R1335 D1336 G1337 C1338 L1340 P1402 | R1333-R1335 VanDerWaalsContact C-N 3.28Å; R1333-R1335 HydrophobicContact CG-CB 4.29Å; R1333-R1335 PolarHBondContact O-N 3.08Å; R1333-D1336 IonicContact CZ-OD2 3.37Å; R1333-D1336 IonicContact NE-OD2 3.39Å; R1333-D1336 PolarHBondContact NE-OD2 3.47Å; R1333-D1336 IonicContact NH2-OD2 2.67Å; R1333-D1336 PolarHBondContact NH2-OD2 3.31Å; R1333-G1337 WeakPolarHBondContact O-CA 3.22Å; R1333-G1337 PolarHBondContact O-N 3.46Å; R1333-C1338 PolarHBondContact N-O 2.87Å; R1333-L1340 HydrophobicContact CB-CD1 3.78Å; R1333-L1340 HydrophobicContact CB-CD2 3.95Å; R1333-L1340 HydrophobicContact CB-CG 3.95Å; R1333-P1402 PolarHBondContact NH1-O 3.49Å; R1333-P1402 VanDerWaalsContact NH1-O 3.09Å |
| 1334 | V | 72.4 | Confident | 69.8 | Low | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -35.2 | -174.6 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | L1238 I1267 L1296 C1318 L1320 D1336 | L1238-V1334 HydrophobicContact CD1-CG1 3.9Å; L1238-V1334 HydrophobicContact CD1-CG2 4.13Å; I1267-V1334 HydrophobicContact CD1-CG1 4.26Å; L1296-V1334 WeakPolarHBondContact CD2-O 3.49Å; C1318-V1334 HydrophobicContact CB-CB 4.1Å; C1318-V1334 HydrophobicContact CB-CG2 4.26Å; C1318-V1334 WeakPolarHBondContact O-CB 3.47Å; C1318-V1334 WeakPolarHBondContact O-CG2 3.46Å; C1318-V1334 PolarHBondContact O-N 2.85Å; L1320-V1334 HydrophobicContact CB-CG2 3.94Å; V1334-D1336 PolarHBondContact O-N 3.24Å |
| 1335 | R | 63.5 | Low | 68.6 | Low | 178 Ų | 178 | 42 Ų | 42 | 67% | 0.672 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -46 | -176.9 | -173.3 | -170.5 | 167.1 | 166 | -2.5 | 113.7 | R1333 | R1333-R1335 VanDerWaalsContact C-N 3.28Å; R1333-R1335 HydrophobicContact CG-CB 4.29Å; R1333-R1335 PolarHBondContact O-N 3.08Å |
| 1336 | D | 62.9 | Low | 67.7 | Low | 80 Ų | 80 | 41.6 Ų | 41.6 | 43% | 0.428 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -2.2 | -171.9 | -43 | -36.3 | 0 | 0 | 0 | 112.5 | R1333 V1334 C1338 | R1333-D1336 IonicContact CZ-OD2 3.37Å; R1333-D1336 IonicContact NE-OD2 3.39Å; R1333-D1336 PolarHBondContact NE-OD2 3.47Å; R1333-D1336 IonicContact NH2-OD2 2.67Å; R1333-D1336 PolarHBondContact NH2-OD2 3.31Å; V1334-D1336 PolarHBondContact O-N 3.24Å; D1336-C1338 HydrophobicContact CB-CB 4.38Å; D1336-C1338 PolarHBondContact O-N 3.28Å; D1336-C1338 VanDerWaalsContact O-N 3.13Å |
| 1337 | G | 65.6 | Low | 66.9 | Low | 19 Ų | 19 | 44.6 Ų | 44.6 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 11.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1298 R1333 K1339 | L1298-G1337 VanDerWaalsContact CD2-CA 3.43Å; L1298-G1337 WeakPolarHBondContact CD2-O 3.45Å; R1333-G1337 WeakPolarHBondContact O-CA 3.22Å; R1333-G1337 PolarHBondContact O-N 3.46Å; G1337-K1339 PolarHBondContact O-N 2.86Å |
| 1338 | C | 65.6 | Low | 66.5 | Low | 57 Ų | 57 | 46.4 Ų | 46.4 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.4 | -178.5 | -169.1 | 0 | 0 | 0 | 0 | 110.4 | W1332 R1333 D1336 L1340 | W1332-C1338 WeakPolarHBondContact CA-O 3.47Å; R1333-C1338 PolarHBondContact N-O 2.87Å; D1336-C1338 HydrophobicContact CB-CB 4.38Å; D1336-C1338 PolarHBondContact O-N 3.28Å; D1336-C1338 VanDerWaalsContact O-N 3.13Å; C1338-L1340 PolarHBondContact O-N 3.45Å |
| 1339 | K | 72 | Confident | 66 | Low | 78 Ų | 78 | 48.8 Ų | 48.8 | 34% | 0.339 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 112.9 | 167.8 | -174.8 | 178.2 | 66.5 | 173 | 0 | 108.4 | S1301 L1330 G1337 E1342 | S1301-K1339 PolarHBondContact OG-NZ 3.4Å; L1330-K1339 HydrophobicContact CD2-CD 3.74Å; G1337-K1339 PolarHBondContact O-N 2.86Å; K1339-E1342 HydrophobicContact CD-CB 4.47Å; K1339-E1342 IonicContact NZ-OE2 2.67Å; K1339-E1342 PolarHBondContact NZ-OE2 2.84Å |
| 1340 | L | 63.8 | Low | 65.6 | Low | 24 Ų | 24 | 48.8 Ų | 48.8 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -50.3 | -176.8 | -63 | 169.5 | 0 | 0 | 0 | 110.9 | I1331 R1333 C1338 L1401 | I1331-L1340 HydrophobicContact CG2-CB 4.45Å; I1331-L1340 HydrophobicContact CG2-CD1 4.14Å; I1331-L1340 WeakPolarHBondContact O-CB 3.37Å; I1331-L1340 PolarHBondContact O-N 2.63Å; R1333-L1340 HydrophobicContact CB-CD1 3.78Å; R1333-L1340 HydrophobicContact CB-CD2 3.95Å; R1333-L1340 HydrophobicContact CB-CG 3.95Å; C1338-L1340 PolarHBondContact O-N 3.45Å; L1340-L1401 HydrophobicContact CB-CD2 3.79Å; L1340-L1401 HydrophobicContact CD1-CD2 3.3Å; L1340-L1401 HydrophobicContact CD2-CD2 3.6Å; L1340-L1401 HydrophobicContact CG-CD2 3.71Å |
| 1341 | V | 63 | Low | 64.8 | Low | 21 Ų | 21 | 50.4 Ų | 50.4 | 13% | 0.127 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 145.4 | -174.7 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | I1331 L1343 C1400 | I1331-V1341 PolarHBondContact N-O 3.07Å; I1331-V1341 PolarHBondContact O-N 2.97Å; V1341-L1343 HydrophobicContact CG1-CD1 4.39Å; V1341-L1343 HydrophobicContact CG1-CD2 3.63Å; V1341-L1343 HydrophobicContact CG1-CG 3.75Å; V1341-C1400 HydrophobicContact CG2-CB 3.66Å |
| 1342 | E | 68.6 | Low | 63.8 | Low | 57 Ų | 57 | 50.8 Ų | 50.8 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.7 | 168.2 | 178.3 | 173.1 | 173.3 | 0 | 0 | 109 | S1301 C1302 R1328 L1330 K1339 | S1301-E1342 PolarHBondContact OG-OE1 3.33Å; S1301-E1342 PolarHBondContact OG-OE2 2.94Å; C1302-E1342 PolarHBondContact SG-OE1 2.84Å; R1328-E1342 WeakPolarHBondContact CD-OE1 3.49Å; R1328-E1342 IonicContact CZ-OE1 3.99Å; R1328-E1342 IonicContact NE-OE1 3.27Å; R1328-E1342 IonicContact NH1-OE1 3.04Å; R1328-E1342 PolarHBondContact NH1-OE1 2.66Å; L1330-E1342 HydrophobicContact CD2-CB 3.8Å; L1330-E1342 HydrophobicContact CD2-CG 3.54Å; K1339-E1342 HydrophobicContact CD-CB 4.47Å; K1339-E1342 IonicContact NZ-OE2 2.67Å; K1339-E1342 PolarHBondContact NZ-OE2 2.84Å |
| 1343 | L | 57.3 | Low | 63.5 | Low | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.8 | -176.3 | -60.4 | 174.4 | 0 | 0 | 0 | 110 | R1328 V1329 V1341 V1345 V1396 | R1328-L1343 CarbonylContact C-O 3.49Å; R1328-L1343 WeakPolarHBondContact CA-O 3.32Å; V1329-L1343 PolarHBondContact N-O 2.94Å; V1329-L1343 PolarHBondContact O-N 3.18Å; V1341-L1343 HydrophobicContact CG1-CD1 4.39Å; V1341-L1343 HydrophobicContact CG1-CD2 3.63Å; V1341-L1343 HydrophobicContact CG1-CG 3.75Å; L1343-V1345 HydrophobicContact CB-CG2 3.7Å; L1343-V1345 PolarHBondContact O-N 3.22Å; L1343-V1396 HydrophobicContact CD1-CG2 3.83Å |
| 1344 | S | 60.1 | Low | 63.2 | Low | 101 Ų | 101 | 55.9 Ų | 55.9 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 100.8 | 166.1 | 55.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1345 | V | 51.3 | Low | 62.9 | Low | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | trans | -99.2 | -44.5 | -165.5 | 168 | 0 | 0 | 0 | 0 | 111.2 | G1327 V1329 L1343 T1384 K1392 W1394 | G1327-V1345 PolarHBondContact O-N 2.65Å; V1329-V1345 HydrophobicContact CB-CG2 3.9Å; V1329-V1345 HydrophobicContact CG2-CB 4.08Å; V1329-V1345 HydrophobicContact CG2-CG1 4.3Å; V1329-V1345 HydrophobicContact CG2-CG2 3.64Å; L1343-V1345 HydrophobicContact CB-CG2 3.7Å; L1343-V1345 PolarHBondContact O-N 3.22Å; V1345-T1384 HydrophobicContact CG1-CG2 3.86Å; V1345-T1384 WeakPolarHBondContact CG1-OG1 3.43Å; V1345-K1392 PolarHBondContact O-NZ 2.86Å; V1345-W1394 HydrophobicContact CB-CH2 4.47Å; V1345-W1394 HydrophobicContact CB-CZ2 3.82Å; V1345-W1394 VanDerWaalsContact CG1-CE2 3.5Å; V1345-W1394 HydrophobicContact CG1-CH2 4.41Å; V1345-W1394 HydrophobicContact CG1-CZ2 3.34Å; V1345-W1394 HydrophobicContact CG2-CH2 4.48Å; V1345-W1394 HydrophobicContact CG2-CZ2 4.03Å | ||
| 1346 | H | 51.9 | Low | 62.6 | Low | 15 Ų | 15 | 47.3 Ų | 47.3 | 7% | 0.069 | 27% | 0.265 | C | S | . | . | trans | -130.7 | 159.6 | -178.8 | -68 | -66.6 | 0 | 0 | 0 | 110.2 | G1327 T1384 V1390 | G1327-H1346 CarbonylContact C-O 3.58Å; G1327-H1346 WeakPolarHBondContact CA-O 3.47Å; G1327-H1346 PolarHBondContact O-N 3.38Å; G1327-H1346 VanDerWaalsContact O-O 3.12Å; H1346-T1384 PolarHBondContact NE2-O 3.23Å; H1346-T1384 PolarHBondContact NE2-OG1 3.05Å; H1346-V1390 PolarHBondContact CE1-O 3.37Å; H1346-V1390 VanDerWaalsContact CE1-O 3.29Å | ||
| 1347 | A | 56.9 | Low | 61.9 | Low | 111 Ų | 111 | 46.4 Ų | 46.4 | 92% | 0.917 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -86.6 | -12.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1348 | S | 56.7 | Low | 60.9 | Low | 38 Ų | 38 | 47.5 Ų | 47.5 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -124 | 178.5 | -178.4 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | G1327 S1386 | G1327-S1348 WeakPolarHBondContact CA-O 3.2Å; G1327-S1348 PolarHBondContact N-O 3.46Å; S1348-S1386 WeakPolarHBondContact CB-OG 3.17Å; S1348-S1386 PolarHBondContact O-OG 3.16Å |
| 1349 | W | 64.9 | Low | 59.6 | Low | 149 Ų | 149 | 50.6 Ų | 50.6 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | trans | -60.3 | 137.7 | -172.2 | -53 | -4.4 | 0 | 0 | 0 | 111.4 | L1307 A1325 T1351 S1386 V1387 | L1307-W1349 HydrophobicContact CD1-CB 3.85Å; L1307-W1349 HydrophobicContact CD1-CD2 4.33Å; L1307-W1349 HydrophobicContact CD1-CE3 4.25Å; L1307-W1349 HydrophobicContact CD1-CG 4.22Å; A1325-W1349 HydrophobicContact CB-CG 4.35Å; A1325-W1349 PolarHBondContact O-NE1 3.49Å; W1349-T1351 PolarHBondContact O-N 2.81Å; W1349-S1386 WeakPolarHBondContact O-CA 3.42Å; W1349-S1386 WeakPolarHBondContact O-CB 3.15Å; W1349-S1386 PolarHBondContact O-OG 3.05Å; W1349-V1387 HydrophobicContact CB-CG2 3.71Å; W1349-V1387 HydrophobicContact CD2-CG2 4.35Å; W1349-V1387 HydrophobicContact CE3-CG2 4.04Å; W1349-V1387 HydrophobicContact CG-CG2 4.27Å; W1349-V1387 PolarHBondContact O-N 3.31Å; W1349-V1387 VanDerWaalsContact O-N 3.17Å | ||
| 1350 | V | 64.4 | Low | 57.6 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 106.2 | 174.6 | -169.2 | 0 | 0 | 0 | 0 | 109.4 | S1308 T1324 V1329 I1353 A1385 | S1308-V1350 PolarHBondContact OG-O 3.34Å; T1324-V1350 PolarHBondContact O-N 3.17Å; V1329-V1350 HydrophobicContact CG2-CG2 4.47Å; V1350-I1353 HydrophobicContact CG1-CD1 3.84Å; V1350-I1353 HydrophobicContact CG1-CG1 3.57Å; V1350-A1385 CarbonylContact C-O 3.6Å; V1350-A1385 WeakPolarHBondContact CA-O 3.44Å; V1350-A1385 WeakPolarHBondContact CG1-O 3.17Å |
| 1351 | T | 60.4 | Low | 55.9 | Low | 34 Ų | 34 | 59 Ų | 59 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -29.9 | -173.7 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | A806 V807 W1349 A1385 V1387 | A806-T1351 HydrophobicContact CB-CG2 4.33Å; V807-T1351 VanDerWaalsContact O-CB 3.23Å; V807-T1351 WeakPolarHBondContact O-CB 3.26Å; V807-T1351 PolarHBondContact O-OG1 2.81Å; W1349-T1351 PolarHBondContact O-N 2.81Å; T1351-A1385 PolarHBondContact N-O 2.8Å; T1351-A1385 PolarHBondContact OG1-O 3.34Å; T1351-V1387 HydrophobicContact CG2-CB 4.26Å; T1351-V1387 HydrophobicContact CG2-CG2 3.26Å |
| 1352 | A | 59.5 | Low | 54.1 | Low | 11 Ų | 11 | 65.7 Ų | 65.7 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 144.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L810 T1384 A1385 | L810-A1352 HydrophobicContact CD1-CB 4.13Å; L810-A1352 HydrophobicContact CG-CB 4.42Å; A1352-T1384 WeakPolarHBondContact O-CA 3.41Å; A1352-A1385 HydrophobicContact CB-CB 4.25Å; A1352-A1385 PolarHBondContact O-N 3.47Å |
| 1353 | I | 73 | Confident | 52 | Low | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.7 | 177.2 | -67.9 | -173.8 | 0 | 0 | 0 | 109.5 | D1310 G1323 V1329 V1350 L1382 L1383 T1384 | D1310-I1353 HydrophobicContact CB-CG2 4.43Å; G1323-I1353 VanDerWaalsContact N-CD1 3.27Å; V1329-I1353 HydrophobicContact CG1-CD1 4.06Å; V1329-I1353 HydrophobicContact CG2-CD1 3.72Å; V1350-I1353 HydrophobicContact CG1-CD1 3.84Å; V1350-I1353 HydrophobicContact CG1-CG1 3.57Å; I1353-L1382 HydrophobicContact CG2-CD1 3.5Å; I1353-L1383 CarbonylContact C-O 3.53Å; I1353-L1383 WeakPolarHBondContact CA-O 3.32Å; I1353-T1384 HydrophobicContact CG1-CG2 4.24Å |
| 1354 | R | 72.5 | Confident | 50.4 | Low | 118 Ų | 118 | 72.3 Ų | 72.3 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 125.6 | 170.2 | -165.3 | 68.8 | 171.8 | 164.4 | -7.4 | 111.4 | D1310 L1383 | D1310-R1354 IonicContact OD1-NH1 3.47Å; D1310-R1354 PolarHBondContact OD1-NH1 2.79Å; D1310-R1354 WeakPolarHBondContact OD2-CA 3.37Å; D1310-R1354 WeakPolarHBondContact OD2-CD 3.4Å; D1310-R1354 IonicContact OD2-NH1 3.75Å; R1354-L1383 PolarHBondContact N-O 3.47Å; R1354-L1383 PolarHBondContact O-N 3.07Å |
| 1355 | L | 66.1 | Low | 48.7 | Very low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.9 | 169.1 | -69.1 | 171.4 | 0 | 0 | 0 | 108.9 | D1310 R1312 A1321 I1380 L1382 | D1310-L1355 HydrophobicContact CB-CD1 4.44Å; D1310-L1355 HydrophobicContact CB-CG 4.34Å; D1310-L1355 WeakPolarHBondContact O-CD1 3.32Å; D1310-L1355 PolarHBondContact OD2-N 3.48Å; R1312-L1355 HydrophobicContact CB-CB 4.47Å; R1312-L1355 HydrophobicContact CB-CD1 4.26Å; R1312-L1355 PolarHBondContact NH1-O 3.34Å; A1321-L1355 HydrophobicContact CB-CD1 4.03Å; A1321-L1355 HydrophobicContact CB-CD2 4.01Å; A1321-L1355 HydrophobicContact CB-CG 4.15Å; L1355-I1380 HydrophobicContact CD2-CG2 3.79Å; L1355-L1382 HydrophobicContact CD2-CD1 3.8Å |
| 1356 | L | 57.5 | Low | 47.4 | Very low | 16 Ų | 16 | 79.3 Ų | 79.3 | 8% | 0.084 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 151 | -174.9 | -63.4 | 173 | 0 | 0 | 0 | 111.6 | V812 R1312 G1381 | V812-L1356 HydrophobicContact CG2-CD2 4.28Å; R1312-L1356 PolarHBondContact NH1-O 2.87Å; L1356-G1381 PolarHBondContact N-O 2.98Å |
| 1357 | P | 48.4 | Very low | 46.1 | Very low | 61 Ų | 61 | 85.7 Ų | 85.7 | 40% | 0.396 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 149 | 180 | -11.5 | 23.2 | 0 | 0 | 0 | 112.9 | R1312 D1359 | R1312-P1357 VanDerWaalsContact NH1-CA 3.26Å; R1312-P1357 VanDerWaalsContact NH2-CB 3.27Å; P1357-D1359 PolarHBondContact O-N 2.71Å; P1357-D1359 VanDerWaalsContact O-N 3.11Å |
| 1358 | D | 44.1 | Very low | 44.4 | Very low | 43 Ų | 43 | 90.5 Ų | 90.5 | 23% | 0.23 | 46% | 0.459 | C | S | . | . | trans | -69.9 | 97.4 | 160.8 | -64.9 | -23 | 0 | 0 | 0 | 107.5 | F1360 | D1358-F1360 PolarHBondContact O-N 3.5Š| ||
| 1359 | D | 38.7 | Very low | 42.8 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 65% | 0.647 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 21.1 | 179.2 | -74.9 | -20.9 | 0 | 0 | 0 | 113.4 | P1357 | P1357-D1359 PolarHBondContact O-N 2.71Å; P1357-D1359 VanDerWaalsContact O-N 3.11Å |
| 1360 | F | 30.3 | Very low | 40.8 | Very low | 91 Ų | 91 | 98.6 Ų | 98.6 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 1.4 | -169.3 | -71.6 | -76.3 | 0 | 0 | 0 | 116.4 | D1358 L1378 | D1358-F1360 PolarHBondContact O-N 3.5Å; F1360-L1378 HydrophobicContact CD2-CD2 4.33Å; F1360-L1378 HydrophobicContact CE2-CD2 4.47Å |
| 1361 | K | 27.8 | Very low | 38.8 | Very low | 187 Ų | 187 | 107.4 Ų | 107.4 | 81% | 0.813 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9 | -175.2 | -91 | -170.5 | 179 | -177.2 | 0 | 117.4 | F1363 | K1361-F1363 VanDerWaalsContact C-N 3.32Å; K1361-F1363 PolarHBondContact O-N 3.24Å |
| 1362 | Q | 25.1 | Very low | 37.1 | Very low | 163 Ų | 163 | 113.9 Ų | 113.9 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 16.8 | 176.1 | -92.3 | -178.7 | -9.4 | 0 | 0 | 114.9 | ||
| 1363 | F | 24.9 | Very low | 35.5 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 63% | 0.627 | 60% | 0.598 | S | S | * | * | trans | -107.4 | 63.7 | 173.4 | -62.5 | -76.8 | 0 | 0 | 0 | 111.4 | K1361 T2090 | K1361-F1363 VanDerWaalsContact C-N 3.32Å; K1361-F1363 PolarHBondContact O-N 3.24Å; F1363-T2090 HydrophobicContact CE1-CG2 3.79Å; F1363-T2090 HydrophobicContact CE2-CG2 3.54Å; F1363-T2090 VanDerWaalsContact CE2-OG1 3.24Å; F1363-T2090 WeakPolarHBondContact CE2-OG1 3.41Å; F1363-T2090 HydrophobicContact CZ-CG2 3.06Å | ||
| 1364 | S | 24.5 | Very low | 33.2 | Very low | 97 Ų | 97 | 124 Ų | 124 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | trans | -155.8 | 76.9 | 167 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1365 | D | 23.5 | Very low | 30.9 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 94% | 0.941 | 65% | 0.645 | S | S | * | * | trans | -151.3 | 109.9 | 154 | -95.8 | -25.8 | 0 | 0 | 0 | 106.7 | ||||
| 1366 | G | 24.3 | Very low | 29.2 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 137.4 | 76.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1367 | D | 24 | Very low | 27.9 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | 44.8 | 97.4 | 151.5 | -61.3 | -18.9 | 0 | 0 | 0 | 120.5 | ||||
| 1368 | Y | 22.4 | Very low | 27 | Very low | 213 Ų | 213 | 130.2 Ų | 130.2 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | 55.7 | 64.1 | 124.6 | -113.6 | -77.6 | 0 | 0 | 0 | 118.9 | |||||
| 1369 | F | 21.9 | Very low | 26.8 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | trans | -146.5 | 114.7 | 150.1 | -80.2 | -70.5 | 0 | 0 | 0 | 112.7 | F1371 | F1369-F1371 PolarHBondContact O-N 2.9Å; F1369-F1371 VanDerWaalsContact O-N 3.12Å | ||
| 1370 | D | 23.3 | Very low | 27.3 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 88% | 0.877 | 65% | 0.65 | S | S | * | * | trans | -59.7 | 100.2 | 179.4 | -81.6 | -39.4 | 0 | 0 | 0 | 112.8 | ||||
| 1371 | F | 22.2 | Very low | 28.3 | Very low | 185 Ų | 185 | 122.4 Ų | 122.4 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | trans | -96.4 | 102.6 | 162.3 | -90.6 | -83.7 | 0 | 0 | 0 | 110.4 | F1369 V1373 | F1369-F1371 PolarHBondContact O-N 2.9Å; F1369-F1371 VanDerWaalsContact O-N 3.12Å; F1371-V1373 VanDerWaalsContact C-N 3.27Å; F1371-V1373 PolarHBondContact O-N 3.24Å | ||
| 1372 | N | 26.1 | Very low | 29.7 | Very low | 169 Ų | 169 | 113.5 Ų | 113.5 | 90% | 0.904 | 60% | 0.598 | S | S | * | * | trans | -76.6 | 68.1 | 172.9 | -108.6 | -21.7 | 0 | 0 | 0 | 111.4 | ||||
| 1373 | V | 24.2 | Very low | 31.2 | Very low | 100 Ų | 100 | 106.1 Ų | 106.1 | 61% | 0.606 | 56% | 0.563 | S | S | * | * | trans | -106.5 | 121.7 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | F1371 K1375 | F1371-V1373 VanDerWaalsContact C-N 3.27Å; F1371-V1373 PolarHBondContact O-N 3.24Å; V1373-K1375 PolarHBondContact O-N 3.15Å | ||
| 1374 | N | 25.1 | Very low | 32.7 | Very low | 141 Ų | 141 | 99.3 Ų | 99.3 | 75% | 0.754 | 53% | 0.533 | S | S | * | . | trans | -53.3 | 108.1 | -168.6 | -72.4 | -39.4 | 0 | 0 | 0 | 115.2 | S1376 | N1374-S1376 VanDerWaalsContact C-N 3.33Å; N1374-S1376 PolarHBondContact O-N 3.48Å | ||
| 1375 | K | 25.4 | Very low | 34.2 | Very low | 178 Ų | 178 | 94.7 Ų | 94.7 | 77% | 0.774 | 50% | 0.501 | S | S | * | . | trans | -71.8 | 39.3 | -177.6 | -64.6 | 179 | 171.9 | 175.4 | 0 | 116.9 | V1373 | V1373-K1375 PolarHBondContact O-N 3.15Š| ||
| 1376 | S | 28.7 | Very low | 35.9 | Very low | 62 Ų | 62 | 86.3 Ų | 86.3 | 43% | 0.434 | 46% | 0.456 | S | S | . | . | trans | -107.6 | 15.6 | -167.2 | 70.1 | 0 | 0 | 0 | 0 | 119 | N1374 | N1374-S1376 VanDerWaalsContact C-N 3.33Å; N1374-S1376 PolarHBondContact O-N 3.48Å | ||
| 1377 | C | 30.5 | Very low | 37.2 | Very low | 39 Ų | 39 | 85 Ų | 85 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | trans | -146.6 | 55.8 | -166 | -65.5 | 0 | 0 | 0 | 0 | 118.9 | G2085 | C1377-G2085 WeakPolarHBondContact CB-O 3.35Š| ||
| 1378 | L | 31.1 | Very low | 38.4 | Very low | 46 Ų | 46 | 81.3 Ų | 81.3 | 24% | 0.241 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 141.5 | 172 | -72.9 | 173.6 | 0 | 0 | 0 | 114.2 | E1315 F1360 | E1315-L1378 HydrophobicContact CG-CB 4.37Å; E1315-L1378 HydrophobicContact CG-CD1 4.18Å; E1315-L1378 WeakPolarHBondContact OE1-CD1 3.31Å; F1360-L1378 HydrophobicContact CD2-CD2 4.33Å; F1360-L1378 HydrophobicContact CE2-CD2 4.47Å |
| 1379 | P | 39.3 | Very low | 39.5 | Very low | 73 Ų | 73 | 71.2 Ų | 71.2 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 146.8 | 180 | 32.1 | -34.4 | 0 | 0 | 0 | 114 | V1396 | P1379-V1396 WeakPolarHBondContact CA-O 3.29Å; P1379-V1396 WeakPolarHBondContact CB-O 3.48Å |
| 1380 | I | 47.9 | Very low | 40.8 | Very low | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.3 | -176.7 | -55.9 | 171.8 | 0 | 0 | 0 | 110.2 | I1314 I1319 L1355 V1396 L1401 | I1314-I1380 HydrophobicContact CD1-CB 4.34Å; I1314-I1380 HydrophobicContact CD1-CD1 4.3Å; I1314-I1380 HydrophobicContact CD1-CG1 3.85Å; I1314-I1380 HydrophobicContact CD1-CG2 3.83Å; I1319-I1380 HydrophobicContact CD1-CD1 3.48Å; I1319-I1380 VanDerWaalsContact CD1-CD1 3.48Å; I1319-I1380 HydrophobicContact CD1-CG1 4.42Å; I1319-I1380 HydrophobicContact CG2-CD1 4.44Å; L1355-I1380 HydrophobicContact CD2-CG2 3.79Å; I1380-V1396 PolarHBondContact N-O 3.25Å; I1380-V1396 PolarHBondContact O-N 3.46Å; I1380-L1401 HydrophobicContact CD1-CD1 4.18Å |
| 1381 | G | 52.7 | Low | 42 | Very low | 12 Ų | 12 | 55.2 Ų | 55.2 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1356 | L1356-G1381 PolarHBondContact N-O 2.98Å |
| 1382 | L | 57.1 | Low | 43.4 | Very low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.3 | -175.4 | 175.2 | 81.3 | 0 | 0 | 0 | 110.3 | A1321 V1329 I1353 L1355 T1384 R1393 W1394 | A1321-L1382 HydrophobicContact CB-CD1 4.47Å; V1329-L1382 HydrophobicContact CB-CD2 4.41Å; V1329-L1382 HydrophobicContact CG1-CD1 4.47Å; V1329-L1382 HydrophobicContact CG1-CD2 3.88Å; I1353-L1382 HydrophobicContact CG2-CD1 3.5Å; L1355-L1382 HydrophobicContact CD2-CD1 3.8Å; L1382-T1384 HydrophobicContact CD1-CG2 4.39Å; L1382-T1384 HydrophobicContact CD2-CG2 3.78Å; L1382-T1384 HydrophobicContact CG-CG2 3.83Å; L1382-R1393 CarbonylContact O-C 3.55Å; L1382-W1394 HydrophobicContact CB-CB 4.21Å; L1382-W1394 HydrophobicContact CD2-CB 4.38Å; L1382-W1394 HydrophobicContact CD2-CG 4.41Å; L1382-W1394 PolarHBondContact N-O 3.26Å; L1382-W1394 PolarHBondContact O-N 3.13Å; L1382-W1394 VanDerWaalsContact O-O 3.14Å |
| 1383 | L | 56 | Low | 44.6 | Very low | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.6 | 173.1 | -149.7 | 125 | 0 | 0 | 0 | 109.6 | L810 Y858 I1353 R1354 I1391 K1392 R1393 | L810-L1383 HydrophobicContact CD1-CD2 3.5Å; L810-L1383 VanDerWaalsContact CD1-CD2 3.5Å; L810-L1383 HydrophobicContact CD2-CD2 4.19Å; L810-L1383 HydrophobicContact CG-CD2 4.35Å; Y858-L1383 HydrophobicContact CE1-CD1 4.47Å; I1353-L1383 CarbonylContact C-O 3.53Å; I1353-L1383 WeakPolarHBondContact CA-O 3.32Å; R1354-L1383 PolarHBondContact N-O 3.47Å; R1354-L1383 PolarHBondContact O-N 3.07Å; L1383-I1391 HydrophobicContact CD2-CG2 3.55Å; L1383-I1391 HydrophobicContact CG-CG2 4.34Å; L1383-K1392 WeakPolarHBondContact CA-O 3.12Å; L1383-R1393 HydrophobicContact CD1-CB 4.04Å; L1383-R1393 HydrophobicContact CD1-CG 4.27Å; L1383-R1393 HydrophobicContact CG-CB 4.5Å |
| 1384 | T | 56.7 | Low | 45.7 | Very low | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.9 | -173.5 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | V1329 V1345 H1346 A1352 I1353 L1382 I1391 K1392 W1394 | V1329-T1384 HydrophobicContact CG2-CG2 3.91Å; V1345-T1384 HydrophobicContact CG1-CG2 3.86Å; V1345-T1384 WeakPolarHBondContact CG1-OG1 3.43Å; H1346-T1384 PolarHBondContact NE2-O 3.23Å; H1346-T1384 PolarHBondContact NE2-OG1 3.05Å; A1352-T1384 WeakPolarHBondContact O-CA 3.41Å; I1353-T1384 HydrophobicContact CG1-CG2 4.24Å; L1382-T1384 HydrophobicContact CD1-CG2 4.39Å; L1382-T1384 HydrophobicContact CD2-CG2 3.78Å; L1382-T1384 HydrophobicContact CG-CG2 3.83Å; T1384-I1391 CarbonylContact O-C 3.54Å; T1384-I1391 WeakPolarHBondContact O-CA 3.23Å; T1384-K1392 PolarHBondContact N-O 2.97Å; T1384-K1392 PolarHBondContact O-N 2.82Å; T1384-K1392 PolarHBondContact OG1-O 3.33Å; T1384-W1394 PolarHBondContact OG1-NE1 3.25Å |
| 1385 | A | 56.4 | Low | 46.7 | Very low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V807 L810 V1350 T1351 A1352 V1390 I1391 | V807-A1385 HydrophobicContact CB-CB 3.98Å; V807-A1385 HydrophobicContact CG1-CB 3.83Å; L810-A1385 HydrophobicContact CD1-CB 3.95Å; V1350-A1385 CarbonylContact C-O 3.6Å; V1350-A1385 WeakPolarHBondContact CA-O 3.44Å; V1350-A1385 WeakPolarHBondContact CG1-O 3.17Å; T1351-A1385 PolarHBondContact N-O 2.8Å; T1351-A1385 PolarHBondContact OG1-O 3.34Å; A1352-A1385 HydrophobicContact CB-CB 4.25Å; A1352-A1385 PolarHBondContact O-N 3.47Å; A1385-V1390 WeakPolarHBondContact CA-O 3.28Å; A1385-I1391 HydrophobicContact CB-CG1 3.94Å |
| 1386 | S | 58.2 | Low | 47.3 | Very low | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 163.2 | 176.9 | -171.3 | 0 | 0 | 0 | 0 | 112.9 | S1348 W1349 D1388 G1389 V1390 | S1348-S1386 WeakPolarHBondContact CB-OG 3.17Å; S1348-S1386 PolarHBondContact O-OG 3.16Å; W1349-S1386 WeakPolarHBondContact O-CA 3.42Å; W1349-S1386 WeakPolarHBondContact O-CB 3.15Å; W1349-S1386 PolarHBondContact O-OG 3.05Å; S1386-D1388 VanDerWaalsContact CB-OD1 3.23Å; S1386-D1388 WeakPolarHBondContact CB-OD1 3.44Å; S1386-D1388 PolarHBondContact O-N 3.3Å; S1386-G1389 PolarHBondContact O-N 2.82Å; S1386-V1390 PolarHBondContact N-O 3.27Å |
| 1387 | V | 52.1 | Low | 47.7 | Very low | 49 Ų | 49 | 27.9 Ų | 27.9 | 30% | 0.297 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.9 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 112.7 | A806 W1349 T1351 G1389 | A806-V1387 HydrophobicContact CB-CB 4.48Å; A806-V1387 HydrophobicContact CB-CG1 4.33Å; A806-V1387 HydrophobicContact CB-CG2 4.42Å; W1349-V1387 HydrophobicContact CB-CG2 3.71Å; W1349-V1387 HydrophobicContact CD2-CG2 4.35Å; W1349-V1387 HydrophobicContact CE3-CG2 4.04Å; W1349-V1387 HydrophobicContact CG-CG2 4.27Å; W1349-V1387 PolarHBondContact O-N 3.31Å; W1349-V1387 VanDerWaalsContact O-N 3.17Å; T1351-V1387 HydrophobicContact CG2-CB 4.26Å; T1351-V1387 HydrophobicContact CG2-CG2 3.26Å; V1387-G1389 PolarHBondContact O-N 3.11Å |
| 1388 | D | 48.3 | Very low | 47.9 | Very low | 71 Ų | 71 | 26.7 Ų | 26.7 | 38% | 0.38 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 7.8 | 177.6 | 65.6 | -2.2 | 0 | 0 | 0 | 114 | T802 S1386 V1390 | T802-D1388 VanDerWaalsContact OG1-C 3.31Å; T802-D1388 PolarHBondContact OG1-O 2.85Å; S1386-D1388 VanDerWaalsContact CB-OD1 3.23Å; S1386-D1388 WeakPolarHBondContact CB-OD1 3.44Å; S1386-D1388 PolarHBondContact O-N 3.3Å; D1388-V1390 VanDerWaalsContact C-N 3.27Å; D1388-V1390 PolarHBondContact O-N 3.43Å; D1388-V1390 VanDerWaalsContact OD1-CB 3.28Å; D1388-V1390 WeakPolarHBondContact OD1-CB 3.33Å; D1388-V1390 WeakPolarHBondContact OD1-CG2 3.5Å; D1388-V1390 PolarHBondContact OD1-N 3.12Å; D1388-V1390 VanDerWaalsContact OD1-N 3.07Å |
| 1389 | G | 45.7 | Very low | 48 | Very low | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 82.6 | -0.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1386 V1387 | S1386-G1389 PolarHBondContact O-N 2.82Å; V1387-G1389 PolarHBondContact O-N 3.11Å |
| 1390 | V | 50.6 | Low | 47.6 | Very low | 21 Ų | 21 | 28.3 Ų | 28.3 | 13% | 0.127 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.1 | -176.8 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | L797 W798 H1346 A1385 S1386 D1388 K1392 | L797-V1390 HydrophobicContact CD1-CG1 3.37Å; L797-V1390 HydrophobicContact CG-CG1 3.86Å; W798-V1390 WeakPolarHBondContact O-CA 3.42Å; H1346-V1390 PolarHBondContact CE1-O 3.37Å; H1346-V1390 VanDerWaalsContact CE1-O 3.29Å; A1385-V1390 WeakPolarHBondContact CA-O 3.28Å; S1386-V1390 PolarHBondContact N-O 3.27Å; D1388-V1390 VanDerWaalsContact C-N 3.27Å; D1388-V1390 PolarHBondContact O-N 3.43Å; D1388-V1390 VanDerWaalsContact OD1-CB 3.28Å; D1388-V1390 WeakPolarHBondContact OD1-CB 3.33Å; D1388-V1390 WeakPolarHBondContact OD1-CG2 3.5Å; D1388-V1390 PolarHBondContact OD1-N 3.12Å; D1388-V1390 VanDerWaalsContact OD1-N 3.07Å; V1390-K1392 HydrophobicContact CG1-CG 4.13Å |
| 1391 | I | 47.8 | Very low | 46.7 | Very low | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.2 | 174.5 | -54.7 | 164.3 | 0 | 0 | 0 | 108.7 | W798 I800 V807 L810 A860 L870 L1383 T1384 A1385 | W798-I1391 HydrophobicContact CB-CB 4.35Å; W798-I1391 HydrophobicContact CE3-CB 3.92Å; W798-I1391 HydrophobicContact CE3-CD1 4.32Å; W798-I1391 HydrophobicContact CE3-CG2 3.68Å; W798-I1391 HydrophobicContact CZ3-CG2 4.05Å; W798-I1391 PolarHBondContact N-O 3.42Å; W798-I1391 PolarHBondContact O-N 2.88Å; I800-I1391 HydrophobicContact CD1-CD1 3.77Å; V807-I1391 HydrophobicContact CG1-CD1 4.4Å; V807-I1391 HydrophobicContact CG2-CD1 4.29Å; V807-I1391 HydrophobicContact CG2-CG1 4.31Å; L810-I1391 HydrophobicContact CD2-CD1 3.94Å; L810-I1391 HydrophobicContact CD2-CG2 4.4Å; A860-I1391 HydrophobicContact CB-CD1 3.76Å; L870-I1391 HydrophobicContact CD1-CD1 4.13Å; L1383-I1391 HydrophobicContact CD2-CG2 3.55Å; L1383-I1391 HydrophobicContact CG-CG2 4.34Å; T1384-I1391 CarbonylContact O-C 3.54Å; T1384-I1391 WeakPolarHBondContact O-CA 3.23Å; A1385-I1391 HydrophobicContact CB-CG1 3.94Å |
| 1392 | K | 50.9 | Low | 45.6 | Very low | 29 Ų | 29 | 32.3 Ų | 32.3 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.9 | -179.5 | -69.7 | -179.3 | -174.9 | -167.8 | 0 | 110.9 | L797 V1345 L1383 T1384 V1390 W1394 | L797-K1392 HydrophobicContact CD1-CD 4.22Å; L797-K1392 VanDerWaalsContact CD1-CE 3.41Å; L797-K1392 HydrophobicContact CD1-CG 3.95Å; V1345-K1392 PolarHBondContact O-NZ 2.86Å; L1383-K1392 WeakPolarHBondContact CA-O 3.12Å; T1384-K1392 PolarHBondContact N-O 2.97Å; T1384-K1392 PolarHBondContact O-N 2.82Å; T1384-K1392 PolarHBondContact OG1-O 3.33Å; V1390-K1392 HydrophobicContact CG1-CG 4.13Å; K1392-W1394 HydrophobicContact CB-CZ2 4.01Å; K1392-W1394 VanDerWaalsContact CB-NE1 3.35Å; K1392-W1394 HydrophobicContact CD-CH2 4.23Å; K1392-W1394 HydrophobicContact CD-CZ2 3.44Å; K1392-W1394 VanDerWaalsContact CD-CZ2 3.44Å; K1392-W1394 HydrophobicContact CG-CZ2 4.37Å |
| 1393 | R | 52.1 | Low | 44.4 | Very low | 71 Ų | 71 | 35.2 Ų | 35.2 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142.1 | 168.2 | 179.6 | -179.9 | 167.9 | 145 | 5.3 | 110.4 | Y858 L1382 L1383 D1395 | Y858-R1393 PolarHBondContact OH-NH1 3.3Å; L1382-R1393 CarbonylContact O-C 3.55Å; L1383-R1393 HydrophobicContact CD1-CB 4.04Å; L1383-R1393 HydrophobicContact CD1-CG 4.27Å; L1383-R1393 HydrophobicContact CG-CB 4.5Å; R1393-D1395 IonicContact CZ-OD1 3.49Å; R1393-D1395 IonicContact NE-OD1 2.78Å; R1393-D1395 PolarHBondContact NE-OD1 3.33Å; R1393-D1395 IonicContact NE-OD2 3.54Å; R1393-D1395 IonicContact NH2-OD1 2.71Å; R1393-D1395 PolarHBondContact NH2-OD1 3Å |
| 1394 | W | 47.9 | Very low | 43.3 | Very low | 24 Ų | 24 | 39 Ų | 39 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138 | -177.8 | -50.4 | 83.6 | 0 | 0 | 0 | 109.3 | Q795 V1345 L1382 T1384 K1392 | Q795-W1394 HydrophobicContact CG-CE3 4.28Å; Q795-W1394 HydrophobicContact CG-CH2 3.75Å; Q795-W1394 HydrophobicContact CG-CZ2 4.27Å; Q795-W1394 HydrophobicContact CG-CZ3 3.74Å; Q795-W1394 VanDerWaalsContact NE2-CH2 3.31Å; V1345-W1394 HydrophobicContact CB-CH2 4.47Å; V1345-W1394 HydrophobicContact CB-CZ2 3.82Å; V1345-W1394 VanDerWaalsContact CG1-CE2 3.5Å; V1345-W1394 HydrophobicContact CG1-CH2 4.41Å; V1345-W1394 HydrophobicContact CG1-CZ2 3.34Å; V1345-W1394 HydrophobicContact CG2-CH2 4.48Å; V1345-W1394 HydrophobicContact CG2-CZ2 4.03Å; L1382-W1394 HydrophobicContact CB-CB 4.21Å; L1382-W1394 HydrophobicContact CD2-CB 4.38Å; L1382-W1394 HydrophobicContact CD2-CG 4.41Å; L1382-W1394 PolarHBondContact N-O 3.26Å; L1382-W1394 PolarHBondContact O-N 3.13Å; L1382-W1394 VanDerWaalsContact O-O 3.14Å; T1384-W1394 PolarHBondContact OG1-NE1 3.25Å; K1392-W1394 HydrophobicContact CB-CZ2 4.01Å; K1392-W1394 VanDerWaalsContact CB-NE1 3.35Å; K1392-W1394 HydrophobicContact CD-CH2 4.23Å; K1392-W1394 HydrophobicContact CD-CZ2 3.44Å; K1392-W1394 VanDerWaalsContact CD-CZ2 3.44Å; K1392-W1394 HydrophobicContact CG-CZ2 4.37Å |
| 1395 | D | 44.7 | Very low | 42 | Very low | 84 Ų | 84 | 45 Ų | 45 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111.9 | 169.8 | -56.4 | -49.2 | 0 | 0 | 0 | 106.7 | R1393 | R1393-D1395 IonicContact CZ-OD1 3.49Å; R1393-D1395 IonicContact NE-OD1 2.78Å; R1393-D1395 PolarHBondContact NE-OD1 3.33Å; R1393-D1395 IonicContact NE-OD2 3.54Å; R1393-D1395 IonicContact NH2-OD1 2.71Å; R1393-D1395 PolarHBondContact NH2-OD1 3Å |
| 1396 | V | 38.3 | Very low | 40.5 | Very low | 22 Ų | 22 | 48.7 Ų | 48.7 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119 | -173.1 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | L1343 P1379 I1380 | L1343-V1396 HydrophobicContact CD1-CG2 3.83Å; P1379-V1396 WeakPolarHBondContact CA-O 3.29Å; P1379-V1396 WeakPolarHBondContact CB-O 3.48Å; I1380-V1396 PolarHBondContact N-O 3.25Å; I1380-V1396 PolarHBondContact O-N 3.46Å |
| 1397 | G | 38.2 | Very low | 39 | Very low | 30 Ų | 30 | 54.3 Ų | 54.3 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | trans | -73.1 | 141.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1399 | G1397-T1399 VanDerWaalsContact C-N 3.26Å; G1397-T1399 PolarHBondContact O-N 2.95Å; G1397-T1399 VanDerWaalsContact O-N 3.15Å | ||
| 1398 | A | 33.2 | Very low | 37.6 | Very low | 15 Ų | 15 | 57.1 Ų | 57.1 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -67.6 | -9.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C1400 L1401 | A1398-C1400 PolarHBondContact O-N 2.96Å; A1398-L1401 PolarHBondContact O-N 3.07Å |
| 1399 | T | 32.9 | Very low | 36.4 | Very low | 88 Ų | 88 | 59.6 Ų | 59.6 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -60.4 | -14 | 174.8 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | G1397 L1401 S2084 | G1397-T1399 VanDerWaalsContact C-N 3.26Å; G1397-T1399 PolarHBondContact O-N 2.95Å; G1397-T1399 VanDerWaalsContact O-N 3.15Å; T1399-L1401 VanDerWaalsContact C-N 3.34Å; T1399-S2084 VanDerWaalsContact CG2-CB 3.42Å; T1399-S2084 WeakPolarHBondContact CG2-OG 3.32Å |
| 1400 | C | 32.1 | Very low | 35.4 | Very low | 64 Ų | 64 | 66 Ų | 66 | 43% | 0.432 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -84.6 | -2.4 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | V1341 A1398 | V1341-C1400 HydrophobicContact CG2-CB 3.66Å; A1398-C1400 PolarHBondContact O-N 2.96Å |
| 1401 | L | 29.5 | Very low | 34.2 | Very low | 44 Ų | 44 | 67.7 Ų | 67.7 | 23% | 0.23 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -108 | 111.5 | -179.3 | -57.9 | 177.6 | 0 | 0 | 0 | 110.2 | L1340 I1380 A1398 T1399 T1403 | L1340-L1401 HydrophobicContact CB-CD2 3.79Å; L1340-L1401 HydrophobicContact CD1-CD2 3.3Å; L1340-L1401 HydrophobicContact CD2-CD2 3.6Å; L1340-L1401 HydrophobicContact CG-CD2 3.71Å; I1380-L1401 HydrophobicContact CD1-CD1 4.18Å; A1398-L1401 PolarHBondContact O-N 3.07Å; T1399-L1401 VanDerWaalsContact C-N 3.34Å; L1401-T1403 PolarHBondContact O-N 3.21Å |
| 1402 | P | 29.6 | Very low | 33.1 | Very low | 59 Ų | 59 | 73 Ų | 73 | 38% | 0.383 | 46% | 0.459 | S | S | . | . | trans | -66 | 132.4 | 176.1 | 23.1 | -29.4 | 0 | 0 | 0 | 111.2 | R1333 | R1333-P1402 PolarHBondContact NH1-O 3.49Å; R1333-P1402 VanDerWaalsContact NH1-O 3.09Å | ||
| 1403 | T | 31.4 | Very low | 31.8 | Very low | 60 Ų | 60 | 78.5 Ų | 78.5 | 37% | 0.368 | 49% | 0.494 | S | S | . | . | trans | -59.2 | 148.5 | -178.5 | 40.7 | 0 | 0 | 0 | 0 | 113.1 | L1401 T1405 T1406 | L1401-T1403 PolarHBondContact O-N 3.21Å; T1403-T1405 PolarHBondContact O-N 3.17Å; T1403-T1405 VanDerWaalsContact O-N 3.07Å; T1403-T1406 PolarHBondContact O-N 2.88Å; T1403-T1406 PolarHBondContact O-OG1 2.82Å; T1403-T1406 PolarHBondContact OG1-OG1 3.41Å | ||
| 1404 | P | 33.4 | Very low | 30.3 | Very low | 88 Ų | 88 | 85 Ų | 85 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.9 | -173.2 | -20.8 | 31.2 | 0 | 0 | 0 | 115.8 | ||
| 1405 | T | 28.4 | Very low | 29.1 | Very low | 124 Ų | 124 | 89.3 Ų | 89.3 | 76% | 0.761 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 5 | -173.5 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | T1403 P1407 | T1403-T1405 PolarHBondContact O-N 3.17Å; T1403-T1405 VanDerWaalsContact O-N 3.07Å; T1405-P1407 WeakPolarHBondContact O-CD 3.49Å |
| 1406 | T | 26.1 | Very low | 28.1 | Very low | 78 Ų | 78 | 95.3 Ų | 95.3 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | trans | -92 | 98.9 | 171.3 | 35.9 | 0 | 0 | 0 | 0 | 109.7 | T1403 T1408 | T1403-T1406 PolarHBondContact O-N 2.88Å; T1403-T1406 PolarHBondContact O-OG1 2.82Å; T1403-T1406 PolarHBondContact OG1-OG1 3.41Å; T1406-T1408 PolarHBondContact O-N 2.85Å | ||
| 1407 | P | 24.8 | Very low | 27.4 | Very low | 118 Ų | 118 | 99.4 Ų | 99.4 | 77% | 0.766 | 60% | 0.595 | S | S | * | * | trans | -68.8 | 107.4 | 174.7 | 28.7 | -33 | 0 | 0 | 0 | 108.4 | T1405 P1409 | T1405-P1407 WeakPolarHBondContact O-CD 3.49Å; P1407-P1409 WeakPolarHBondContact O-CD 3.33Å | ||
| 1408 | T | 24.8 | Very low | 26.7 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | trans | -66.6 | 116.2 | 167.4 | 42.8 | 0 | 0 | 0 | 0 | 108.2 | T1406 T1410 | T1406-T1408 PolarHBondContact O-N 2.85Å; T1408-T1410 PolarHBondContact O-N 3.46Å | ||
| 1409 | P | 22.5 | Very low | 26.2 | Very low | 123 Ų | 123 | 110.3 Ų | 110.3 | 80% | 0.799 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -81.5 | 84.8 | -172.4 | 32.8 | -32 | 0 | 0 | 0 | 110 | P1407 | P1407-P1409 WeakPolarHBondContact O-CD 3.33Š|
| 1410 | T | 24.5 | Very low | 25.7 | Very low | 134 Ų | 134 | 112 Ų | 112 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -133.2 | 82.1 | 155.8 | 53 | 0 | 0 | 0 | 0 | 107.4 | T1408 | T1408-T1410 PolarHBondContact O-N 3.46Š|
| 1411 | G | 24.3 | Very low | 25.3 | Very low | 57 Ų | 57 | 112.4 Ų | 112.4 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 144.8 | 136.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1413 | G1411-V1413 PolarHBondContact O-N 2.9Š|
| 1412 | P | 24.8 | Very low | 25 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 133.1 | -177.3 | 29.6 | -31.5 | 0 | 0 | 0 | 110.4 | W1414 | P1412-W1414 VanDerWaalsContact O-CD1 3.25Å; P1412-W1414 PolarHBondContact O-N 2.94Å | ||
| 1413 | V | 23.8 | Very low | 24.6 | Very low | 143 Ų | 143 | 121.1 Ų | 121.1 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -63.2 | 112.2 | -175.8 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | G1411 | G1411-V1413 PolarHBondContact O-N 2.9Š| ||
| 1414 | W | 21.4 | Very low | 24.2 | Very low | 209 Ų | 209 | 123.3 Ų | 123.3 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 133.4 | 169.9 | -75.9 | 71.6 | 0 | 0 | 0 | 110.4 | P1412 Y1416 | P1412-W1414 VanDerWaalsContact O-CD1 3.25Å; P1412-W1414 PolarHBondContact O-N 2.94Å; W1414-Y1416 PolarHBondContact O-N 3.07Å |
| 1415 | P | 22.7 | Very low | 23.7 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 121 | -174 | 30.9 | -31.1 | 0 | 0 | 0 | 110.8 | ||
| 1416 | Y | 23.8 | Very low | 23.3 | Very low | 210 Ų | 210 | 132.6 Ų | 132.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 126.4 | 170.7 | -81.6 | -88.7 | 0 | 0 | 0 | 110.9 | W1414 F1418 | W1414-Y1416 PolarHBondContact O-N 3.07Å; Y1416-F1418 PolarHBondContact O-N 2.92Å |
| 1417 | P | 24.1 | Very low | 23.1 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -90.5 | 92.3 | 175.5 | 33.9 | -27.8 | 0 | 0 | 0 | 109.4 | ||||
| 1418 | F | 23.5 | Very low | 22.9 | Very low | 205 Ų | 205 | 136.4 Ų | 136.4 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | -149.1 | 111.4 | 153.7 | -86.2 | -70.8 | 0 | 0 | 0 | 110.4 | Y1416 | Y1416-F1418 PolarHBondContact O-N 2.92Š| ||
| 1419 | G | 22.1 | Very low | 22.9 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 70 | 90.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1420 | S | 22.6 | Very low | 22.8 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 46.8 | 113.6 | 135.9 | 64.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1421 | G | 22.6 | Very low | 22.7 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 98.1 | 90.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1422 | L | 22.9 | Very low | 22.6 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | -167 | 129.5 | 129.4 | -96.9 | 154.4 | 0 | 0 | 0 | 108.8 | |||||
| 1423 | S | 22.8 | Very low | 22.5 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -61.3 | 134.7 | -163.7 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | Q1425 | S1423-Q1425 PolarHBondContact O-N 3.5Š| ||
| 1424 | S | 22.2 | Very low | 22.4 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -58.7 | 119.5 | 166.9 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1425 | Q | 22.5 | Very low | 22.4 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -118.5 | 104.8 | 147.4 | -84.2 | -167.9 | -10.8 | 0 | 0 | 108.8 | S1423 H1427 | S1423-Q1425 PolarHBondContact O-N 3.5Å; Q1425-H1427 PolarHBondContact O-N 2.98Å | ||
| 1426 | R | 20 | Very low | 22.4 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -70.4 | 113.6 | 173.4 | -73.9 | 174.4 | 172.7 | 170.8 | -2.8 | 109 | ||||
| 1427 | H | 21.8 | Very low | 22.2 | Very low | 179 Ų | 179 | 137 Ų | 137 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -113.1 | 97.4 | 153.2 | -81.5 | -63.4 | 0 | 0 | 0 | 108.8 | Q1425 | Q1425-H1427 PolarHBondContact O-N 2.98Š| ||
| 1428 | S | 21.9 | Very low | 22.1 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -69.3 | 127.3 | 163 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1429 | N | 23.1 | Very low | 22.1 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | 179.4 | 135.3 | 123.8 | -88.3 | -15.5 | 0 | 0 | 0 | 112.7 | |||||
| 1430 | S | 22.2 | Very low | 22.1 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 58.7 | 83.2 | 163.1 | 63.1 | 0 | 0 | 0 | 0 | 118.4 | N1432 | S1430-N1432 PolarHBondContact O-N 3.22Š| ||
| 1431 | S | 22 | Very low | 22.4 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 97 | 160.7 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | I1433 | S1431-I1433 PolarHBondContact O-N 2.99Š| ||
| 1432 | N | 22.7 | Very low | 22.6 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | -83 | 103.9 | 157.6 | -92.8 | -17.1 | 0 | 0 | 0 | 108 | S1430 Q1434 | S1430-N1432 PolarHBondContact O-N 3.22Å; N1432-Q1434 PolarHBondContact O-N 3.24Å | ||
| 1433 | I | 21.8 | Very low | 23 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 72% | 0.723 | 71% | 0.705 | S | S | * | * | trans | -59.9 | 102.5 | 175.2 | -63.6 | 162.9 | 0 | 0 | 0 | 108.3 | S1431 N1435 | S1431-I1433 PolarHBondContact O-N 2.99Å; I1433-N1435 WeakPolarHBondContact CG2-OD1 2.97Å; I1433-N1435 PolarHBondContact O-N 2.95Å | ||
| 1434 | Q | 22.3 | Very low | 23.4 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -85.8 | 99 | 162.6 | -83.4 | -176.8 | -16.6 | 0 | 0 | 107.5 | N1432 | N1432-Q1434 PolarHBondContact O-N 3.24Š| ||
| 1435 | N | 21.1 | Very low | 23.9 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 65% | 0.647 | 68% | 0.682 | S | S | * | * | trans | -57.5 | 136.4 | 163.8 | -72.7 | -22 | 0 | 0 | 0 | 108.3 | I1433 V1437 | I1433-N1435 WeakPolarHBondContact CG2-OD1 2.97Å; I1433-N1435 PolarHBondContact O-N 2.95Å; N1435-V1437 VanDerWaalsContact C-N 3.34Å; N1435-V1437 PolarHBondContact O-N 3.31Å | ||
| 1436 | P | 21.6 | Very low | 24.7 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 83% | 0.831 | 67% | 0.669 | S | S | * | * | trans | -63.7 | 98 | 176.2 | 25.6 | -31.8 | 0 | 0 | 0 | 108.6 | A1438 | P1436-A1438 PolarHBondContact O-N 3.23Š| ||
| 1437 | V | 21.3 | Very low | 25.7 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | trans | -69.3 | 117.6 | 174.2 | 177.5 | 0 | 0 | 0 | 0 | 106.9 | N1435 V1439 | N1435-V1437 VanDerWaalsContact C-N 3.34Å; N1435-V1437 PolarHBondContact O-N 3.31Å; V1437-V1439 PolarHBondContact O-N 2.85Å; V1437-V1439 VanDerWaalsContact O-N 3.1Å | ||
| 1438 | A | 21.1 | Very low | 26.6 | Very low | 71 Ų | 71 | 109.1 Ų | 109.1 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | trans | -51.3 | 115.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1436 H1440 | P1436-A1438 PolarHBondContact O-N 3.23Å; A1438-H1440 PolarHBondContact O-N 3.39Å; A1438-H1440 VanDerWaalsContact O-N 3.14Å | ||
| 1439 | V | 22.7 | Very low | 27.8 | Very low | 116 Ų | 116 | 105.8 Ų | 105.8 | 70% | 0.703 | 60% | 0.6 | S | S | * | * | trans | -76.7 | 99.3 | -175.4 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | V1437 N2131 | V1437-V1439 PolarHBondContact O-N 2.85Å; V1437-V1439 VanDerWaalsContact O-N 3.1Å; V1439-N2131 PolarHBondContact O-ND2 3.5Å | ||
| 1440 | H | 22.4 | Very low | 28.6 | Very low | 149 Ų | 149 | 103.4 Ų | 103.4 | 69% | 0.69 | 58% | 0.58 | S | S | * | * | trans | -86.1 | 141 | 173.7 | -73.6 | -69.9 | 0 | 0 | 0 | 112.3 | A1438 | A1438-H1440 PolarHBondContact O-N 3.39Å; A1438-H1440 VanDerWaalsContact O-N 3.14Å | ||
| 1441 | G | 28.4 | Very low | 29.4 | Very low | 50 Ų | 50 | 100.3 Ų | 100.3 | 52% | 0.515 | 55% | 0.552 | S | S | . | * | trans | -71.8 | 161.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | N2131 | G1441-N2131 WeakPolarHBondContact CA-O 3.36Š| ||
| 1442 | L | 27.9 | Very low | 30.1 | Very low | 46 Ų | 46 | 96.1 Ų | 96.1 | 24% | 0.241 | 53% | 0.526 | C | S | . | . | trans | -139.4 | 153.5 | -172.4 | -67.7 | 165.5 | 0 | 0 | 0 | 111.2 | R1464 T2132 | L1442-R1464 VanDerWaalsContact CD2-O 3.31Å; L1442-R1464 WeakPolarHBondContact CD2-O 3.35Å; L1442-T2132 HydrophobicContact CB-CG2 4.19Å; L1442-T2132 WeakPolarHBondContact O-CA 3.44Å | ||
| 1443 | W | 30.5 | Very low | 30.8 | Very low | 99 Ų | 99 | 93.3 Ų | 93.3 | 38% | 0.375 | 51% | 0.508 | S | S | . | . | trans | 90.9 | 136.5 | 177.6 | -52.3 | 85.2 | 0 | 0 | 0 | 117.9 | R1462 R1463 T1566 | W1443-R1462 VanDerWaalsContact CE3-C 3.41Å; W1443-R1462 VanDerWaalsContact CE3-O 3.29Å; W1443-R1463 HydrophobicContact CD2-CB 4.48Å; W1443-R1463 HydrophobicContact CE3-CB 4.46Å; W1443-R1463 HydrophobicContact CH2-CB 4.44Å; W1443-R1463 HydrophobicContact CZ2-CB 4.48Å; W1443-R1463 HydrophobicContact CZ3-CB 4.45Å; W1443-T1566 HydrophobicContact CH2-CG2 3.69Å; W1443-T1566 HydrophobicContact CZ2-CG2 4.45Å | ||
| 1444 | T | 32.2 | Very low | 31.4 | Very low | 74 Ų | 74 | 94.3 Ų | 94.3 | 45% | 0.454 | 51% | 0.509 | S | S | . | . | trans | -129.8 | -23.5 | -174.2 | 49.8 | 0 | 0 | 0 | 0 | 117.7 | R1462 | T1444-R1462 PolarHBondContact N-O 3.09Š| ||
| 1445 | Q | 33.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 87.8 Ų | 87.8 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 134.8 | 179.9 | -73.5 | -178.4 | -27 | 0 | 0 | 113.5 | F1447 G1461 R1462 | Q1445-F1447 HydrophobicContact CB-CE1 4.48Å; Q1445-G1461 CarbonylContact O-C 3.58Å; Q1445-G1461 WeakPolarHBondContact O-CA 3.43Å; Q1445-R1462 PolarHBondContact O-N 3.1Å |
| 1446 | V | 38.3 | Very low | 32.6 | Very low | 92 Ų | 92 | 84.9 Ų | 84.9 | 56% | 0.558 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.6 | 175 | 175.5 | 0 | 0 | 0 | 0 | 109.7 | V1459 | V1446-V1459 HydrophobicContact CG1-CG1 3.6Å; V1446-V1459 HydrophobicContact CG2-CG1 4.27Å |
| 1447 | F | 41.4 | Very low | 33.4 | Very low | 119 Ų | 119 | 81.2 Ų | 81.2 | 52% | 0.522 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -33.3 | -171.6 | -54.7 | -67 | 0 | 0 | 0 | 114.6 | Q1445 V1460 R1462 | Q1445-F1447 HydrophobicContact CB-CE1 4.48Å; F1447-V1460 PolarHBondContact N-O 2.81Å; F1447-R1462 HydrophobicContact CE2-CB 4.3Å; F1447-R1462 HydrophobicContact CZ-CB 4.28Å |
| 1448 | S | 40.7 | Very low | 34.4 | Very low | 32 Ų | 32 | 78.1 Ų | 78.1 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 158.4 | 179.8 | -167.9 | 0 | 0 | 0 | 0 | 112 | W1450 V1460 | S1448-W1450 PolarHBondContact OG-NE1 3.42Å; S1448-W1450 VanDerWaalsContact OG-NE1 3.1Å; S1448-V1460 PolarHBondContact O-N 3.34Å |
| 1449 | V | 46.2 | Very low | 35.3 | Very low | 28 Ų | 28 | 78.2 Ų | 78.2 | 17% | 0.17 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134.4 | 177.3 | -177 | 0 | 0 | 0 | 0 | 109.2 | L1457 L1458 V1459 L2018 | V1449-L1457 HydrophobicContact CG1-CD1 3.46Å; V1449-L1457 VanDerWaalsContact CG1-CD1 3.46Å; V1449-L1457 HydrophobicContact CG1-CG 4.25Å; V1449-L1458 WeakPolarHBondContact CA-O 3.25Å; V1449-V1459 HydrophobicContact CG2-CG2 4.48Å; V1449-L2018 HydrophobicContact CG2-CD1 4.15Å |
| 1450 | W | 39.9 | Very low | 36.2 | Very low | 99 Ų | 99 | 73.8 Ų | 73.8 | 38% | 0.375 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.5 | 179.7 | -70.2 | 76.8 | 0 | 0 | 0 | 111.2 | S1448 L1458 | S1448-W1450 PolarHBondContact OG-NE1 3.42Å; S1448-W1450 VanDerWaalsContact OG-NE1 3.1Å; W1450-L1458 PolarHBondContact N-O 2.77Å; W1450-L1458 VanDerWaalsContact N-O 3.14Å; W1450-L1458 PolarHBondContact O-N 3.03Å |
| 1451 | F | 38.9 | Very low | 37.1 | Very low | 47 Ų | 47 | 67.5 Ų | 67.5 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.7 | 166.1 | -73.2 | -80.6 | 0 | 0 | 0 | 109.7 | S1456 L1457 T2007 A2016 | F1451-S1456 CarbonylContact C-O 3.59Å; F1451-S1456 WeakPolarHBondContact CA-O 3.33Å; F1451-L1457 HydrophobicContact CD1-CD1 4.07Å; F1451-L1457 HydrophobicContact CE1-CD1 3.8Å; F1451-L1457 HydrophobicContact CE2-CD1 4.28Å; F1451-L1457 HydrophobicContact CG-CD1 4.43Å; F1451-L1457 HydrophobicContact CZ-CD1 3.91Å; F1451-T2007 HydrophobicContact CD2-CG2 4.4Å; F1451-T2007 HydrophobicContact CE2-CG2 4.41Å; F1451-A2016 HydrophobicContact CE2-CB 3.83Å; F1451-A2016 HydrophobicContact CZ-CB 4.3Å |
| 1452 | G | 37.8 | Very low | 37.4 | Very low | 21 Ų | 21 | 72.5 Ų | 72.5 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | trans | -78.6 | 170.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1454 G1455 S1456 | G1452-H1454 PolarHBondContact O-N 3.48Å; G1452-H1454 VanDerWaalsContact O-N 3.1Å; G1452-G1455 PolarHBondContact O-N 3.29Å; G1452-S1456 PolarHBondContact N-O 2.98Å | ||
| 1453 | E | 36.1 | Very low | 37.5 | Very low | 98 Ų | 98 | 76.5 Ų | 76.5 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.5 | -175.7 | -60.5 | -142.4 | 108.6 | 0 | 0 | 114.4 | K1584 | E1453-K1584 HydrophobicContact CG-CG 4.14Å; E1453-K1584 WeakPolarHBondContact OE1-CE 3.35Å; E1453-K1584 VanDerWaalsContact OE1-CG 3.23Å; E1453-K1584 WeakPolarHBondContact OE1-CG 3.43Å; E1453-K1584 IonicContact OE1-NZ 3.52Å |
| 1454 | H | 34.7 | Very low | 37.4 | Very low | 161 Ų | 161 | 80.1 Ų | 80.1 | 75% | 0.745 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 26.2 | -179.1 | -54.9 | -67 | 0 | 0 | 0 | 112.7 | G1452 S1456 | G1452-H1454 PolarHBondContact O-N 3.48Å; G1452-H1454 VanDerWaalsContact O-N 3.1Å; H1454-S1456 VanDerWaalsContact C-N 3.31Å; H1454-S1456 PolarHBondContact O-N 3.43Å |
| 1455 | G | 34.3 | Very low | 37.2 | Very low | 49 Ų | 49 | 84.1 Ų | 84.1 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 79.5 | 4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1452 L1457 | G1452-G1455 PolarHBondContact O-N 3.29Å; G1455-L1457 PolarHBondContact O-N 2.83Å |
| 1456 | S | 34.5 | Very low | 36.9 | Very low | 61 Ų | 61 | 82.6 Ų | 82.6 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | trans | -68.5 | 126.8 | 178.2 | 51.5 | 0 | 0 | 0 | 0 | 112 | F1451 G1452 H1454 | F1451-S1456 CarbonylContact C-O 3.59Å; F1451-S1456 WeakPolarHBondContact CA-O 3.33Å; G1452-S1456 PolarHBondContact N-O 2.98Å; H1454-S1456 VanDerWaalsContact C-N 3.31Å; H1454-S1456 PolarHBondContact O-N 3.43Å | ||
| 1457 | L | 39.7 | Very low | 36.3 | Very low | 51 Ų | 51 | 82.1 Ų | 82.1 | 27% | 0.267 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.2 | -178.1 | -172.1 | 72 | 0 | 0 | 0 | 111.1 | V1449 F1451 G1455 V1459 L2135 I2137 | V1449-L1457 HydrophobicContact CG1-CD1 3.46Å; V1449-L1457 VanDerWaalsContact CG1-CD1 3.46Å; V1449-L1457 HydrophobicContact CG1-CG 4.25Å; F1451-L1457 HydrophobicContact CD1-CD1 4.07Å; F1451-L1457 HydrophobicContact CE1-CD1 3.8Å; F1451-L1457 HydrophobicContact CE2-CD1 4.28Å; F1451-L1457 HydrophobicContact CG-CD1 4.43Å; F1451-L1457 HydrophobicContact CZ-CD1 3.91Å; G1455-L1457 PolarHBondContact O-N 2.83Å; L1457-V1459 HydrophobicContact CD2-CG2 4.48Å; L1457-V1459 HydrophobicContact CG-CG2 4.39Å; L1457-L2135 HydrophobicContact CD2-CD2 3.73Å; L1457-I2137 HydrophobicContact CD2-CD1 4.38Å |
| 1458 | L | 41.5 | Very low | 35.4 | Very low | 55 Ų | 55 | 81.9 Ų | 81.9 | 29% | 0.288 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.2 | 175.6 | -90.1 | 119.5 | 0 | 0 | 0 | 111.8 | V1449 W1450 F1582 | V1449-L1458 WeakPolarHBondContact CA-O 3.25Å; W1450-L1458 PolarHBondContact N-O 2.77Å; W1450-L1458 VanDerWaalsContact N-O 3.14Å; W1450-L1458 PolarHBondContact O-N 3.03Å; L1458-F1582 HydrophobicContact CD2-CE1 4.41Å; L1458-F1582 HydrophobicContact CD2-CZ 4.4Å |
| 1459 | V | 40.6 | Very low | 34.5 | Very low | 73 Ų | 73 | 88.4 Ų | 88.4 | 44% | 0.442 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.9 | -178.4 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | V1446 V1449 L1457 | V1446-V1459 HydrophobicContact CG1-CG1 3.6Å; V1446-V1459 HydrophobicContact CG2-CG1 4.27Å; V1449-V1459 HydrophobicContact CG2-CG2 4.48Å; L1457-V1459 HydrophobicContact CD2-CG2 4.48Å; L1457-V1459 HydrophobicContact CG-CG2 4.39Å |
| 1460 | V | 41.6 | Very low | 33.5 | Very low | 23 Ų | 23 | 96.5 Ų | 96.5 | 14% | 0.139 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.7 | -177.2 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | F1447 S1448 | F1447-V1460 PolarHBondContact N-O 2.81Å; S1448-V1460 PolarHBondContact O-N 3.34Å |
| 1461 | G | 40.3 | Very low | 32.5 | Very low | 18 Ų | 18 | 100.8 Ų | 100.8 | 19% | 0.186 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | -174.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1445 | Q1445-G1461 CarbonylContact O-C 3.58Å; Q1445-G1461 WeakPolarHBondContact O-CA 3.43Å |
| 1462 | R | 34.5 | Very low | 31.7 | Very low | 155 Ų | 155 | 102.9 Ų | 102.9 | 59% | 0.585 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.8 | -172.7 | -175.9 | -179.2 | 177.4 | -178.8 | 1.2 | 114.5 | W1443 T1444 Q1445 F1447 | W1443-R1462 VanDerWaalsContact CE3-C 3.41Å; W1443-R1462 VanDerWaalsContact CE3-O 3.29Å; T1444-R1462 PolarHBondContact N-O 3.09Å; Q1445-R1462 PolarHBondContact O-N 3.1Å; F1447-R1462 HydrophobicContact CE2-CB 4.3Å; F1447-R1462 HydrophobicContact CZ-CB 4.28Å |
| 1463 | R | 31.6 | Very low | 30.8 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 49% | 0.491 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -91.3 | 147.8 | 176.2 | -170.2 | 178.6 | 179.7 | 179.3 | 2.2 | 112.8 | W1443 | W1443-R1463 HydrophobicContact CD2-CB 4.48Å; W1443-R1463 HydrophobicContact CE3-CB 4.46Å; W1443-R1463 HydrophobicContact CH2-CB 4.44Å; W1443-R1463 HydrophobicContact CZ2-CB 4.48Å; W1443-R1463 HydrophobicContact CZ3-CB 4.45Å |
| 1464 | R | 28.3 | Very low | 30.4 | Very low | 174 Ų | 174 | 111.5 Ų | 111.5 | 66% | 0.657 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 131.4 | 172.6 | -137.2 | 179.6 | -172.9 | 167.3 | 0.2 | 109.7 | L1442 | L1442-R1464 VanDerWaalsContact CD2-O 3.31Å; L1442-R1464 WeakPolarHBondContact CD2-O 3.35Å |
| 1465 | H | 28.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 111.5 Ų | 111.5 | 73% | 0.731 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 119 | 170 | -75.9 | -51.6 | 0 | 0 | 0 | 109.2 | ||
| 1466 | S | 25.7 | Very low | 29.4 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 127.7 | 171.3 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | D1468 | S1466-D1468 PolarHBondContact O-N 3.41Š|
| 1467 | S | 25.9 | Very low | 29 | Very low | 81 Ų | 81 | 121.1 Ų | 121.1 | 57% | 0.566 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -82.1 | 14.7 | -157.2 | 41 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1468 | D | 23.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -99.5 | 5.3 | -167.5 | -72.6 | -30.2 | 0 | 0 | 0 | 117.4 | S1466 | S1466-D1468 PolarHBondContact O-N 3.41Š|
| 1469 | L | 21.9 | Very low | 27.6 | Very low | 169 Ų | 169 | 123.5 Ų | 123.5 | 89% | 0.885 | 64% | 0.635 | S | S | * | * | trans | -143.5 | 80.5 | 174.5 | -82.1 | 165.2 | 0 | 0 | 0 | 112.6 | ||||
| 1470 | Q | 24.4 | Very low | 26.9 | Very low | 198 Ų | 198 | 122.4 Ų | 122.4 | 93% | 0.925 | 63% | 0.629 | S | S | * | * | trans | -131.7 | 85.7 | 159.6 | -91.8 | -173.7 | -5.2 | 0 | 0 | 110.1 | A1472 | Q1470-A1472 PolarHBondContact O-N 3.46Š| ||
| 1471 | M | 19.5 | Very low | 26.4 | Very low | 188 Ų | 188 | 123.7 Ų | 123.7 | 93% | 0.926 | 63% | 0.632 | S | S | * | * | trans | -75.4 | 115 | 154.4 | -77.3 | -159.4 | 83.2 | 0 | 0 | 108.8 | ||||
| 1472 | A | 20.9 | Very low | 25.8 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 76% | 0.76 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 28.7 | 91.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | Q1470 | Q1470-A1472 PolarHBondContact O-N 3.46Š|
| 1473 | M | 20.7 | Very low | 25.5 | Very low | 186 Ų | 186 | 122.7 Ų | 122.7 | 92% | 0.916 | 63% | 0.629 | S | S | * | * | trans | -162.5 | 117.7 | 143.4 | -96.5 | -60.9 | 176.1 | 0 | 0 | 109.3 | ||||
| 1474 | P | 26.7 | Very low | 25.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 74% | 0.74 | 63% | 0.626 | S | S | * | * | trans | -98.1 | 122.3 | 179.4 | 33.7 | -26.2 | 0 | 0 | 0 | 112.2 | ||||
| 1475 | L | 23.9 | Very low | 25.2 | Very low | 161 Ų | 161 | 117 Ų | 117 | 84% | 0.843 | 62% | 0.617 | S | S | * | * | trans | 170.1 | 120 | 143 | -92.8 | 155.7 | 0 | 0 | 0 | 109.7 | ||||
| 1476 | N | 25.2 | Very low | 25.1 | Very low | 157 Ų | 157 | 115.8 Ų | 115.8 | 84% | 0.84 | 61% | 0.609 | S | S | * | * | trans | -74.9 | 110.1 | -170.5 | -75.3 | -29.8 | 0 | 0 | 0 | 113.8 | ||||
| 1477 | F | 24.3 | Very low | 25.1 | Very low | 155 Ų | 155 | 119.4 Ų | 119.4 | 68% | 0.68 | 62% | 0.616 | S | S | * | * | trans | -144.1 | 105.5 | 158 | -66.8 | -73 | 0 | 0 | 0 | 109.3 | T1479 | F1477-T1479 PolarHBondContact O-N 3.19Š| ||
| 1478 | Q | 27.1 | Very low | 25.1 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 58% | 0.579 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -75 | 124.8 | -174.1 | -77.9 | -178.3 | -16.3 | 0 | 0 | 112.2 | P1509 | Q1478-P1509 WeakPolarHBondContact O-CG 3.29Š|
| 1479 | T | 24.8 | Very low | 25.2 | Very low | 31 Ų | 31 | 121.1 Ų | 121.1 | 19% | 0.19 | 63% | 0.626 | C | S | . | * | P | Polyproline II helix | trans | -77.7 | 140.7 | -176.4 | 30.9 | 0 | 0 | 0 | 0 | 113.5 | F1477 F1481 I1507 R1508 | F1477-T1479 PolarHBondContact O-N 3.19Å; T1479-F1481 WeakPolarHBondContact O-CD2 3.06Å; T1479-F1481 WeakPolarHBondContact O-CE2 2.85Å; T1479-F1481 WeakPolarHBondContact OG1-CE2 3.1Å; T1479-F1481 WeakPolarHBondContact OG1-CZ 3.27Å; T1479-I1507 WeakPolarHBondContact CG2-O 3.12Å; T1479-R1508 HydrophobicContact CG2-CB 4.29Å; T1479-R1508 HydrophobicContact CG2-CG 3.88Å |
| 1480 | V | 27.6 | Very low | 25.3 | Very low | 51 Ų | 51 | 120.1 Ų | 120.1 | 31% | 0.309 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.3 | 163.1 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | ||
| 1481 | F | 29.5 | Very low | 25.3 | Very low | 50 Ų | 50 | 118.7 Ų | 118.7 | 22% | 0.219 | 62% | 0.62 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.5 | -179.6 | -63 | -88.4 | 0 | 0 | 0 | 110.4 | T1479 T1506 | T1479-F1481 WeakPolarHBondContact O-CD2 3.06Å; T1479-F1481 WeakPolarHBondContact O-CE2 2.85Å; T1479-F1481 WeakPolarHBondContact OG1-CE2 3.1Å; T1479-F1481 WeakPolarHBondContact OG1-CZ 3.27Å; F1481-T1506 HydrophobicContact CD1-CG2 4.03Å; F1481-T1506 HydrophobicContact CE1-CG2 3.54Å |
| 1482 | L | 29.2 | Very low | 25.6 | Very low | 38 Ų | 38 | 112.8 Ų | 112.8 | 20% | 0.199 | 61% | 0.608 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.5 | 176.5 | -78.1 | 158.1 | 0 | 0 | 0 | 108.3 | L1610 | L1482-L1610 HydrophobicContact CD1-CD2 4.16Å; L1482-L1610 HydrophobicContact CD2-CD2 3.69Å |
| 1483 | F | 28.2 | Very low | 25.8 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 50% | 0.496 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 135.3 | -178.4 | -67 | -85.7 | 0 | 0 | 0 | 111 | ||
| 1484 | R | 26 | Very low | 26.1 | Very low | 113 Ų | 113 | 113.6 Ų | 113.6 | 43% | 0.426 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.7 | 175.5 | 176.2 | 176.8 | 176.2 | 167.4 | 2.1 | 110.8 | ||
| 1485 | P | 26.8 | Very low | 26.1 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 47% | 0.474 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.6 | 163.1 | 28.5 | -29.9 | 0 | 0 | 0 | 110.4 | ||
| 1486 | K | 26 | Very low | 26.1 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110 | 120.2 | 175.7 | -146.3 | -179.6 | -174.9 | -176.8 | 0 | 109.5 | L1488 | K1486-L1488 PolarHBondContact O-N 2.52Å |
| 1487 | Q | 26.6 | Very low | 26 | Very low | 168 Ų | 168 | 117 Ų | 117 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | trans | -81.3 | 109.5 | 179 | -159.2 | 175 | 9.8 | 0 | 0 | 108 | S1489 | Q1487-S1489 PolarHBondContact O-N 2.88Š| ||
| 1488 | L | 24.5 | Very low | 26 | Very low | 133 Ų | 133 | 115 Ų | 115 | 70% | 0.696 | 61% | 0.611 | S | S | * | * | trans | -79.8 | 98.2 | 171 | -94.8 | 131 | 0 | 0 | 0 | 108 | K1486 N1490 | K1486-L1488 PolarHBondContact O-N 2.52Å; L1488-N1490 VanDerWaalsContact C-N 3.34Å; L1488-N1490 PolarHBondContact O-N 3.06Å | ||
| 1489 | S | 24.8 | Very low | 25.9 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 69% | 0.692 | 62% | 0.623 | S | S | * | * | trans | -70.8 | 90.6 | 168.1 | 57.7 | 0 | 0 | 0 | 0 | 108.6 | Q1487 N1491 | Q1487-S1489 PolarHBondContact O-N 2.88Å; S1489-N1491 PolarHBondContact O-N 3.22Å | ||
| 1490 | N | 25 | Very low | 25.8 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | trans | -72.5 | 107.5 | 163 | -95.8 | -7.2 | 0 | 0 | 0 | 107.5 | L1488 G1492 | L1488-N1490 VanDerWaalsContact C-N 3.34Å; L1488-N1490 PolarHBondContact O-N 3.06Å; N1490-G1492 PolarHBondContact O-N 3.23Å | ||
| 1491 | N | 24.6 | Very low | 25.7 | Very low | 167 Ų | 167 | 119.1 Ų | 119.1 | 89% | 0.893 | 65% | 0.65 | S | S | * | * | trans | -60.9 | 99.5 | 170.8 | -83.5 | -14 | 0 | 0 | 0 | 108.8 | S1489 | S1489-N1491 PolarHBondContact O-N 3.22Š| ||
| 1492 | G | 25.4 | Very low | 25.6 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | trans | 173.7 | 91.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1490 | N1490-G1492 PolarHBondContact O-N 3.23Š| ||
| 1493 | N | 25.8 | Very low | 25.4 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | 35.8 | 110.3 | 158 | -71.3 | -10.6 | 0 | 0 | 0 | 118.9 | ||||
| 1494 | N | 26 | Very low | 25.3 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 37 | 85.4 | 140.6 | -62.3 | -6.6 | 0 | 0 | 0 | 116 | ||
| 1495 | N | 26.1 | Very low | 25.3 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 86% | 0.861 | 70% | 0.701 | S | S | * | * | -179.4 | 109.9 | 130 | -83.2 | -16.5 | 0 | 0 | 0 | 107.6 | E1497 | N1495-E1497 PolarHBondContact O-N 3.41Š| |||
| 1496 | N | 24.9 | Very low | 25.3 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | trans | -79.9 | 80.9 | -165.4 | -70.4 | -26.4 | 0 | 0 | 0 | 112.3 | ||||
| 1497 | E | 23.8 | Very low | 25.2 | Very low | 185 Ų | 185 | 127 Ų | 127 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -106.9 | 96.7 | 159.1 | -75.5 | -172 | 170.4 | 0 | 0 | 109.5 | N1495 T1499 | N1495-E1497 PolarHBondContact O-N 3.41Å; E1497-T1499 PolarHBondContact O-N 3.12Å | ||
| 1498 | T | 24.6 | Very low | 25.1 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | trans | -82.5 | 108.2 | -174.7 | 48.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1499 | T | 23.6 | Very low | 25.3 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | trans | -97.7 | 122.5 | 170.4 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | E1497 | E1497-T1499 PolarHBondContact O-N 3.12Š| ||
| 1500 | C | 23.8 | Very low | 25.3 | Very low | 84 Ų | 84 | 123 Ų | 123 | 57% | 0.568 | 67% | 0.668 | S | S | * | * | trans | -94.3 | 125.7 | 178.8 | -72.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1501 | S | 24.6 | Very low | 25.3 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 49% | 0.49 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.8 | 167 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1502 | F | 27.5 | Very low | 25.4 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 66% | 0.658 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 140 | -170.8 | -67.8 | -89.2 | 0 | 0 | 0 | 111.6 | ||
| 1503 | Q | 24.8 | Very low | 25.3 | Very low | 145 Ų | 145 | 121.3 Ų | 121.3 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -134.4 | 134.5 | 165 | -163.7 | 177.5 | 14.6 | 0 | 0 | 110.9 | ||
| 1504 | E | 26.4 | Very low | 25.2 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 60% | 0.603 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.4 | 136.2 | -177.7 | -177 | -176.8 | 172.3 | 0 | 0 | 113 | ||
| 1505 | I | 25.4 | Very low | 25.1 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 48% | 0.482 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.6 | 165 | -57.8 | 177 | 0 | 0 | 0 | 109.5 | I1507 | I1505-I1507 HydrophobicContact CG2-CG1 4.45Å |
| 1506 | T | 26.5 | Very low | 24.9 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 45% | 0.448 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 119 | 179.2 | 12 | 0 | 0 | 0 | 0 | 110 | F1481 | F1481-T1506 HydrophobicContact CD1-CG2 4.03Å; F1481-T1506 HydrophobicContact CE1-CG2 3.54Å |
| 1507 | I | 25.1 | Very low | 25 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 47% | 0.472 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 101 | 174.1 | -56.5 | 177.2 | 0 | 0 | 0 | 109.5 | T1479 I1505 | T1479-I1507 WeakPolarHBondContact CG2-O 3.12Å; I1505-I1507 HydrophobicContact CG2-CG1 4.45Å |
| 1508 | R | 24.2 | Very low | 24.9 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | trans | -69.8 | 126.9 | 175.9 | -67.9 | -175.8 | -178.8 | 179.3 | 0.8 | 110 | T1479 S1510 Q1511 | T1479-R1508 HydrophobicContact CG2-CB 4.29Å; T1479-R1508 HydrophobicContact CG2-CG 3.88Å; R1508-S1510 PolarHBondContact O-N 3.15Å; R1508-Q1511 PolarHBondContact O-N 2.59Å | ||
| 1509 | P | 28.5 | Very low | 24.8 | Very low | 69 Ų | 69 | 120 Ų | 120 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -61.3 | -6.9 | 176.4 | -19.6 | 30.5 | 0 | 0 | 0 | 114.2 | Q1478 Q1511 | Q1478-P1509 WeakPolarHBondContact O-CG 3.29Å; P1509-Q1511 VanDerWaalsContact C-N 3.33Å; P1509-Q1511 PolarHBondContact O-N 2.72Å |
| 1510 | S | 25.6 | Very low | 24.7 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 48% | 0.483 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -81.5 | 1.7 | -179.1 | 63.5 | 0 | 0 | 0 | 0 | 115.3 | R1508 S1512 | R1508-S1510 PolarHBondContact O-N 3.15Å; S1510-S1512 VanDerWaalsContact C-N 3.33Å |
| 1511 | Q | 23.3 | Very low | 24.6 | Very low | 149 Ų | 149 | 124.7 Ų | 124.7 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -90.9 | 16.5 | 171.5 | -83.4 | -170 | -18.7 | 0 | 0 | 114.3 | R1508 P1509 S1513 Y1514 | R1508-Q1511 PolarHBondContact O-N 2.59Å; P1509-Q1511 VanDerWaalsContact C-N 3.33Å; P1509-Q1511 PolarHBondContact O-N 2.72Å; Q1511-S1513 PolarHBondContact O-N 2.78Å; Q1511-Y1514 PolarHBondContact O-N 3Å |
| 1512 | S | 27.1 | Very low | 24.4 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -69.9 | -2.7 | 165.6 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | S1510 | S1510-S1512 VanDerWaalsContact C-N 3.33Š|
| 1513 | S | 23.9 | Very low | 24.1 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -79.7 | -14.8 | 174.1 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | Q1511 W1515 | Q1511-S1513 PolarHBondContact O-N 2.78Å; S1513-W1515 PolarHBondContact O-N 3.22Å; S1513-W1515 VanDerWaalsContact O-N 3.14Å |
| 1514 | Y | 23.3 | Very low | 23.8 | Very low | 198 Ų | 198 | 129 Ų | 129 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -83.9 | 73.6 | 155.3 | -82.2 | -80.2 | 0 | 0 | 0 | 107.9 | Q1511 | Q1511-Y1514 PolarHBondContact O-N 3Š|
| 1515 | W | 23.2 | Very low | 23.5 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | trans | -173.9 | 72.8 | 140.5 | -107.5 | 77.5 | 0 | 0 | 0 | 105.6 | S1513 P1517 | S1513-W1515 PolarHBondContact O-N 3.22Å; S1513-W1515 VanDerWaalsContact O-N 3.14Å; W1515-P1517 VanDerWaalsContact O-CD 3.31Å; W1515-P1517 WeakPolarHBondContact O-CD 3.14Å | ||
| 1516 | N | 22.5 | Very low | 23.4 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 60% | 0.604 | 67% | 0.674 | S | S | * | * | trans | -69.9 | 110.2 | 158.4 | -171.9 | -0.1 | 0 | 0 | 0 | 106 | Q1518 V1519 | N1516-Q1518 PolarHBondContact O-N 2.62Å; N1516-V1519 PolarHBondContact O-N 3.29Å | ||
| 1517 | P | 26.7 | Very low | 23.1 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 16.6 | -170.9 | 31.5 | -34.8 | 0 | 0 | 0 | 113.2 | W1515 | W1515-P1517 VanDerWaalsContact O-CD 3.31Å; W1515-P1517 WeakPolarHBondContact O-CD 3.14Å |
| 1518 | Q | 22.8 | Very low | 22.9 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 3.3 | -179.3 | -68.8 | -154.9 | -14.7 | 0 | 0 | 115.2 | N1516 Q1520 | N1516-Q1518 PolarHBondContact O-N 2.62Å; Q1518-Q1520 PolarHBondContact O-N 2.83Å |
| 1519 | V | 22.1 | Very low | 22.8 | Very low | 102 Ų | 102 | 133 Ų | 133 | 62% | 0.618 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -75.3 | 96.6 | 155.8 | -175.8 | 0 | 0 | 0 | 0 | 105.2 | N1516 H1521 | N1516-V1519 PolarHBondContact O-N 3.29Å; V1519-H1521 PolarHBondContact O-CD2 3.49Å; V1519-H1521 PolarHBondContact O-N 3.29Å |
| 1520 | Q | 21.2 | Very low | 22.5 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -45.9 | 95.4 | 161.8 | -73.1 | 177.5 | -15.7 | 0 | 0 | 106.1 | Q1518 K1522 | Q1518-Q1520 PolarHBondContact O-N 2.83Å; Q1520-K1522 PolarHBondContact O-N 2.98Å | ||
| 1521 | H | 21.2 | Very low | 22.3 | Very low | 138 Ų | 138 | 140 Ų | 140 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | -61.8 | 99 | 167.9 | -87.1 | -85.9 | 0 | 0 | 0 | 103.3 | V1519 C1523 | V1519-H1521 PolarHBondContact O-CD2 3.49Å; V1519-H1521 PolarHBondContact O-N 3.29Å; H1521-C1523 PolarHBondContact O-N 3.41Å | ||
| 1522 | K | 20.7 | Very low | 22.2 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -37 | 106.2 | 152 | -88.5 | 179 | 169.9 | 179.8 | 0 | 103.9 | Q1520 I1524 | Q1520-K1522 PolarHBondContact O-N 2.98Å; K1522-I1524 VanDerWaalsContact C-N 3.25Å; K1522-I1524 PolarHBondContact O-N 3.41Å | ||
| 1523 | C | 20.6 | Very low | 21.9 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -48.1 | 109.4 | 162.9 | -91.6 | 0 | 0 | 0 | 0 | 103.6 | H1521 E1525 | H1521-C1523 PolarHBondContact O-N 3.41Å; C1523-E1525 HydrophobicContact CB-CG 4.15Å; C1523-E1525 PolarHBondContact O-N 3.09Å | ||
| 1524 | I | 20 | Very low | 21.8 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -69.4 | 87 | 153.9 | -61.6 | 174.2 | 0 | 0 | 0 | 100.6 | K1522 V1526 | K1522-I1524 VanDerWaalsContact C-N 3.25Å; K1522-I1524 PolarHBondContact O-N 3.41Å; I1524-V1526 HydrophobicContact CG2-CG2 4.38Å; I1524-V1526 PolarHBondContact O-N 2.78Å | ||
| 1525 | E | 20.6 | Very low | 21.7 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | -53.8 | 94.3 | 159.2 | -74.3 | 177.4 | 158.7 | 0 | 0 | 103.4 | C1523 D1527 | C1523-E1525 HydrophobicContact CB-CG 4.15Å; C1523-E1525 PolarHBondContact O-N 3.09Å; E1525-D1527 PolarHBondContact O-N 2.96Å | ||
| 1526 | V | 22 | Very low | 21.5 | Very low | 128 Ų | 128 | 137 Ų | 137 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -63.7 | 100.8 | 158.5 | 175.5 | 0 | 0 | 0 | 0 | 101.9 | I1524 S1528 | I1524-V1526 HydrophobicContact CG2-CG2 4.38Å; I1524-V1526 PolarHBondContact O-N 2.78Å; V1526-S1528 PolarHBondContact O-N 3.48Å | ||
| 1527 | D | 20.9 | Very low | 21.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -38.6 | 113.4 | -177.7 | -76 | -42.8 | 0 | 0 | 0 | 107.9 | E1525 C1529 | E1525-D1527 PolarHBondContact O-N 2.96Å; D1527-C1529 PolarHBondContact O-N 3.21Å | ||
| 1528 | S | 21.2 | Very low | 21.1 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -45.5 | 108.3 | 171.5 | 46.2 | 0 | 0 | 0 | 0 | 106.7 | V1526 E1530 | V1526-S1528 PolarHBondContact O-N 3.48Å; S1528-E1530 PolarHBondContact O-N 3.38Å | ||
| 1529 | C | 21.1 | Very low | 21.1 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -45.4 | 111.5 | 176.8 | -74.9 | 0 | 0 | 0 | 0 | 107.3 | D1527 S1531 | D1527-C1529 PolarHBondContact O-N 3.21Å; C1529-S1531 PolarHBondContact O-N 3.43Å; C1529-S1531 VanDerWaalsContact O-N 3.1Å | ||
| 1530 | E | 21.6 | Very low | 21.1 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -53 | 121.3 | -169.1 | -63.2 | 176.5 | 131.8 | 0 | 0 | 108.3 | S1528 I1532 | S1528-E1530 PolarHBondContact O-N 3.38Å; E1530-I1532 HydrophobicContact CB-CD1 3.7Å; E1530-I1532 HydrophobicContact CB-CG1 3.76Å; E1530-I1532 HydrophobicContact CG-CD1 4.48Å; E1530-I1532 PolarHBondContact O-N 3.25Å; E1530-I1532 WeakPolarHBondContact OE2-CD1 3.31Å | ||
| 1531 | S | 22.1 | Very low | 21.1 | Very low | 124 Ų | 124 | 138 Ų | 138 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -61.8 | 81.2 | 165.4 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | C1529 | C1529-S1531 PolarHBondContact O-N 3.43Å; C1529-S1531 VanDerWaalsContact O-N 3.1Å | ||
| 1532 | I | 21.4 | Very low | 21.1 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | -108.7 | 108.6 | 176 | -64.9 | 171.7 | 0 | 0 | 0 | 108.4 | E1530 | E1530-I1532 HydrophobicContact CB-CD1 3.7Å; E1530-I1532 HydrophobicContact CB-CG1 3.76Å; E1530-I1532 HydrophobicContact CG-CD1 4.48Å; E1530-I1532 PolarHBondContact O-N 3.25Å; E1530-I1532 WeakPolarHBondContact OE2-CD1 3.31Å | ||
| 1533 | G | 21.9 | Very low | 21.3 | Very low | 60 Ų | 60 | 137.4 Ų | 137.4 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | trans | 104.8 | 72.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q1535 | G1533-Q1535 VanDerWaalsContact C-N 3.28Å; G1533-Q1535 PolarHBondContact O-N 2.83Å | ||
| 1534 | H | 20.6 | Very low | 21.4 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | trans | -52.7 | 98.6 | 137.6 | -85.1 | -70.6 | 0 | 0 | 0 | 109.3 | ||||
| 1535 | Q | 21.1 | Very low | 21.5 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -141.2 | 96.3 | 153.6 | -74.4 | -164.1 | -10 | 0 | 0 | 110 | G1533 | G1533-Q1535 VanDerWaalsContact C-N 3.28Å; G1533-Q1535 PolarHBondContact O-N 2.83Å | ||
| 1536 | S | 19.7 | Very low | 21.5 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -40.3 | 129.8 | 147.4 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1537 | H | 20.9 | Very low | 21.6 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 175.9 | 112.9 | 127.2 | -94.2 | -63.2 | 0 | 0 | 0 | 112.2 | |||||
| 1538 | K | 20.5 | Very low | 21.6 | Very low | 177 Ų | 177 | 139 Ų | 139 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 44.6 | 141.3 | 131 | -72.5 | -174.9 | 173.7 | -179.8 | 0 | 121.3 | ||||
| 1539 | N | 21.6 | Very low | 21.7 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 94.9 | 127.7 | 164.1 | -52.7 | -18.9 | 0 | 0 | 0 | 112.6 | ||||
| 1540 | S | 22.1 | Very low | 21.7 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | cis | -175.3 | 154.9 | 13 | 37.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1541 | S | 22.2 | Very low | 21.8 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 58.9 | 103.5 | 155.4 | 56.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1542 | E | 21.2 | Very low | 21.8 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 50.9 | 99.5 | 86.7 | -73.9 | -174 | 169.1 | 0 | 0 | 113.8 | |||||
| 1543 | N | 23 | Very low | 21.8 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 171.5 | 122.9 | 113.4 | -87.1 | -33.8 | 0 | 0 | 0 | 112.2 | H1545 | N1543-H1545 PolarHBondContact O-N 2.74Š| |||
| 1544 | N | 22.9 | Very low | 21.8 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 6.9 | 104.5 | 149.6 | -62.9 | -23.8 | 0 | 0 | 0 | 117.7 | ||||
| 1545 | H | 23.4 | Very low | 21.8 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | -143.7 | 123.8 | 142.7 | -84.1 | -57.8 | 0 | 0 | 0 | 109.6 | N1543 | N1543-H1545 PolarHBondContact O-N 2.74Š| ||
| 1546 | Q | 20.9 | Very low | 21.8 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -53.7 | 131 | 176.1 | -75.2 | 167.3 | -41.7 | 0 | 0 | 110.3 | G1548 | Q1546-G1548 PolarHBondContact O-N 2.87Å; Q1546-G1548 VanDerWaalsContact O-N 3.15Å | ||
| 1547 | P | 23.6 | Very low | 22 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 108.8 | -179.4 | 29.1 | -30.1 | 0 | 0 | 0 | 109 | S1549 | P1547-S1549 PolarHBondContact O-N 2.8Š| ||
| 1548 | G | 21.5 | Very low | 22 | Very low | 64 Ų | 64 | 139.6 Ų | 139.6 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | -57.1 | 119.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q1546 S1550 | Q1546-G1548 PolarHBondContact O-N 2.87Å; Q1546-G1548 VanDerWaalsContact O-N 3.15Å; G1548-S1550 PolarHBondContact O-N 2.82Å | ||
| 1549 | S | 22.4 | Very low | 22.2 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 16.4 | 79.9 | 143.2 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | P1547 I1551 | P1547-S1549 PolarHBondContact O-N 2.8Å; S1549-I1551 PolarHBondContact O-N 3.24Å; S1549-I1551 VanDerWaalsContact O-N 3.13Å | ||
| 1550 | S | 21.4 | Very low | 22.5 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -66.2 | 110.5 | 158.6 | 51 | 0 | 0 | 0 | 0 | 107 | G1548 E1552 | G1548-S1550 PolarHBondContact O-N 2.82Å; S1550-E1552 VanDerWaalsContact C-N 3.27Å; S1550-E1552 PolarHBondContact O-N 3.1Å | ||
| 1551 | I | 23 | Very low | 22.7 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -44.5 | 92.4 | 167.3 | -64.2 | 157.3 | 0 | 0 | 0 | 107.8 | S1549 S1553 | S1549-I1551 PolarHBondContact O-N 3.24Å; S1549-I1551 VanDerWaalsContact O-N 3.13Å; I1551-S1553 PolarHBondContact O-N 3.31Å | ||
| 1552 | E | 21.6 | Very low | 23.2 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -63.3 | 96.3 | 158.6 | -83.6 | -175.1 | 164.5 | 0 | 0 | 104.4 | S1550 S1554 | S1550-E1552 VanDerWaalsContact C-N 3.27Å; S1550-E1552 PolarHBondContact O-N 3.1Å; E1552-S1554 PolarHBondContact O-N 3.05Å | ||
| 1553 | S | 22.1 | Very low | 23.6 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | trans | -56.1 | 87.3 | 162.5 | 51.9 | 0 | 0 | 0 | 0 | 106.7 | I1551 K1555 | I1551-S1553 PolarHBondContact O-N 3.31Å; S1553-K1555 PolarHBondContact O-N 2.67Å | ||
| 1554 | S | 21.6 | Very low | 24.2 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | -60.1 | 84.2 | 169.5 | 60.2 | 0 | 0 | 0 | 0 | 106 | E1552 K1556 | E1552-S1554 PolarHBondContact O-N 3.05Å; S1554-K1556 PolarHBondContact O-N 3.38Å | ||
| 1555 | K | 21.8 | Very low | 24.7 | Very low | 192 Ų | 192 | 128.4 Ų | 128.4 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | trans | -61.9 | 83.1 | 156.5 | -77.3 | -175.1 | 177.7 | -179.9 | 0 | 104.5 | S1553 P1557 | S1553-K1555 PolarHBondContact O-N 2.67Å; K1555-P1557 VanDerWaalsContact O-N 3.15Å | ||
| 1556 | K | 21.1 | Very low | 25.2 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 71% | 0.713 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 121.5 | 165.3 | -73.4 | -176.7 | 174.5 | -174.7 | 0 | 105.2 | S1554 L1558 | S1554-K1556 PolarHBondContact O-N 3.38Å; K1556-L1558 PolarHBondContact O-N 3.35Å |
| 1557 | P | 23 | Very low | 25.9 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 119.2 | 177.6 | 22.9 | -30.3 | 0 | 0 | 0 | 107 | K1555 | K1555-P1557 VanDerWaalsContact O-N 3.15Š|
| 1558 | L | 21.5 | Very low | 26.5 | Very low | 155 Ų | 155 | 109.8 Ų | 109.8 | 81% | 0.812 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.9 | 176.8 | -80.6 | 149 | 0 | 0 | 0 | 107.9 | K1556 F1560 | K1556-L1558 PolarHBondContact O-N 3.35Å; L1558-F1560 PolarHBondContact O-N 3.02Å |
| 1559 | P | 24.9 | Very low | 27 | Very low | 77 Ų | 77 | 109.9 Ų | 109.9 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 130.5 | -174.3 | 19.5 | -31.1 | 0 | 0 | 0 | 112.2 | K1561 | P1559-K1561 PolarHBondContact O-N 2.72Š|
| 1560 | F | 27.1 | Very low | 27.7 | Very low | 166 Ų | 166 | 108.4 Ų | 108.4 | 73% | 0.728 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 123.8 | -173.6 | -74.1 | -84.9 | 0 | 0 | 0 | 112.1 | L1558 H1562 | L1558-F1560 PolarHBondContact O-N 3.02Å; F1560-H1562 PolarHBondContact O-ND1 2.84Å |
| 1561 | K | 27.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 105.7 Ų | 105.7 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 147.3 | -176.1 | -69.5 | 168.1 | 178.7 | 159.3 | 0 | 112.2 | P1559 W1563 | P1559-K1561 PolarHBondContact O-N 2.72Å; K1561-W1563 PolarHBondContact O-NE1 2.86Å |
| 1562 | H | 32.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 104.5 Ų | 104.5 | 65% | 0.648 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 141.9 | -170 | -51.6 | -9.5 | 0 | 0 | 0 | 112.8 | F1560 | F1560-H1562 PolarHBondContact O-ND1 2.84Š|
| 1563 | W | 29.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 103.1 Ų | 103.1 | 44% | 0.443 | 56% | 0.561 | S | S | . | * | trans | -127.7 | 135.1 | -175.2 | -51.3 | 95 | 0 | 0 | 0 | 112.7 | K1561 L1610 | K1561-W1563 PolarHBondContact O-NE1 2.86Å; W1563-L1610 HydrophobicContact CD2-CB 4.31Å; W1563-L1610 HydrophobicContact CE3-CB 3.7Å; W1563-L1610 HydrophobicContact CE3-CD2 3.86Å; W1563-L1610 HydrophobicContact CE3-CG 4.31Å; W1563-L1610 HydrophobicContact CH2-CB 3.22Å; W1563-L1610 HydrophobicContact CZ2-CB 3.82Å; W1563-L1610 HydrophobicContact CZ3-CB 3.13Å; W1563-L1610 HydrophobicContact CZ3-CD2 4.07Å; W1563-L1610 HydrophobicContact CZ3-CG 4.18Å | ||
| 1564 | I | 34.9 | Very low | 30.6 | Very low | 91 Ų | 91 | 102.4 Ų | 102.4 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | trans | -114 | 117.2 | 175.2 | -59.7 | 168 | 0 | 0 | 0 | 107.7 | T1566 | I1564-T1566 HydrophobicContact CG2-CG2 4.28Š| ||
| 1565 | L | 33.9 | Very low | 31.7 | Very low | 52 Ų | 52 | 98.5 Ų | 98.5 | 27% | 0.272 | 52% | 0.52 | S | S | . | . | trans | -107.8 | 113.1 | 179.9 | -151.3 | 114.1 | 0 | 0 | 0 | 110.7 | T1567 L1603 | L1565-T1567 HydrophobicContact CD2-CG2 4.07Å; L1565-L1603 HydrophobicContact CD1-CD2 4.43Å | ||
| 1566 | T | 34.6 | Very low | 32.9 | Very low | 27 Ų | 27 | 92.9 Ų | 92.9 | 17% | 0.166 | 50% | 0.501 | C | S | . | . | trans | -102.5 | 114.3 | 176.9 | 62 | 0 | 0 | 0 | 0 | 109.8 | W1443 I1564 G1568 | W1443-T1566 HydrophobicContact CH2-CG2 3.69Å; W1443-T1566 HydrophobicContact CZ2-CG2 4.45Å; I1564-T1566 HydrophobicContact CG2-CG2 4.28Å; T1566-G1568 PolarHBondContact O-N 3.07Å | ||
| 1567 | T | 34.7 | Very low | 34.3 | Very low | 48 Ų | 48 | 86.7 Ų | 86.7 | 29% | 0.294 | 48% | 0.48 | S | S | . | . | trans | -88.9 | 92.2 | 176.7 | 59 | 0 | 0 | 0 | 0 | 109.7 | L1565 L1569 I1591 | L1565-T1567 HydrophobicContact CD2-CG2 4.07Å; T1567-L1569 PolarHBondContact O-N 3.39Å; T1567-L1569 VanDerWaalsContact O-N 3.17Å; T1567-I1591 HydrophobicContact CG2-CD1 4.01Å | ||
| 1568 | G | 35.7 | Very low | 35.7 | Very low | 42 Ų | 42 | 84.6 Ų | 84.6 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | trans | -77.1 | 24.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114 | T1566 S1570 | T1566-G1568 PolarHBondContact O-N 3.07Å; G1568-S1570 VanDerWaalsContact C-N 3.34Å; G1568-S1570 PolarHBondContact O-N 3.42Å | ||
| 1569 | L | 33.4 | Very low | 37.3 | Very low | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | trans | -91.2 | 20 | -166 | -70.3 | 169.3 | 0 | 0 | 0 | 114.5 | T1567 S1571 Y1601 | T1567-L1569 PolarHBondContact O-N 3.39Å; T1567-L1569 VanDerWaalsContact O-N 3.17Å; L1569-S1571 PolarHBondContact O-N 2.76Å; L1569-S1571 VanDerWaalsContact O-N 3.1Å; L1569-Y1601 WeakPolarHBondContact CD1-OH 3.37Å | ||
| 1570 | S | 37.4 | Very low | 38.9 | Very low | 82 Ų | 82 | 75.8 Ų | 75.8 | 57% | 0.573 | 42% | 0.418 | S | S | * | . | trans | -73.4 | 102 | 168.6 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | G1568 | G1568-S1570 VanDerWaalsContact C-N 3.34Å; G1568-S1570 PolarHBondContact O-N 3.42Å | ||
| 1571 | S | 35.9 | Very low | 40.5 | Very low | 50 Ų | 50 | 68.1 Ų | 68.1 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | trans | -123.7 | 161 | 162.3 | 90.7 | 0 | 0 | 0 | 0 | 109.2 | L1569 M1573 Y1574 G1575 | L1569-S1571 PolarHBondContact O-N 2.76Å; L1569-S1571 VanDerWaalsContact O-N 3.1Å; S1571-M1573 PolarHBondContact O-N 3.45Å; S1571-M1573 PolarHBondContact OG-N 3.11Å; S1571-M1573 VanDerWaalsContact OG-N 3.13Å; S1571-Y1574 PolarHBondContact O-N 2.81Å; S1571-Y1574 VanDerWaalsContact O-N 3.13Å; S1571-Y1574 WeakPolarHBondContact OG-CD2 3.41Å; S1571-G1575 PolarHBondContact O-N 2.86Å | ||
| 1572 | S | 40.6 | Very low | 42 | Very low | 132 Ų | 132 | 64.9 Ų | 64.9 | 92% | 0.923 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -21.4 | 173.3 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1573 | M | 31.6 | Very low | 43.3 | Very low | 149 Ų | 149 | 59.3 Ų | 59.3 | 73% | 0.734 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -27.3 | 178.7 | -75.2 | -160.1 | 142.4 | 0 | 0 | 115.1 | S1571 | S1571-M1573 PolarHBondContact O-N 3.45Å; S1571-M1573 PolarHBondContact OG-N 3.11Å; S1571-M1573 VanDerWaalsContact OG-N 3.13Å |
| 1574 | Y | 39.7 | Very low | 44.1 | Very low | 80 Ų | 80 | 60.6 Ų | 60.6 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -14.9 | -169.4 | -61.2 | -68.8 | 0 | 0 | 0 | 114.2 | S1571 F1593 T1595 | S1571-Y1574 PolarHBondContact O-N 2.81Å; S1571-Y1574 VanDerWaalsContact O-N 3.13Å; S1571-Y1574 WeakPolarHBondContact OG-CD2 3.41Å; Y1574-F1593 VanDerWaalsContact O-CB 3.3Å; Y1574-F1593 WeakPolarHBondContact O-CB 3.36Å; Y1574-F1593 WeakPolarHBondContact O-CD1 3.49Å; Y1574-F1593 VanDerWaalsContact O-CG 3.29Å; Y1574-F1593 WeakPolarHBondContact O-CG 3.37Å; Y1574-T1595 PolarHBondContact O-OG1 3.35Å |
| 1575 | G | 45.1 | Very low | 44.8 | Very low | 14 Ų | 14 | 59.9 Ų | 59.9 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | trans | 76.6 | -170.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1571 N1594 | S1571-G1575 PolarHBondContact O-N 2.86Å; G1575-N1594 VanDerWaalsContact CA-OD1 3.23Å; G1575-N1594 WeakPolarHBondContact CA-OD1 2.91Å | ||
| 1576 | V | 46.6 | Very low | 45.6 | Very low | 74 Ų | 74 | 59 Ų | 59 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | trans | -98.2 | 134.6 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | T1578 F1593 N1594 | V1576-T1578 PolarHBondContact O-N 3.32Å; V1576-F1593 WeakPolarHBondContact O-CA 3.42Å; V1576-N1594 PolarHBondContact N-OD1 3.3Å; V1576-N1594 PolarHBondContact O-N 3.02Å | ||
| 1577 | A | 49.9 | Very low | 46.6 | Very low | 33 Ų | 33 | 59.9 Ų | 59.9 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 120.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1591 G1592 F1593 | A1577-I1591 HydrophobicContact CB-CG2 3.84Å; A1577-G1592 CarbonylContact C-O 3.5Å; A1577-G1592 WeakPolarHBondContact CA-O 3.38Å; A1577-F1593 HydrophobicContact CB-CD1 4.39Å; A1577-F1593 HydrophobicContact CB-CE1 4.21Å |
| 1578 | T | 52.6 | Low | 47.6 | Very low | 68 Ų | 68 | 59.4 Ų | 59.4 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -33.6 | -179.7 | 54 | 0 | 0 | 0 | 0 | 112.7 | V1576 G1592 N1594 I1651 | V1576-T1578 PolarHBondContact O-N 3.32Å; T1578-G1592 PolarHBondContact N-O 3.35Å; T1578-G1592 PolarHBondContact OG1-O 3.08Å; T1578-N1594 HydrophobicContact CG2-CB 3.67Å; T1578-I1651 WeakPolarHBondContact CB-O 3.27Å; T1578-I1651 PolarHBondContact OG1-O 3.3Å |
| 1579 | A | 56.1 | Low | 48.8 | Very low | 15 Ų | 15 | 57.7 Ų | 57.7 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1592 L1654 | A1579-G1592 PolarHBondContact N-O 3.03Å; A1579-G1592 PolarHBondContact O-N 2.76Å; A1579-L1654 HydrophobicContact CB-CB 4.37Å; A1579-L1654 HydrophobicContact CB-CD1 4.37Å; A1579-L1654 HydrophobicContact CB-CG 4.3Å |
| 1580 | V | 58.4 | Low | 50.1 | Low | 32 Ų | 32 | 54.6 Ų | 54.6 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.1 | 177 | -177 | 0 | 0 | 0 | 0 | 109.5 | F1582 V1589 A1590 I1591 | V1580-F1582 HydrophobicContact CG1-CD2 4.26Å; V1580-F1582 HydrophobicContact CG1-CE2 3.58Å; V1580-F1582 HydrophobicContact CG1-CZ 3.8Å; V1580-V1589 HydrophobicContact CG1-CG1 4.09Å; V1580-A1590 WeakPolarHBondContact CA-O 3.35Å; V1580-I1591 HydrophobicContact CG1-CG1 4.21Å; V1580-I1591 HydrophobicContact CG2-CG1 4.26Å; V1580-I1591 HydrophobicContact CG2-CG2 4.24Å |
| 1581 | S | 59.9 | Low | 51.3 | Low | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.2 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | A1590 L1654 T1656 | S1581-A1590 PolarHBondContact N-O 3.03Å; S1581-A1590 PolarHBondContact O-N 3.33Å; S1581-L1654 WeakPolarHBondContact CB-O 3.25Å; S1581-T1656 PolarHBondContact OG-N 3.43Å; S1581-T1656 PolarHBondContact OG-OG1 3.33Å |
| 1582 | F | 59.4 | Low | 52.6 | Low | 46 Ų | 46 | 48.7 Ų | 48.7 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 145.7 | -178.3 | -63.8 | -94.6 | 0 | 0 | 0 | 109.7 | L1458 V1580 V1589 T1656 | L1458-F1582 HydrophobicContact CD2-CE1 4.41Å; L1458-F1582 HydrophobicContact CD2-CZ 4.4Å; V1580-F1582 HydrophobicContact CG1-CD2 4.26Å; V1580-F1582 HydrophobicContact CG1-CE2 3.58Å; V1580-F1582 HydrophobicContact CG1-CZ 3.8Å; F1582-V1589 HydrophobicContact CD1-CB 4.23Å; F1582-V1589 HydrophobicContact CD1-CG1 3.88Å; F1582-V1589 HydrophobicContact CD1-CG2 3.61Å; F1582-V1589 HydrophobicContact CE1-CB 4.2Å; F1582-V1589 HydrophobicContact CE1-CG1 3.53Å; F1582-V1589 HydrophobicContact CE1-CG2 3.63Å; F1582-V1589 HydrophobicContact CZ-CG1 4.05Å; F1582-T1656 PolarHBondContact O-OG1 2.8Å; F1582-T1656 VanDerWaalsContact O-OG1 3.05Å |
| 1583 | W | 58.9 | Low | 53.7 | Low | 22 Ų | 22 | 42.8 Ų | 42.8 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | trans | -75.8 | 151 | 169.8 | 175.5 | 44.7 | 0 | 0 | 0 | 111.3 | D1585 G1586 N1587 W1588 M1658 L1674 | W1583-D1585 VanDerWaalsContact C-N 3.3Å; W1583-D1585 HydrophobicContact CD2-CB 4.16Å; W1583-D1585 HydrophobicContact CE3-CB 3.82Å; W1583-D1585 HydrophobicContact CH2-CB 3.71Å; W1583-D1585 WeakPolarHBondContact CH2-OD2 3.47Å; W1583-D1585 HydrophobicContact CZ2-CB 3.94Å; W1583-D1585 VanDerWaalsContact CZ2-CG 3.43Å; W1583-D1585 WeakPolarHBondContact CZ2-OD2 3.48Å; W1583-D1585 HydrophobicContact CZ3-CB 3.62Å; W1583-D1585 PolarHBondContact O-N 3.23Å; W1583-G1586 WeakPolarHBondContact O-CA 3.38Å; W1583-G1586 PolarHBondContact O-N 3.07Å; W1583-N1587 HydrophobicContact CE3-CB 3.9Å; W1583-N1587 HydrophobicContact CZ3-CB 3.76Å; W1583-W1588 HydrophobicContact CB-CB 4.1Å; W1583-W1588 HydrophobicContact CE3-CB 4.47Å; W1583-W1588 AromaticContact CE3-CD1 3.49Å; W1583-W1588 VanDerWaalsContact CE3-CD1 3.49Å; W1583-W1588 HydrophobicContact CE3-CG 4.37Å; W1583-W1588 AromaticContact CZ3-CD1 3.76Å; W1583-W1588 PolarHBondContact N-O 2.9Å; W1583-W1588 VanDerWaalsContact N-O 3.12Å; W1583-M1658 VanDerWaalsContact CD1-CG 3.42Å; W1583-M1658 HydrophobicContact CD2-CG 4.23Å; W1583-M1658 HydrophobicContact CD2-SD 4.43Å; W1583-M1658 HydrophobicContact CG-CG 4.32Å; W1583-M1658 HydrophobicContact CH2-CE 4.26Å; W1583-M1658 HydrophobicContact CZ2-CE 3.76Å; W1583-M1658 HydrophobicContact CZ2-CG 3.55Å; W1583-M1658 HydrophobicContact CZ2-SD 3.99Å; W1583-L1674 HydrophobicContact CB-CD1 4.2Å; W1583-L1674 HydrophobicContact CG-CD1 4.08Å | ||
| 1584 | K | 47.6 | Very low | 55 | Low | 145 Ų | 145 | 37.3 Ų | 37.3 | 63% | 0.63 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46 | -45.8 | -178.6 | -166.3 | 179.1 | 177.9 | -171.7 | 0 | 113.3 | E1453 G1586 | E1453-K1584 HydrophobicContact CG-CG 4.14Å; E1453-K1584 WeakPolarHBondContact OE1-CE 3.35Å; E1453-K1584 VanDerWaalsContact OE1-CG 3.23Å; E1453-K1584 WeakPolarHBondContact OE1-CG 3.43Å; E1453-K1584 IonicContact OE1-NZ 3.52Å; K1584-G1586 VanDerWaalsContact C-N 3.34Å; K1584-G1586 PolarHBondContact O-N 3.47Å |
| 1585 | D | 48.4 | Very low | 56 | Low | 76 Ų | 76 | 35.5 Ų | 35.5 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.5 | -178.8 | -52.8 | -1.8 | 0 | 0 | 0 | 113 | W1583 N1587 | W1583-D1585 VanDerWaalsContact C-N 3.3Å; W1583-D1585 HydrophobicContact CD2-CB 4.16Å; W1583-D1585 HydrophobicContact CE3-CB 3.82Å; W1583-D1585 HydrophobicContact CH2-CB 3.71Å; W1583-D1585 WeakPolarHBondContact CH2-OD2 3.47Å; W1583-D1585 HydrophobicContact CZ2-CB 3.94Å; W1583-D1585 VanDerWaalsContact CZ2-CG 3.43Å; W1583-D1585 WeakPolarHBondContact CZ2-OD2 3.48Å; W1583-D1585 HydrophobicContact CZ3-CB 3.62Å; W1583-D1585 PolarHBondContact O-N 3.23Å; D1585-N1587 VanDerWaalsContact C-N 3.29Å; D1585-N1587 PolarHBondContact O-N 3.47Å; D1585-N1587 PolarHBondContact O-OD1 3.09Å; D1585-N1587 VanDerWaalsContact O-OD1 3.05Å |
| 1586 | G | 51.5 | Low | 56.8 | Low | 33 Ų | 33 | 35.3 Ų | 35.3 | 34% | 0.34 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 79 | -8.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | W1583 K1584 W1588 | W1583-G1586 WeakPolarHBondContact O-CA 3.38Å; W1583-G1586 PolarHBondContact O-N 3.07Å; K1584-G1586 VanDerWaalsContact C-N 3.34Å; K1584-G1586 PolarHBondContact O-N 3.47Å; G1586-W1588 PolarHBondContact O-N 3.23Å |
| 1587 | N | 55.7 | Low | 57.6 | Low | 46 Ų | 46 | 34.2 Ų | 34.2 | 25% | 0.246 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -68.6 | -23.7 | -175.7 | -51.4 | 0.1 | 0 | 0 | 0 | 113.5 | W1583 D1585 S1602 L1603 F1605 | W1583-N1587 HydrophobicContact CE3-CB 3.9Å; W1583-N1587 HydrophobicContact CZ3-CB 3.76Å; D1585-N1587 VanDerWaalsContact C-N 3.29Å; D1585-N1587 PolarHBondContact O-N 3.47Å; D1585-N1587 PolarHBondContact O-OD1 3.09Å; D1585-N1587 VanDerWaalsContact O-OD1 3.05Å; N1587-S1602 WeakPolarHBondContact O-CA 3.41Å; N1587-L1603 PolarHBondContact O-N 3.39Å; N1587-F1605 HydrophobicContact CB-CE1 4.18Å; N1587-F1605 WeakPolarHBondContact OD1-CE1 3.48Å; N1587-F1605 WeakPolarHBondContact OD1-CZ 3.3Å |
| 1588 | W | 54.8 | Low | 58.4 | Low | 38 Ų | 38 | 32.8 Ų | 32.8 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.1 | -174.7 | -63.4 | 84.4 | 0 | 0 | 0 | 111.1 | W1583 G1586 V1600 Y1601 Y1617 L1674 | W1583-W1588 HydrophobicContact CB-CB 4.1Å; W1583-W1588 HydrophobicContact CE3-CB 4.47Å; W1583-W1588 AromaticContact CE3-CD1 3.49Å; W1583-W1588 VanDerWaalsContact CE3-CD1 3.49Å; W1583-W1588 HydrophobicContact CE3-CG 4.37Å; W1583-W1588 AromaticContact CZ3-CD1 3.76Å; W1583-W1588 PolarHBondContact N-O 2.9Å; W1583-W1588 VanDerWaalsContact N-O 3.12Å; G1586-W1588 PolarHBondContact O-N 3.23Å; W1588-V1600 HydrophobicContact CE3-CG1 3.68Å; W1588-V1600 HydrophobicContact CZ3-CG1 4.33Å; W1588-Y1601 CarbonylContact C-O 3.57Å; W1588-Y1601 VanDerWaalsContact CA-O 3.3Å; W1588-Y1601 WeakPolarHBondContact CA-O 3.35Å; W1588-Y1617 HydrophobicContact CE3-CD2 4.39Å; W1588-Y1617 HydrophobicContact CE3-CE2 4.24Å; W1588-Y1617 HydrophobicContact CH2-CD2 4.23Å; W1588-Y1617 AromaticContact CH2-CE2 3.47Å; W1588-Y1617 HydrophobicContact CH2-CE2 3.47Å; W1588-Y1617 VanDerWaalsContact CH2-CE2 3.47Å; W1588-Y1617 AromaticContact CH2-CZ 3.93Å; W1588-Y1617 AromaticContact CZ3-CD2 3.51Å; W1588-Y1617 HydrophobicContact CZ3-CD2 3.51Å; W1588-Y1617 AromaticContact CZ3-CE2 3.18Å; W1588-Y1617 HydrophobicContact CZ3-CE2 3.18Å; W1588-L1674 HydrophobicContact CB-CD2 4.1Å; W1588-L1674 HydrophobicContact CD2-CD2 4.14Å; W1588-L1674 HydrophobicContact CE3-CD2 4.15Å; W1588-L1674 HydrophobicContact CG-CD2 4.12Å |
| 1589 | V | 62 | Low | 58.9 | Low | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.03 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.5 | 179.5 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | V1580 F1582 I1591 V1600 Y1601 L1603 | V1580-V1589 HydrophobicContact CG1-CG1 4.09Å; F1582-V1589 HydrophobicContact CD1-CB 4.23Å; F1582-V1589 HydrophobicContact CD1-CG1 3.88Å; F1582-V1589 HydrophobicContact CD1-CG2 3.61Å; F1582-V1589 HydrophobicContact CE1-CB 4.2Å; F1582-V1589 HydrophobicContact CE1-CG1 3.53Å; F1582-V1589 HydrophobicContact CE1-CG2 3.63Å; F1582-V1589 HydrophobicContact CZ-CG1 4.05Å; V1589-I1591 HydrophobicContact CG1-CD1 4.38Å; V1589-I1591 HydrophobicContact CG1-CG1 4.08Å; V1589-V1600 CarbonylContact O-C 3.56Å; V1589-V1600 VanDerWaalsContact O-CA 3.29Å; V1589-V1600 WeakPolarHBondContact O-CA 3.48Å; V1589-Y1601 PolarHBondContact N-O 2.7Å; V1589-Y1601 PolarHBondContact O-N 2.99Å; V1589-L1603 HydrophobicContact CG2-CD1 3.75Å; V1589-L1603 HydrophobicContact CG2-CG 4.48Å |
| 1590 | A | 60.6 | Low | 59.4 | Low | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1580 S1581 I1599 V1600 T1656 V1676 | V1580-A1590 WeakPolarHBondContact CA-O 3.35Å; S1581-A1590 PolarHBondContact N-O 3.03Å; S1581-A1590 PolarHBondContact O-N 3.33Å; A1590-I1599 CarbonylContact C-O 3.56Å; A1590-I1599 WeakPolarHBondContact CA-O 3.45Å; A1590-V1600 HydrophobicContact CB-CG2 4.15Å; A1590-T1656 HydrophobicContact CB-CG2 3.73Å; A1590-V1676 HydrophobicContact CB-CG1 4.42Å |
| 1591 | I | 62.9 | Low | 59.6 | Low | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.036 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.5 | -177.4 | -55.2 | -175.9 | 0 | 0 | 0 | 109.1 | T1567 A1577 V1580 V1589 F1593 V1598 I1599 Y1601 | T1567-I1591 HydrophobicContact CG2-CD1 4.01Å; A1577-I1591 HydrophobicContact CB-CG2 3.84Å; V1580-I1591 HydrophobicContact CG1-CG1 4.21Å; V1580-I1591 HydrophobicContact CG2-CG1 4.26Å; V1580-I1591 HydrophobicContact CG2-CG2 4.24Å; V1589-I1591 HydrophobicContact CG1-CD1 4.38Å; V1589-I1591 HydrophobicContact CG1-CG1 4.08Å; I1591-F1593 HydrophobicContact CB-CE2 4.15Å; I1591-F1593 HydrophobicContact CB-CZ 4.5Å; I1591-F1593 HydrophobicContact CG2-CD2 4.34Å; I1591-F1593 HydrophobicContact CG2-CE1 4.37Å; I1591-F1593 HydrophobicContact CG2-CE2 3.64Å; I1591-F1593 HydrophobicContact CG2-CZ 3.68Å; I1591-V1598 WeakPolarHBondContact O-CA 3.32Å; I1591-I1599 PolarHBondContact N-O 3.15Å; I1591-I1599 PolarHBondContact O-N 2.97Å; I1591-Y1601 HydrophobicContact CD1-CD2 4.05Å; I1591-Y1601 HydrophobicContact CD1-CE2 3.84Å; I1591-Y1601 HydrophobicContact CG1-CD2 4.39Å; I1591-Y1601 HydrophobicContact CG1-CE2 4.35Å |
| 1592 | G | 61.8 | Low | 59.5 | Low | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1577 T1578 A1579 L1654 | A1577-G1592 CarbonylContact C-O 3.5Å; A1577-G1592 WeakPolarHBondContact CA-O 3.38Å; T1578-G1592 PolarHBondContact N-O 3.35Å; T1578-G1592 PolarHBondContact OG1-O 3.08Å; A1579-G1592 PolarHBondContact N-O 3.03Å; A1579-G1592 PolarHBondContact O-N 2.76Å; G1592-L1654 VanDerWaalsContact CA-CD1 3.49Å |
| 1593 | F | 63.5 | Low | 59.2 | Low | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 154.5 | 178.8 | -65.1 | -92.2 | 0 | 0 | 0 | 110.7 | Y1574 V1576 A1577 I1591 T1595 G1596 N1597 I1599 | Y1574-F1593 VanDerWaalsContact O-CB 3.3Å; Y1574-F1593 WeakPolarHBondContact O-CB 3.36Å; Y1574-F1593 WeakPolarHBondContact O-CD1 3.49Å; Y1574-F1593 VanDerWaalsContact O-CG 3.29Å; Y1574-F1593 WeakPolarHBondContact O-CG 3.37Å; V1576-F1593 WeakPolarHBondContact O-CA 3.42Å; A1577-F1593 HydrophobicContact CB-CD1 4.39Å; A1577-F1593 HydrophobicContact CB-CE1 4.21Å; I1591-F1593 HydrophobicContact CB-CE2 4.15Å; I1591-F1593 HydrophobicContact CB-CZ 4.5Å; I1591-F1593 HydrophobicContact CG2-CD2 4.34Å; I1591-F1593 HydrophobicContact CG2-CE1 4.37Å; I1591-F1593 HydrophobicContact CG2-CE2 3.64Å; I1591-F1593 HydrophobicContact CG2-CZ 3.68Å; F1593-T1595 PolarHBondContact O-N 3.35Å; F1593-G1596 PolarHBondContact O-N 3.38Å; F1593-N1597 PolarHBondContact N-O 3.46Å; F1593-I1599 HydrophobicContact CD2-CD1 4Å; F1593-I1599 HydrophobicContact CD2-CG1 4.05Å; F1593-I1599 HydrophobicContact CE2-CB 4.12Å; F1593-I1599 HydrophobicContact CE2-CD1 3.44Å; F1593-I1599 VanDerWaalsContact CE2-CD1 3.44Å; F1593-I1599 HydrophobicContact CE2-CG1 3.68Å; F1593-I1599 HydrophobicContact CZ-CD1 4.16Å |
| 1594 | N | 59.4 | Low | 58.4 | Low | 35 Ų | 35 | 30.6 Ų | 30.6 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.6 | 174.3 | 66.3 | -19.1 | 0 | 0 | 0 | 112.9 | G1575 V1576 T1578 G1596 H1650 | G1575-N1594 VanDerWaalsContact CA-OD1 3.23Å; G1575-N1594 WeakPolarHBondContact CA-OD1 2.91Å; V1576-N1594 PolarHBondContact N-OD1 3.3Å; V1576-N1594 PolarHBondContact O-N 3.02Å; T1578-N1594 HydrophobicContact CG2-CB 3.67Å; N1594-G1596 PolarHBondContact O-N 3.27Å; N1594-G1596 VanDerWaalsContact O-N 3.14Å; N1594-H1650 PolarHBondContact O-CE1 2.84Å; N1594-H1650 PolarHBondContact O-ND1 2.7Å |
| 1595 | T | 62.1 | Low | 58.4 | Low | 41 Ų | 41 | 27.9 Ų | 27.9 | 25% | 0.252 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 0 | 173.7 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | Y1574 F1593 N1597 H1648 | Y1574-T1595 PolarHBondContact O-OG1 3.35Å; F1593-T1595 PolarHBondContact O-N 3.35Å; T1595-N1597 VanDerWaalsContact C-N 3.26Å; T1595-N1597 PolarHBondContact O-N 3.47Å; T1595-N1597 PolarHBondContact OG1-ND2 3.37Å; T1595-H1648 PolarHBondContact O-ND1 3.31Å; T1595-H1648 VanDerWaalsContact O-ND1 3.13Å |
| 1596 | G | 61.2 | Low | 57.9 | Low | 10 Ų | 10 | 28.2 Ų | 28.2 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 82.9 | -0.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1593 N1594 D1649 I1651 Y1680 | F1593-G1596 PolarHBondContact O-N 3.38Å; N1594-G1596 PolarHBondContact O-N 3.27Å; N1594-G1596 VanDerWaalsContact O-N 3.14Å; G1596-D1649 VanDerWaalsContact CA-O 3.26Å; G1596-D1649 WeakPolarHBondContact CA-O 3.36Å; G1596-I1651 VanDerWaalsContact C-CD1 3.47Å; G1596-I1651 WeakPolarHBondContact O-CD1 3.39Å; G1596-Y1680 PolarHBondContact O-OH 3.43Å |
| 1597 | N | 64.2 | Low | 57 | Low | 52 Ų | 52 | 35 Ų | 35 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | trans | -83.6 | 133.7 | 178.2 | -70.9 | -38.8 | 0 | 0 | 0 | 111.6 | F1593 T1595 | F1593-N1597 PolarHBondContact N-O 3.46Å; T1595-N1597 VanDerWaalsContact C-N 3.26Å; T1595-N1597 PolarHBondContact O-N 3.47Å; T1595-N1597 PolarHBondContact OG1-ND2 3.37Å | ||
| 1598 | V | 65.9 | Low | 56 | Low | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125 | 170.5 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | I1591 L1619 I1651 L1654 V1676 W1688 | I1591-V1598 WeakPolarHBondContact O-CA 3.32Å; V1598-L1619 HydrophobicContact CB-CB 4.23Å; V1598-L1619 HydrophobicContact CB-CD1 4.23Å; V1598-L1619 HydrophobicContact CG1-CD1 3.92Å; V1598-L1619 PolarHBondContact O-N 3.13Å; V1598-I1651 HydrophobicContact CG2-CD1 3.45Å; V1598-I1651 VanDerWaalsContact CG2-CD1 3.45Å; V1598-I1651 HydrophobicContact CG2-CG1 4.47Å; V1598-L1654 HydrophobicContact CG1-CD1 4.17Å; V1598-L1654 HydrophobicContact CG1-CD2 3.95Å; V1598-L1654 HydrophobicContact CG2-CD2 3.84Å; V1598-V1676 HydrophobicContact CG1-CG1 4.23Å; V1598-W1688 HydrophobicContact CG2-CH2 4.06Å; V1598-W1688 HydrophobicContact CG2-CZ3 4.21Å |
| 1599 | I | 62.8 | Low | 54.9 | Low | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.4 | 178.5 | -51.1 | -174.2 | 0 | 0 | 0 | 108.7 | A1590 I1591 F1593 Y1601 R1616 Y1617 H1618 | A1590-I1599 CarbonylContact C-O 3.56Å; A1590-I1599 WeakPolarHBondContact CA-O 3.45Å; I1591-I1599 PolarHBondContact N-O 3.15Å; I1591-I1599 PolarHBondContact O-N 2.97Å; F1593-I1599 HydrophobicContact CD2-CD1 4Å; F1593-I1599 HydrophobicContact CD2-CG1 4.05Å; F1593-I1599 HydrophobicContact CE2-CB 4.12Å; F1593-I1599 HydrophobicContact CE2-CD1 3.44Å; F1593-I1599 VanDerWaalsContact CE2-CD1 3.44Å; F1593-I1599 HydrophobicContact CE2-CG1 3.68Å; F1593-I1599 HydrophobicContact CZ-CD1 4.16Å; I1599-Y1601 HydrophobicContact CB-CE2 4.11Å; I1599-Y1601 HydrophobicContact CG2-CD2 4.2Å; I1599-Y1601 HydrophobicContact CG2-CE1 4.28Å; I1599-Y1601 HydrophobicContact CG2-CE2 3.54Å; I1599-R1616 HydrophobicContact CG2-CG 3.71Å; I1599-Y1617 CarbonylContact C-O 3.59Å; I1599-Y1617 WeakPolarHBondContact CA-O 2.98Å; I1599-Y1617 WeakPolarHBondContact CG2-O 3.36Å; I1599-H1618 VanDerWaalsContact CD1-CE1 3.45Å; I1599-H1618 WeakPolarHBondContact CD1-CE1 3.22Å |
| 1600 | V | 67.7 | Low | 53.7 | Low | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.4 | 177.1 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | W1588 V1589 A1590 Y1617 L1619 L1674 V1676 | W1588-V1600 HydrophobicContact CE3-CG1 3.68Å; W1588-V1600 HydrophobicContact CZ3-CG1 4.33Å; V1589-V1600 CarbonylContact O-C 3.56Å; V1589-V1600 VanDerWaalsContact O-CA 3.29Å; V1589-V1600 WeakPolarHBondContact O-CA 3.48Å; A1590-V1600 HydrophobicContact CB-CG2 4.15Å; V1600-Y1617 PolarHBondContact N-O 2.98Å; V1600-Y1617 PolarHBondContact O-N 3.47Å; V1600-L1619 HydrophobicContact CG2-CD1 3.68Å; V1600-L1619 HydrophobicContact CG2-CG 4.06Å; V1600-L1674 HydrophobicContact CG1-CD2 4.44Å; V1600-V1676 HydrophobicContact CG2-CG2 4.42Å |
| 1601 | Y | 61.2 | Low | 52.5 | Low | 15 Ų | 15 | 44.2 Ų | 44.2 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.2 | 177.4 | -64.2 | -86.7 | 0 | 0 | 0 | 110.3 | L1569 W1588 V1589 I1591 I1599 I1613 R1616 | L1569-Y1601 WeakPolarHBondContact CD1-OH 3.37Å; W1588-Y1601 CarbonylContact C-O 3.57Å; W1588-Y1601 VanDerWaalsContact CA-O 3.3Å; W1588-Y1601 WeakPolarHBondContact CA-O 3.35Å; V1589-Y1601 PolarHBondContact N-O 2.7Å; V1589-Y1601 PolarHBondContact O-N 2.99Å; I1591-Y1601 HydrophobicContact CD1-CD2 4.05Å; I1591-Y1601 HydrophobicContact CD1-CE2 3.84Å; I1591-Y1601 HydrophobicContact CG1-CD2 4.39Å; I1591-Y1601 HydrophobicContact CG1-CE2 4.35Å; I1599-Y1601 HydrophobicContact CB-CE2 4.11Å; I1599-Y1601 HydrophobicContact CG2-CD2 4.2Å; I1599-Y1601 HydrophobicContact CG2-CE1 4.28Å; I1599-Y1601 HydrophobicContact CG2-CE2 3.54Å; Y1601-I1613 HydrophobicContact CD1-CD1 4.11Å; Y1601-I1613 HydrophobicContact CD1-CG2 3.88Å; Y1601-I1613 HydrophobicContact CE1-CD1 4.41Å; Y1601-R1616 HydrophobicContact CD1-CB 4Å; Y1601-R1616 HydrophobicContact CD1-CG 3.99Å; Y1601-R1616 HydrophobicContact CE1-CB 3.97Å; Y1601-R1616 HydrophobicContact CE1-CG 3.56Å |
| 1602 | S | 57.6 | Low | 51.5 | Low | 16 Ų | 16 | 44.5 Ų | 44.5 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.1 | 169.5 | 169.1 | 0 | 0 | 0 | 0 | 108.8 | N1587 I1613 V1614 R1615 | N1587-S1602 WeakPolarHBondContact O-CA 3.41Å; S1602-I1613 CarbonylContact O-C 3.51Å; S1602-V1614 PolarHBondContact O-N 3.3Å; S1602-R1615 PolarHBondContact N-O 3.38Å; S1602-R1615 PolarHBondContact O-N 3.43Å |
| 1603 | L | 53.9 | Low | 50.6 | Low | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.2 | -175.1 | -62.9 | 173.9 | 0 | 0 | 0 | 110.2 | L1565 N1587 V1589 L1610 I1613 | L1565-L1603 HydrophobicContact CD1-CD2 4.43Å; N1587-L1603 PolarHBondContact O-N 3.39Å; V1589-L1603 HydrophobicContact CG2-CD1 3.75Å; V1589-L1603 HydrophobicContact CG2-CG 4.48Å; L1603-L1610 HydrophobicContact CB-CD1 4.16Å; L1603-I1613 HydrophobicContact CD2-CG1 4Å |
| 1604 | H | 42.6 | Very low | 49.7 | Very low | 81 Ų | 81 | 51.4 Ų | 51.4 | 38% | 0.375 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.6 | 176.1 | -156.6 | -76.2 | 0 | 0 | 0 | 108.6 | D1606 L1610 Y1611 G1612 V1614 | H1604-D1606 IonicContact CE1-OD1 3.42Å; H1604-D1606 PolarHBondContact CE1-OD1 3.28Å; H1604-D1606 IonicContact ND1-OD1 2.69Å; H1604-L1610 CarbonylContact O-C 3.52Å; H1604-L1610 VanDerWaalsContact O-CA 3.25Å; H1604-L1610 WeakPolarHBondContact O-CA 3.12Å; H1604-L1610 WeakPolarHBondContact O-CD1 3.31Å; H1604-L1610 WeakPolarHBondContact O-CG 3.41Å; H1604-Y1611 AromaticContact ND1-CD2 3.66Å; H1604-Y1611 PolarHBondContact O-N 3.09Å; H1604-G1612 PolarHBondContact N-O 3.21Å; H1604-V1614 HydrophobicContact CB-CG2 3.33Å; H1604-V1614 VanDerWaalsContact N-CG2 3.31Å |
| 1605 | F | 47.7 | Very low | 49 | Very low | 89 Ų | 89 | 54.4 Ų | 54.4 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.5 | 169.5 | 52 | -87.2 | 0 | 0 | 0 | 108.7 | N1587 Q1609 L1610 | N1587-F1605 HydrophobicContact CB-CE1 4.18Å; N1587-F1605 WeakPolarHBondContact OD1-CE1 3.48Å; N1587-F1605 WeakPolarHBondContact OD1-CZ 3.3Å; F1605-Q1609 WeakPolarHBondContact CA-O 3.45Å; F1605-L1610 HydrophobicContact CB-CD1 4.06Å |
| 1606 | D | 36.9 | Very low | 48.7 | Very low | 83 Ų | 83 | 56.8 Ų | 56.8 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 168.6 | 157 | -78.6 | -3.9 | 0 | 0 | 0 | 108.3 | H1604 S1608 Q1609 Y1611 | H1604-D1606 IonicContact CE1-OD1 3.42Å; H1604-D1606 PolarHBondContact CE1-OD1 3.28Å; H1604-D1606 IonicContact ND1-OD1 2.69Å; D1606-S1608 PolarHBondContact O-N 2.72Å; D1606-Q1609 PolarHBondContact N-O 3.14Å; D1606-Q1609 PolarHBondContact O-N 3.18Å; D1606-Q1609 VanDerWaalsContact O-N 3.1Å; D1606-Y1611 HydrophobicContact CB-CE2 3.8Å; D1606-Y1611 WeakPolarHBondContact OD2-CE2 3.34Å |
| 1607 | D | 32.8 | Very low | 48.6 | Very low | 174 Ų | 174 | 57.7 Ų | 57.7 | 93% | 0.93 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.9 | -16.5 | 179.3 | -64.5 | -20.9 | 0 | 0 | 0 | 115.3 | ||
| 1608 | S | 33.5 | Very low | 48.4 | Very low | 58 Ų | 58 | 58.9 Ų | 58.9 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -20.2 | -180 | 69.5 | 0 | 0 | 0 | 0 | 116.4 | D1606 | D1606-S1608 PolarHBondContact O-N 2.72Š|
| 1609 | Q | 31.7 | Very low | 48.1 | Very low | 69 Ų | 69 | 59.2 Ų | 59.2 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 128 | -168.2 | -61.7 | -171 | 26.3 | 0 | 0 | 112.3 | F1605 D1606 Y1611 | F1605-Q1609 WeakPolarHBondContact CA-O 3.45Å; D1606-Q1609 PolarHBondContact N-O 3.14Å; D1606-Q1609 PolarHBondContact O-N 3.18Å; D1606-Q1609 VanDerWaalsContact O-N 3.1Å; Q1609-Y1611 HydrophobicContact CB-CE2 4.23Å; Q1609-Y1611 PolarHBondContact O-N 3.21Å |
| 1610 | L | 38.3 | Very low | 47.7 | Very low | 28 Ų | 28 | 64.4 Ų | 64.4 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 107.3 | 160.4 | -176.3 | 94.3 | 0 | 0 | 0 | 106.8 | L1482 W1563 L1603 H1604 F1605 G1612 | L1482-L1610 HydrophobicContact CD1-CD2 4.16Å; L1482-L1610 HydrophobicContact CD2-CD2 3.69Å; W1563-L1610 HydrophobicContact CD2-CB 4.31Å; W1563-L1610 HydrophobicContact CE3-CB 3.7Å; W1563-L1610 HydrophobicContact CE3-CD2 3.86Å; W1563-L1610 HydrophobicContact CE3-CG 4.31Å; W1563-L1610 HydrophobicContact CH2-CB 3.22Å; W1563-L1610 HydrophobicContact CZ2-CB 3.82Å; W1563-L1610 HydrophobicContact CZ3-CB 3.13Å; W1563-L1610 HydrophobicContact CZ3-CD2 4.07Å; W1563-L1610 HydrophobicContact CZ3-CG 4.18Å; L1603-L1610 HydrophobicContact CB-CD1 4.16Å; H1604-L1610 CarbonylContact O-C 3.52Å; H1604-L1610 VanDerWaalsContact O-CA 3.25Å; H1604-L1610 WeakPolarHBondContact O-CA 3.12Å; H1604-L1610 WeakPolarHBondContact O-CD1 3.31Å; H1604-L1610 WeakPolarHBondContact O-CG 3.41Å; F1605-L1610 HydrophobicContact CB-CD1 4.06Å; L1610-G1612 PolarHBondContact O-N 3.02Å |
| 1611 | Y | 36 | Very low | 46.8 | Very low | 131 Ų | 131 | 66.5 Ų | 66.5 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -16.7 | 178.8 | -70.6 | -81.8 | 0 | 0 | 0 | 112.1 | H1604 D1606 Q1609 | H1604-Y1611 AromaticContact ND1-CD2 3.66Å; H1604-Y1611 PolarHBondContact O-N 3.09Å; D1606-Y1611 HydrophobicContact CB-CE2 3.8Å; D1606-Y1611 WeakPolarHBondContact OD2-CE2 3.34Å; Q1609-Y1611 HydrophobicContact CB-CE2 4.23Å; Q1609-Y1611 PolarHBondContact O-N 3.21Å |
| 1612 | G | 40.5 | Very low | 45.8 | Very low | 12 Ų | 12 | 67.7 Ų | 67.7 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.6 | -158.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1604 L1610 V1614 | H1604-G1612 PolarHBondContact N-O 3.21Å; L1610-G1612 PolarHBondContact O-N 3.02Å; G1612-V1614 PolarHBondContact O-N 3.23Å |
| 1613 | I | 43.8 | Very low | 44.6 | Very low | 85 Ų | 85 | 72.8 Ų | 72.8 | 44% | 0.436 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 116.2 | 174.7 | -61.3 | 169 | 0 | 0 | 0 | 107.8 | Y1601 S1602 L1603 | Y1601-I1613 HydrophobicContact CD1-CD1 4.11Å; Y1601-I1613 HydrophobicContact CD1-CG2 3.88Å; Y1601-I1613 HydrophobicContact CE1-CD1 4.41Å; S1602-I1613 CarbonylContact O-C 3.51Å; L1603-I1613 HydrophobicContact CD2-CG1 4Å |
| 1614 | V | 43.3 | Very low | 43.2 | Very low | 69 Ų | 69 | 79.1 Ų | 79.1 | 42% | 0.418 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -50.1 | 174.8 | -161.8 | 0 | 0 | 0 | 0 | 109.4 | S1602 H1604 G1612 | S1602-V1614 PolarHBondContact O-N 3.3Å; H1604-V1614 HydrophobicContact CB-CG2 3.33Å; H1604-V1614 VanDerWaalsContact N-CG2 3.31Å; G1612-V1614 PolarHBondContact O-N 3.23Å |
| 1615 | R | 46.2 | Very low | 42.4 | Very low | 98 Ų | 98 | 83 Ų | 83 | 37% | 0.37 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 146.6 | -167.9 | -63.4 | -178.9 | -178.4 | 167.6 | 3 | 111 | S1602 Y1617 | S1602-R1615 PolarHBondContact N-O 3.38Å; S1602-R1615 PolarHBondContact O-N 3.43Å; R1615-Y1617 HydrophobicContact CB-CD2 4.38Å; R1615-Y1617 HydrophobicContact CB-CE1 4.38Å; R1615-Y1617 HydrophobicContact CB-CE2 3.57Å; R1615-Y1617 WeakPolarHBondContact CD-OH 3.33Å |
| 1616 | R | 55 | Low | 41.3 | Very low | 91 Ų | 91 | 86.1 Ų | 86.1 | 34% | 0.343 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.7 | 174.9 | 175.5 | -173.2 | -178.5 | -165.9 | 0.7 | 107.7 | I1599 Y1601 H1618 | I1599-R1616 HydrophobicContact CG2-CG 3.71Å; Y1601-R1616 HydrophobicContact CD1-CB 4Å; Y1601-R1616 HydrophobicContact CD1-CG 3.99Å; Y1601-R1616 HydrophobicContact CE1-CB 3.97Å; Y1601-R1616 HydrophobicContact CE1-CG 3.56Å; R1616-H1618 VanDerWaalsContact CZ-NE2 3.3Å; R1616-H1618 PolarHBondContact NE-NE2 3.03Å; R1616-H1618 VanDerWaalsContact NE-NE2 3.18Å; R1616-H1618 PolarHBondContact NH2-CE1 3.33Å; R1616-H1618 PolarHBondContact NH2-NE2 3.27Å |
| 1617 | Y | 58.1 | Low | 40.7 | Very low | 28 Ų | 28 | 88.4 Ų | 88.4 | 11% | 0.11 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136 | -178.6 | -55.1 | -82.8 | 0 | 0 | 0 | 110.1 | W1588 I1599 V1600 R1615 I1697 | W1588-Y1617 HydrophobicContact CE3-CD2 4.39Å; W1588-Y1617 HydrophobicContact CE3-CE2 4.24Å; W1588-Y1617 HydrophobicContact CH2-CD2 4.23Å; W1588-Y1617 AromaticContact CH2-CE2 3.47Å; W1588-Y1617 HydrophobicContact CH2-CE2 3.47Å; W1588-Y1617 VanDerWaalsContact CH2-CE2 3.47Å; W1588-Y1617 AromaticContact CH2-CZ 3.93Å; W1588-Y1617 AromaticContact CZ3-CD2 3.51Å; W1588-Y1617 HydrophobicContact CZ3-CD2 3.51Å; W1588-Y1617 AromaticContact CZ3-CE2 3.18Å; W1588-Y1617 HydrophobicContact CZ3-CE2 3.18Å; I1599-Y1617 CarbonylContact C-O 3.59Å; I1599-Y1617 WeakPolarHBondContact CA-O 2.98Å; I1599-Y1617 WeakPolarHBondContact CG2-O 3.36Å; V1600-Y1617 PolarHBondContact N-O 2.98Å; V1600-Y1617 PolarHBondContact O-N 3.47Å; R1615-Y1617 HydrophobicContact CB-CD2 4.38Å; R1615-Y1617 HydrophobicContact CB-CE1 4.38Å; R1615-Y1617 HydrophobicContact CB-CE2 3.57Å; R1615-Y1617 WeakPolarHBondContact CD-OH 3.33Å; Y1617-I1697 HydrophobicContact CD1-CB 4.24Å; Y1617-I1697 HydrophobicContact CD1-CD1 3.88Å; Y1617-I1697 HydrophobicContact CD1-CG2 4.42Å; Y1617-I1697 HydrophobicContact CE1-CB 4.33Å; Y1617-I1697 HydrophobicContact CE1-CD1 3.74Å; Y1617-I1697 HydrophobicContact CE1-CG1 4.37Å |
| 1618 | H | 61.5 | Low | 40.3 | Very low | 78 Ų | 78 | 89.7 Ų | 89.7 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.2 | 173.8 | -74.2 | -99.4 | 0 | 0 | 0 | 108.8 | I1599 R1616 L1620 | I1599-H1618 VanDerWaalsContact CD1-CE1 3.45Å; I1599-H1618 WeakPolarHBondContact CD1-CE1 3.22Å; R1616-H1618 VanDerWaalsContact CZ-NE2 3.3Å; R1616-H1618 PolarHBondContact NE-NE2 3.03Å; R1616-H1618 VanDerWaalsContact NE-NE2 3.18Å; R1616-H1618 PolarHBondContact NH2-CE1 3.33Å; R1616-H1618 PolarHBondContact NH2-NE2 3.27Å; H1618-L1620 PolarHBondContact O-N 3.27Å |
| 1619 | L | 59.1 | Low | 39.7 | Very low | 8 Ų | 8 | 93.4 Ų | 93.4 | 4% | 0.042 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 105.4 | 176 | -69.5 | 176.6 | 0 | 0 | 0 | 109.5 | V1598 V1600 V1676 W1688 L1690 I1702 | V1598-L1619 HydrophobicContact CB-CB 4.23Å; V1598-L1619 HydrophobicContact CB-CD1 4.23Å; V1598-L1619 HydrophobicContact CG1-CD1 3.92Å; V1598-L1619 PolarHBondContact O-N 3.13Å; V1600-L1619 HydrophobicContact CG2-CD1 3.68Å; V1600-L1619 HydrophobicContact CG2-CG 4.06Å; L1619-V1676 HydrophobicContact CD1-CB 3.98Å; L1619-V1676 HydrophobicContact CD1-CG1 3.89Å; L1619-V1676 HydrophobicContact CD1-CG2 4.18Å; L1619-W1688 HydrophobicContact CB-CD2 4.36Å; L1619-W1688 HydrophobicContact CB-CG 4.41Å; L1619-W1688 HydrophobicContact CD1-CB 4.22Å; L1619-W1688 HydrophobicContact CD1-CD2 4.09Å; L1619-W1688 HydrophobicContact CD1-CE3 4.24Å; L1619-W1688 HydrophobicContact CD1-CG 4.08Å; L1619-W1688 HydrophobicContact CD2-CB 4.19Å; L1619-W1688 HydrophobicContact CD2-CG 4.13Å; L1619-W1688 HydrophobicContact CG-CG 4.45Å; L1619-L1690 HydrophobicContact CD1-CD1 4.37Å; L1619-L1690 HydrophobicContact CD2-CD1 4.06Å; L1619-L1690 HydrophobicContact CD2-CD2 3.89Å; L1619-L1690 HydrophobicContact CD2-CG 4.22Å; L1619-I1702 HydrophobicContact CD2-CD1 3.94Å |
| 1620 | L | 53.7 | Low | 39.3 | Very low | 112 Ų | 112 | 97.3 Ų | 97.3 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 142.6 | 175.5 | -64.8 | 166.5 | 0 | 0 | 0 | 109.6 | H1618 | H1618-L1620 PolarHBondContact O-N 3.27Š|
| 1621 | A | 49.8 | Very low | 38.5 | Very low | 44 Ų | 44 | 103.1 Ų | 103.1 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 130.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K1686 | A1621-K1686 HydrophobicContact CB-CD 4.45Š|
| 1622 | S | 39 | Very low | 37.9 | Very low | 40 Ų | 40 | 105.1 Ų | 105.1 | 28% | 0.28 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 117.2 | 175 | 60 | 0 | 0 | 0 | 0 | 111.1 | H1624 | S1622-H1624 PolarHBondContact O-N 3.25Š|
| 1623 | D | 32.7 | Very low | 36.9 | Very low | 123 Ų | 123 | 114 Ų | 114 | 66% | 0.658 | 58% | 0.579 | S | S | * | * | trans | -72.3 | 85.8 | 173.3 | -77.1 | -28 | 0 | 0 | 0 | 111 | N1625 | D1623-N1625 PolarHBondContact O-N 3.04Š| ||
| 1624 | H | 25.9 | Very low | 35.8 | Very low | 160 Ų | 160 | 117.5 Ų | 117.5 | 74% | 0.741 | 59% | 0.59 | S | S | * | * | trans | -76.3 | 72.7 | 169.4 | -89.5 | -58.2 | 0 | 0 | 0 | 111 | S1622 | S1622-H1624 PolarHBondContact O-N 3.25Š| ||
| 1625 | N | 24.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 88% | 0.877 | 61% | 0.614 | S | S | * | * | trans | -121 | 14.3 | 162.8 | -100.7 | -15.3 | 0 | 0 | 0 | 113.6 | D1623 | D1623-N1625 PolarHBondContact O-N 3.04Š| ||
| 1626 | L | 25.6 | Very low | 33.7 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 64% | 0.636 | S | S | * | * | trans | -101.7 | 84.9 | 170.8 | -77.4 | 154.1 | 0 | 0 | 0 | 109.4 | ||||
| 1627 | N | 24 | Very low | 32 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | trans | -176.1 | 63.8 | 156.7 | -91.4 | -25.8 | 0 | 0 | 0 | 112.3 | ||||
| 1628 | K | 23.3 | Very low | 30.3 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | trans | -131.5 | 95.1 | 143.8 | -79.8 | -178.3 | 179.1 | 174.2 | 0 | 104 | ||||
| 1629 | T | 22.8 | Very low | 28.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | -176.7 | 146.4 | 92.5 | 33.3 | 0 | 0 | 0 | 0 | 108 | |||||
| 1630 | N | 22 | Very low | 26.6 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -66.8 | 151 | -171.3 | -68.5 | -28.2 | 0 | 0 | 0 | 113.7 | ||||
| 1631 | N | 22.7 | Very low | 25.1 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | 52.9 | 98.5 | 150.9 | -60.3 | -9.2 | 0 | 0 | 0 | 117.6 | ||||
| 1632 | E | 22.2 | Very low | 23.7 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | -176.3 | 120.9 | 118.6 | -99.4 | 178.6 | -160.7 | 0 | 0 | 109.4 | K1634 | E1632-K1634 PolarHBondContact O-N 3.21Å; E1632-K1634 VanDerWaalsContact O-N 3.08Å | |||
| 1633 | E | 20.7 | Very low | 23 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -62.3 | 103.6 | 174.7 | -67.6 | 179.6 | 151.2 | 0 | 0 | 110.7 | ||||
| 1634 | K | 20.5 | Very low | 22.5 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | trans | -133.2 | 118.5 | 157.2 | -76 | -173.6 | -179.1 | 163.9 | 0 | 111 | E1632 Y1636 | E1632-K1634 PolarHBondContact O-N 3.21Å; E1632-K1634 VanDerWaalsContact O-N 3.08Å; K1634-Y1636 HydrophobicContact CB-CE2 4.41Å; K1634-Y1636 WeakPolarHBondContact O-CD2 3.4Å; K1634-Y1636 PolarHBondContact O-N 3.13Å | ||
| 1635 | K | 21.4 | Very low | 22.5 | Very low | 210 Ų | 210 | 146.7 Ų | 146.7 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -44.6 | 117.7 | 172.8 | -67.1 | 170 | 175.1 | 175.7 | 0 | 110.9 | ||||
| 1636 | Y | 22.9 | Very low | 22.7 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -123.6 | 113.6 | 163 | -80.6 | -79 | 0 | 0 | 0 | 110.6 | K1634 | K1634-Y1636 HydrophobicContact CB-CE2 4.41Å; K1634-Y1636 WeakPolarHBondContact O-CD2 3.4Å; K1634-Y1636 PolarHBondContact O-N 3.13Å | ||
| 1637 | S | 20.4 | Very low | 23 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -71.1 | 124.3 | 167.1 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1638 | S | 22.3 | Very low | 24.2 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 24.9 | 95.3 | 142.1 | 61.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1639 | S | 20.6 | Very low | 25.5 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -149.6 | 109.3 | 149.9 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1640 | S | 22 | Very low | 27.3 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | 38.9 | 91.8 | 150.5 | 57.4 | 0 | 0 | 0 | 0 | 118.5 | S1642 | S1640-S1642 PolarHBondContact O-N 2.67Š| ||
| 1641 | L | 21.5 | Very low | 29.2 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 94% | 0.937 | 69% | 0.688 | S | S | * | * | trans | -67.7 | 108.2 | 154.7 | -86.5 | 88.6 | 0 | 0 | 0 | 109 | ||||
| 1642 | S | 21.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | trans | -63.3 | 126.9 | 161.9 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | S1640 S1644 | S1640-S1642 PolarHBondContact O-N 2.67Å; S1642-S1644 PolarHBondContact O-N 3.16Å; S1642-S1644 VanDerWaalsContact O-N 3.12Å | ||
| 1643 | S | 23.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 116 Ų | 116 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | trans | -56.6 | 103.7 | -177.5 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | S1645 | S1643-S1645 PolarHBondContact O-N 3.42Š| ||
| 1644 | S | 22.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 107 Ų | 107 | 69% | 0.685 | 60% | 0.598 | S | S | * | * | trans | -71.2 | 119 | 164.3 | 53 | 0 | 0 | 0 | 0 | 109.7 | S1642 T1646 | S1642-S1644 PolarHBondContact O-N 3.16Å; S1642-S1644 VanDerWaalsContact O-N 3.12Å; S1644-T1646 PolarHBondContact O-N 3.38Å; S1644-T1646 VanDerWaalsContact O-N 3.11Å | ||
| 1645 | S | 25.9 | Very low | 37.2 | Very low | 88 Ų | 88 | 101.2 Ų | 101.2 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | trans | -66.8 | 98 | -179.5 | 41.9 | 0 | 0 | 0 | 0 | 112 | S1643 L1647 | S1643-S1645 PolarHBondContact O-N 3.42Å; S1645-L1647 PolarHBondContact O-N 3.4Å | ||
| 1646 | T | 29.5 | Very low | 39.3 | Very low | 76 Ų | 76 | 92.1 Ų | 92.1 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | trans | -71.2 | 115 | 170.7 | 52.3 | 0 | 0 | 0 | 0 | 109.6 | S1644 H1648 | S1644-T1646 PolarHBondContact O-N 3.38Å; S1644-T1646 VanDerWaalsContact O-N 3.11Å; T1646-H1648 PolarHBondContact O-CD2 3.15Å; T1646-H1648 PolarHBondContact O-N 3.38Å | ||
| 1647 | L | 32 | Very low | 41.4 | Very low | 148 Ų | 148 | 85.8 Ų | 85.8 | 78% | 0.775 | 51% | 0.51 | S | S | * | . | trans | -47.5 | 112.6 | 169.1 | -84 | 131.3 | 0 | 0 | 0 | 110.4 | S1645 D1649 P1738 | S1645-L1647 PolarHBondContact O-N 3.4Å; L1647-D1649 PolarHBondContact O-N 3.08Å; L1647-D1649 VanDerWaalsContact O-N 3.1Å; L1647-P1738 HydrophobicContact CD1-CB 4.22Å | ||
| 1648 | H | 48.4 | Very low | 43.5 | Very low | 122 Ų | 122 | 83.2 Ų | 83.2 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | trans | -80.3 | 90.4 | -178.9 | -69.5 | -67 | 0 | 0 | 0 | 110.4 | T1595 T1646 | T1595-H1648 PolarHBondContact O-ND1 3.31Å; T1595-H1648 VanDerWaalsContact O-ND1 3.13Å; T1646-H1648 PolarHBondContact O-CD2 3.15Å; T1646-H1648 PolarHBondContact O-N 3.38Å | ||
| 1649 | D | 51.9 | Low | 45.2 | Very low | 44 Ų | 44 | 78.9 Ų | 78.9 | 24% | 0.235 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 143.4 | 172.8 | -165.7 | 3.7 | 0 | 0 | 0 | 111 | G1596 L1647 Y1680 G1681 S1682 | G1596-D1649 VanDerWaalsContact CA-O 3.26Å; G1596-D1649 WeakPolarHBondContact CA-O 3.36Å; L1647-D1649 PolarHBondContact O-N 3.08Å; L1647-D1649 VanDerWaalsContact O-N 3.1Å; D1649-Y1680 HydrophobicContact CB-CD1 3.83Å; D1649-Y1680 HydrophobicContact CB-CG 4.4Å; D1649-Y1680 VanDerWaalsContact O-CD1 3.3Å; D1649-Y1680 WeakPolarHBondContact O-CD1 3.48Å; D1649-Y1680 WeakPolarHBondContact OD2-CB 3.43Å; D1649-G1681 WeakPolarHBondContact OD1-CA 3.33Å; D1649-G1681 PolarHBondContact OD1-N 3.05Å; D1649-G1681 VanDerWaalsContact OD1-N 3.15Å; D1649-S1682 PolarHBondContact OD1-N 3.4Å; D1649-S1682 VanDerWaalsContact OD1-N 3.07Å; D1649-S1682 WeakPolarHBondContact OD2-CB 3.2Å; D1649-S1682 PolarHBondContact OD2-N 3.2Å; D1649-S1682 PolarHBondContact OD2-OG 2.72Å |
| 1650 | H | 59.4 | Low | 46.9 | Very low | 100 Ų | 100 | 79.8 Ų | 79.8 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 132.4 | -176.5 | -66.5 | -40.4 | 0 | 0 | 0 | 111.3 | N1594 L1652 Y1680 G1681 | N1594-H1650 PolarHBondContact O-CE1 2.84Å; N1594-H1650 PolarHBondContact O-ND1 2.7Å; H1650-L1652 PolarHBondContact O-N 3.04Å; H1650-Y1680 CarbonylContact O-C 3.59Å; H1650-Y1680 VanDerWaalsContact O-CA 3.29Å; H1650-Y1680 WeakPolarHBondContact O-CA 3.48Å; H1650-G1681 PolarHBondContact O-N 3.04Å |
| 1651 | I | 61.9 | Low | 48.1 | Very low | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 117.3 | 173.9 | -63.1 | 156.5 | 0 | 0 | 0 | 108.9 | T1578 G1596 V1598 L1654 Y1680 | T1578-I1651 WeakPolarHBondContact CB-O 3.27Å; T1578-I1651 PolarHBondContact OG1-O 3.3Å; G1596-I1651 VanDerWaalsContact C-CD1 3.47Å; G1596-I1651 WeakPolarHBondContact O-CD1 3.39Å; V1598-I1651 HydrophobicContact CG2-CD1 3.45Å; V1598-I1651 VanDerWaalsContact CG2-CD1 3.45Å; V1598-I1651 HydrophobicContact CG2-CG1 4.47Å; I1651-L1654 HydrophobicContact CG2-CD2 4.25Å; I1651-L1654 HydrophobicContact CG2-CG 3.94Å; I1651-Y1680 HydrophobicContact CD1-CE1 4.14Å; I1651-Y1680 HydrophobicContact CG1-CD1 3.79Å; I1651-Y1680 HydrophobicContact CG1-CE1 3.34Å; I1651-Y1680 HydrophobicContact CG1-CE2 4.35Å; I1651-Y1680 HydrophobicContact CG1-CG 4.49Å |
| 1652 | L | 59.7 | Low | 48.6 | Very low | 52 Ų | 52 | 72.6 Ų | 72.6 | 27% | 0.272 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -44.6 | 176.4 | -64.3 | 178 | 0 | 0 | 0 | 111.4 | H1650 V1679 V1753 | H1650-L1652 PolarHBondContact O-N 3.04Å; L1652-V1679 PolarHBondContact N-O 3.34Å; L1652-V1753 HydrophobicContact CD1-CB 4.2Å; L1652-V1753 HydrophobicContact CD1-CG1 4.45Å |
| 1653 | H | 60.9 | Low | 49.1 | Very low | 72 Ų | 72 | 70.3 Ų | 70.3 | 33% | 0.333 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 146.9 | -175.1 | -60 | -63.5 | 0 | 0 | 0 | 112 | V1679 S1756 | H1653-V1679 HydrophobicContact CB-CB 4.37Å; H1653-V1679 PolarHBondContact N-O 3.25Å; H1653-V1679 PolarHBondContact O-N 3.23Å; H1653-S1756 PolarHBondContact CD2-OG 3.2Å |
| 1654 | L | 65.8 | Low | 49.4 | Very low | 9 Ų | 9 | 72.4 Ų | 72.4 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.3 | 173.8 | -78.5 | 172.3 | 0 | 0 | 0 | 110.5 | A1579 S1581 G1592 V1598 I1651 V1676 V1677 | A1579-L1654 HydrophobicContact CB-CB 4.37Å; A1579-L1654 HydrophobicContact CB-CD1 4.37Å; A1579-L1654 HydrophobicContact CB-CG 4.3Å; S1581-L1654 WeakPolarHBondContact CB-O 3.25Å; G1592-L1654 VanDerWaalsContact CA-CD1 3.49Å; V1598-L1654 HydrophobicContact CG1-CD1 4.17Å; V1598-L1654 HydrophobicContact CG1-CD2 3.95Å; V1598-L1654 HydrophobicContact CG2-CD2 3.84Å; I1651-L1654 HydrophobicContact CG2-CD2 4.25Å; I1651-L1654 HydrophobicContact CG2-CG 3.94Å; L1654-V1676 HydrophobicContact CD2-CG1 4.33Å; L1654-V1677 WeakPolarHBondContact CA-O 3.45Å |
| 1655 | H | 67.2 | Low | 49.9 | Very low | 38 Ų | 38 | 70.9 Ų | 70.9 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.3 | 171.5 | -59.9 | -86 | 0 | 0 | 0 | 109.9 | V1676 V1677 | H1655-V1676 CarbonylContact O-C 3.57Å; H1655-V1676 WeakPolarHBondContact O-CA 3.3Å; H1655-V1677 HydrophobicContact CB-CB 4.38Å; H1655-V1677 PolarHBondContact N-O 3Å; H1655-V1677 PolarHBondContact O-N 2.8Å |
| 1656 | T | 67.1 | Low | 50.4 | Low | 18 Ų | 18 | 74.8 Ų | 74.8 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.4 | 176.2 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | S1581 F1582 A1590 I1675 V1676 | S1581-T1656 PolarHBondContact OG-N 3.43Å; S1581-T1656 PolarHBondContact OG-OG1 3.33Å; F1582-T1656 PolarHBondContact O-OG1 2.8Å; F1582-T1656 VanDerWaalsContact O-OG1 3.05Å; A1590-T1656 HydrophobicContact CB-CG2 3.73Å; T1656-I1675 CarbonylContact C-O 3.56Å; T1656-I1675 VanDerWaalsContact CA-O 3.25Å; T1656-I1675 WeakPolarHBondContact CA-O 3.44Å; T1656-V1676 HydrophobicContact CG2-CG1 4.28Å; T1656-V1676 HydrophobicContact CG2-CG2 4.02Å |
| 1657 | W | 66.3 | Low | 50.9 | Low | 81 Ų | 81 | 79 Ų | 79 | 31% | 0.307 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 155.8 | -175.2 | -57.7 | 90.3 | 0 | 0 | 0 | 111.3 | L1674 I1675 L1760 | W1657-L1674 CarbonylContact O-C 3.57Å; W1657-L1674 WeakPolarHBondContact O-CA 3.29Å; W1657-I1675 HydrophobicContact CB-CB 4.32Å; W1657-I1675 PolarHBondContact N-O 3.27Å; W1657-I1675 PolarHBondContact O-N 3.1Å; W1657-L1760 HydrophobicContact CZ3-CB 4.29Å |
| 1658 | M | 63.7 | Low | 51 | Low | 47 Ų | 47 | 74.9 Ų | 74.9 | 23% | 0.232 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.2 | 167.9 | -68.9 | -66 | -78.7 | 0 | 0 | 112.6 | W1583 K1672 L1673 L1674 | W1583-M1658 VanDerWaalsContact CD1-CG 3.42Å; W1583-M1658 HydrophobicContact CD2-CG 4.23Å; W1583-M1658 HydrophobicContact CD2-SD 4.43Å; W1583-M1658 HydrophobicContact CG-CG 4.32Å; W1583-M1658 HydrophobicContact CH2-CE 4.26Å; W1583-M1658 HydrophobicContact CZ2-CE 3.76Å; W1583-M1658 HydrophobicContact CZ2-CG 3.55Å; W1583-M1658 HydrophobicContact CZ2-SD 3.99Å; M1658-K1672 HydrophobicContact CE-CB 3.41Å; M1658-K1672 VanDerWaalsContact CE-CB 3.41Å; M1658-K1672 HydrophobicContact CE-CD 4.09Å; M1658-K1672 HydrophobicContact CE-CG 4Å; M1658-L1673 CarbonylContact C-O 3.58Å; M1658-L1673 VanDerWaalsContact CA-O 3.29Å; M1658-L1673 WeakPolarHBondContact CA-O 3.32Å; M1658-L1674 HydrophobicContact CG-CD1 4.46Å; M1658-L1674 WeakPolarHBondContact SD-CA 3.44Å; M1658-L1674 HydrophobicContact SD-CB 3.55Å; M1658-L1674 VanDerWaalsContact SD-CB 3.55Å; M1658-L1674 HydrophobicContact SD-CD1 3.63Å; M1658-L1674 HydrophobicContact SD-CG 4.21Å |
| 1659 | H | 58.8 | Low | 50.6 | Low | 28 Ų | 28 | 78.4 Ų | 78.4 | 13% | 0.13 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.8 | 163 | -160.3 | 57.2 | 0 | 0 | 0 | 108.3 | D1661 L1673 I1675 | H1659-D1661 IonicContact CD2-OD1 3.4Å; H1659-D1661 PolarHBondContact CD2-OD1 3.4Å; H1659-L1673 HydrophobicContact CB-CB 4.18Å; H1659-L1673 HydrophobicContact CB-CD2 4.22Å; H1659-L1673 PolarHBondContact N-O 3.26Å; H1659-L1673 WeakPolarHBondContact O-CB 3.32Å; H1659-L1673 PolarHBondContact O-N 2.87Å; H1659-I1675 HydrophobicContact CB-CD1 4.35Å |
| 1660 | E | 55.7 | Low | 50 | Low | 123 Ų | 123 | 82.6 Ų | 82.6 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 112.6 | 171.3 | -67.4 | -176.4 | 156.3 | 0 | 0 | 107.2 | C1662 K1672 | E1660-C1662 PolarHBondContact O-N 2.81Å; E1660-K1672 HydrophobicContact CG-CG 4.3Å; E1660-K1672 VanDerWaalsContact OE1-CE 3.23Å; E1660-K1672 WeakPolarHBondContact OE1-CE 3.34Å; E1660-K1672 IonicContact OE1-NZ 3.94Å |
| 1661 | D | 46.7 | Very low | 49.2 | Very low | 56 Ų | 56 | 80.3 Ų | 80.3 | 30% | 0.299 | 42% | 0.42 | S | S | . | . | trans | -70.1 | 117.5 | 173.6 | -70.8 | -18.2 | 0 | 0 | 0 | 108 | H1659 T1663 | H1659-D1661 IonicContact CD2-OD1 3.4Å; H1659-D1661 PolarHBondContact CD2-OD1 3.4Å; D1661-T1663 HydrophobicContact CB-CG2 4.5Å; D1661-T1663 PolarHBondContact O-N 3.01Å | ||
| 1662 | C | 32.6 | Very low | 48.9 | Very low | 88 Ų | 88 | 83.1 Ų | 83.1 | 60% | 0.595 | 43% | 0.432 | S | S | * | . | trans | -78.6 | 78.5 | 179.8 | -74.5 | 0 | 0 | 0 | 0 | 110.8 | E1660 E1664 | E1660-C1662 PolarHBondContact O-N 2.81Å; C1662-E1664 PolarHBondContact O-N 3.36Å | ||
| 1663 | T | 33 | Very low | 49 | Very low | 63 Ų | 63 | 82 Ų | 82 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | trans | -78 | 100.4 | -177.9 | 49.6 | 0 | 0 | 0 | 0 | 113 | D1661 S1665 | D1661-T1663 HydrophobicContact CB-CG2 4.5Å; D1661-T1663 PolarHBondContact O-N 3.01Å; T1663-S1665 PolarHBondContact O-N 3.36Å | ||
| 1664 | E | 29.5 | Very low | 49.3 | Very low | 168 Ų | 168 | 78.9 Ų | 78.9 | 79% | 0.785 | 41% | 0.412 | S | S | * | . | trans | -72.3 | 75.1 | 154.4 | -82.6 | 174.7 | -146.9 | 0 | 0 | 109.5 | C1662 K1786 | C1662-E1664 PolarHBondContact O-N 3.36Å; E1664-K1786 IonicContact OE1-NZ 3.57Å; E1664-K1786 PolarHBondContact OE1-NZ 2.76Å | ||
| 1665 | S | 31.9 | Very low | 49.5 | Very low | 66 Ų | 66 | 78.8 Ų | 78.8 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | trans | -154 | 113.2 | 160.8 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | T1663 D1667 S1668 | T1663-S1665 PolarHBondContact O-N 3.36Å; S1665-D1667 PolarHBondContact O-N 2.85Å; S1665-S1668 PolarHBondContact O-N 3.48Å; S1665-S1668 PolarHBondContact OG-OG 2.9Å | ||
| 1666 | I | 37.3 | Very low | 49.7 | Very low | 169 Ų | 169 | 77 Ų | 77 | 87% | 0.867 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -2.1 | -158.5 | -75.9 | 166.2 | 0 | 0 | 0 | 116 | ||
| 1667 | D | 38.5 | Very low | 49.8 | Very low | 164 Ų | 164 | 76.2 Ų | 76.2 | 88% | 0.877 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | 15.1 | -175.5 | -69.3 | -43.4 | 0 | 0 | 0 | 116.4 | S1665 | S1665-D1667 PolarHBondContact O-N 2.85Š|
| 1668 | S | 34.3 | Very low | 50.1 | Low | 62 Ų | 62 | 72.3 Ų | 72.3 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -122.8 | 114.7 | 175.1 | 62 | 0 | 0 | 0 | 0 | 112.8 | S1665 | S1665-S1668 PolarHBondContact O-N 3.48Å; S1665-S1668 PolarHBondContact OG-OG 2.9Å |
| 1669 | K | 39.9 | Very low | 50.4 | Low | 197 Ų | 197 | 70.1 Ų | 70.1 | 86% | 0.857 | 37% | 0.372 | S | S | * | . | trans | -49.7 | 134.5 | 177.1 | -71.3 | 178.7 | 173.4 | -179.3 | 0 | 112.8 | C1671 | K1669-C1671 PolarHBondContact O-N 3.21Š| ||
| 1670 | D | 39.8 | Very low | 50.9 | Low | 131 Ų | 131 | 69.3 Ų | 69.3 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | trans | -39.3 | 110.5 | 178.6 | -57.4 | -38.3 | 0 | 0 | 0 | 113.3 | ||||
| 1671 | C | 41.8 | Very low | 51.1 | Low | 53 Ų | 53 | 63.9 Ų | 63.9 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | trans | -90 | 115.6 | 174 | -76.6 | 0 | 0 | 0 | 0 | 110 | K1669 | K1669-C1671 PolarHBondContact O-N 3.21Š| ||
| 1672 | K | 56.5 | Low | 51.8 | Low | 61 Ų | 61 | 64.4 Ų | 64.4 | 27% | 0.265 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.2 | 179.2 | -88.5 | -171.8 | -178.6 | -165.9 | 0 | 110 | M1658 E1660 D1692 | M1658-K1672 HydrophobicContact CE-CB 3.41Å; M1658-K1672 VanDerWaalsContact CE-CB 3.41Å; M1658-K1672 HydrophobicContact CE-CD 4.09Å; M1658-K1672 HydrophobicContact CE-CG 4Å; E1660-K1672 HydrophobicContact CG-CG 4.3Å; E1660-K1672 VanDerWaalsContact OE1-CE 3.23Å; E1660-K1672 WeakPolarHBondContact OE1-CE 3.34Å; E1660-K1672 IonicContact OE1-NZ 3.94Å; K1672-D1692 HydrophobicContact CB-CB 4.25Å; K1672-D1692 WeakPolarHBondContact O-CB 3.2Å; K1672-D1692 PolarHBondContact O-N 3.38Å |
| 1673 | L | 62.6 | Low | 52.9 | Low | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.5 | -177.2 | -170.3 | 88.7 | 0 | 0 | 0 | 111.4 | M1658 H1659 I1675 Y1689 L1690 | M1658-L1673 CarbonylContact C-O 3.58Å; M1658-L1673 VanDerWaalsContact CA-O 3.29Å; M1658-L1673 WeakPolarHBondContact CA-O 3.32Å; H1659-L1673 HydrophobicContact CB-CB 4.18Å; H1659-L1673 HydrophobicContact CB-CD2 4.22Å; H1659-L1673 PolarHBondContact N-O 3.26Å; H1659-L1673 WeakPolarHBondContact O-CB 3.32Å; H1659-L1673 PolarHBondContact O-N 2.87Å; L1673-I1675 HydrophobicContact CD2-CG1 4.24Å; L1673-Y1689 HydrophobicContact CD2-CD1 3.83Å; L1673-L1690 CarbonylContact C-O 3.51Å; L1673-L1690 WeakPolarHBondContact CA-O 3.11Å |
| 1674 | L | 66.9 | Low | 54.3 | Low | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.1 | 174 | -178.5 | 72.1 | 0 | 0 | 0 | 110.9 | W1583 W1588 V1600 W1657 M1658 V1676 L1690 | W1583-L1674 HydrophobicContact CB-CD1 4.2Å; W1583-L1674 HydrophobicContact CG-CD1 4.08Å; W1588-L1674 HydrophobicContact CB-CD2 4.1Å; W1588-L1674 HydrophobicContact CD2-CD2 4.14Å; W1588-L1674 HydrophobicContact CE3-CD2 4.15Å; W1588-L1674 HydrophobicContact CG-CD2 4.12Å; V1600-L1674 HydrophobicContact CG1-CD2 4.44Å; W1657-L1674 CarbonylContact O-C 3.57Å; W1657-L1674 WeakPolarHBondContact O-CA 3.29Å; M1658-L1674 HydrophobicContact CG-CD1 4.46Å; M1658-L1674 WeakPolarHBondContact SD-CA 3.44Å; M1658-L1674 HydrophobicContact SD-CB 3.55Å; M1658-L1674 VanDerWaalsContact SD-CB 3.55Å; M1658-L1674 HydrophobicContact SD-CD1 3.63Å; M1658-L1674 HydrophobicContact SD-CG 4.21Å; L1674-V1676 HydrophobicContact CD2-CG2 4.38Å; L1674-V1676 HydrophobicContact CG-CG2 4.31Å; L1674-L1690 HydrophobicContact CB-CB 4.17Å; L1674-L1690 HydrophobicContact CD2-CD1 4.24Å; L1674-L1690 HydrophobicContact CG-CD1 4.47Å; L1674-L1690 PolarHBondContact N-O 2.9Å; L1674-L1690 WeakPolarHBondContact O-CB 3.38Å; L1674-L1690 PolarHBondContact O-N 3.46Å |
| 1675 | I | 68.8 | Low | 55.9 | Low | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.5 | 177.1 | -50 | 180 | 0 | 0 | 0 | 108.6 | T1656 W1657 H1659 L1673 V1677 V1687 W1688 Y1689 L1809 | T1656-I1675 CarbonylContact C-O 3.56Å; T1656-I1675 VanDerWaalsContact CA-O 3.25Å; T1656-I1675 WeakPolarHBondContact CA-O 3.44Å; W1657-I1675 HydrophobicContact CB-CB 4.32Å; W1657-I1675 PolarHBondContact N-O 3.27Å; W1657-I1675 PolarHBondContact O-N 3.1Å; H1659-I1675 HydrophobicContact CB-CD1 4.35Å; L1673-I1675 HydrophobicContact CD2-CG1 4.24Å; I1675-V1677 HydrophobicContact CG2-CG2 4.27Å; I1675-V1687 HydrophobicContact CG2-CG1 3.65Å; I1675-W1688 CarbonylContact C-O 3.48Å; I1675-W1688 VanDerWaalsContact CA-O 3.32Å; I1675-W1688 WeakPolarHBondContact CA-O 3.15Å; I1675-Y1689 HydrophobicContact CD1-CD1 3.97Å; I1675-Y1689 HydrophobicContact CD1-CE1 3.85Å; I1675-Y1689 HydrophobicContact CG1-CD1 3.78Å; I1675-Y1689 HydrophobicContact CG1-CE1 4.12Å; I1675-Y1689 HydrophobicContact CG2-CD1 4.2Å; I1675-Y1689 HydrophobicContact CG2-CE1 4.12Å; I1675-L1809 HydrophobicContact CD1-CD1 4.46Å; I1675-L1809 HydrophobicContact CD1-CD2 3.69Å |
| 1676 | V | 71.4 | Confident | 57.6 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.6 | 175.2 | -178 | 0 | 0 | 0 | 0 | 108.5 | A1590 V1598 V1600 L1619 L1654 H1655 T1656 L1674 V1687 W1688 L1690 | A1590-V1676 HydrophobicContact CB-CG1 4.42Å; V1598-V1676 HydrophobicContact CG1-CG1 4.23Å; V1600-V1676 HydrophobicContact CG2-CG2 4.42Å; L1619-V1676 HydrophobicContact CD1-CB 3.98Å; L1619-V1676 HydrophobicContact CD1-CG1 3.89Å; L1619-V1676 HydrophobicContact CD1-CG2 4.18Å; L1654-V1676 HydrophobicContact CD2-CG1 4.33Å; H1655-V1676 CarbonylContact O-C 3.57Å; H1655-V1676 WeakPolarHBondContact O-CA 3.3Å; T1656-V1676 HydrophobicContact CG2-CG1 4.28Å; T1656-V1676 HydrophobicContact CG2-CG2 4.02Å; L1674-V1676 HydrophobicContact CD2-CG2 4.38Å; L1674-V1676 HydrophobicContact CG-CG2 4.31Å; V1676-V1687 WeakPolarHBondContact O-CA 3.3Å; V1676-W1688 HydrophobicContact CB-CB 4.45Å; V1676-W1688 HydrophobicContact CB-CE3 4.4Å; V1676-W1688 HydrophobicContact CG1-CE3 4.24Å; V1676-W1688 PolarHBondContact N-O 2.91Å; V1676-W1688 PolarHBondContact O-N 3.11Å; V1676-L1690 HydrophobicContact CB-CD1 4.41Å; V1676-L1690 HydrophobicContact CG2-CD1 3.57Å |
| 1677 | V | 70.8 | Confident | 59.2 | Low | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.1 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | L1654 H1655 I1675 V1685 K1686 V1687 | L1654-V1677 WeakPolarHBondContact CA-O 3.45Å; H1655-V1677 HydrophobicContact CB-CB 4.38Å; H1655-V1677 PolarHBondContact N-O 3Å; H1655-V1677 PolarHBondContact O-N 2.8Å; I1675-V1677 HydrophobicContact CG2-CG2 4.27Å; V1677-V1685 HydrophobicContact CG1-CG1 3.5Å; V1677-K1686 CarbonylContact C-O 3.54Å; V1677-K1686 WeakPolarHBondContact CA-O 3.48Å; V1677-V1687 HydrophobicContact CG1-CG2 4.18Å; V1677-V1687 HydrophobicContact CG2-CG1 4.14Å; V1677-V1687 HydrophobicContact CG2-CG2 4.13Å |
| 1678 | G | 72.4 | Confident | 60.8 | Low | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1680 V1685 K1686 | G1678-Y1680 WeakPolarHBondContact O-CD2 3.38Å; G1678-V1685 WeakPolarHBondContact O-CA 3.33Å; G1678-K1686 PolarHBondContact N-O 3.41Å; G1678-K1686 PolarHBondContact O-N 2.61Å |
| 1679 | V | 69 | Low | 62.3 | Low | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.5 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | L1652 H1653 V1685 | L1652-V1679 PolarHBondContact N-O 3.34Å; H1653-V1679 HydrophobicContact CB-CB 4.37Å; H1653-V1679 PolarHBondContact N-O 3.25Å; H1653-V1679 PolarHBondContact O-N 3.23Å; V1679-V1685 HydrophobicContact CG1-CG2 4.3Å; V1679-V1685 HydrophobicContact CG2-CG1 4.3Å; V1679-V1685 HydrophobicContact CG2-CG2 4.15Å |
| 1680 | Y | 69.9 | Low | 63.4 | Low | 12 Ų | 12 | 23.7 Ų | 23.7 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 158.3 | -174.5 | -66.8 | -102.8 | 0 | 0 | 0 | 113 | G1596 D1649 H1650 I1651 G1678 S1682 G1683 C1684 K1686 W1688 | G1596-Y1680 PolarHBondContact O-OH 3.43Å; D1649-Y1680 HydrophobicContact CB-CD1 3.83Å; D1649-Y1680 HydrophobicContact CB-CG 4.4Å; D1649-Y1680 VanDerWaalsContact O-CD1 3.3Å; D1649-Y1680 WeakPolarHBondContact O-CD1 3.48Å; D1649-Y1680 WeakPolarHBondContact OD2-CB 3.43Å; H1650-Y1680 CarbonylContact O-C 3.59Å; H1650-Y1680 VanDerWaalsContact O-CA 3.29Å; H1650-Y1680 WeakPolarHBondContact O-CA 3.48Å; I1651-Y1680 HydrophobicContact CD1-CE1 4.14Å; I1651-Y1680 HydrophobicContact CG1-CD1 3.79Å; I1651-Y1680 HydrophobicContact CG1-CE1 3.34Å; I1651-Y1680 HydrophobicContact CG1-CE2 4.35Å; I1651-Y1680 HydrophobicContact CG1-CG 4.49Å; G1678-Y1680 WeakPolarHBondContact O-CD2 3.38Å; Y1680-S1682 VanDerWaalsContact C-N 3.26Å; Y1680-S1682 PolarHBondContact O-N 2.67Å; Y1680-G1683 PolarHBondContact O-N 3.37Å; Y1680-C1684 WeakPolarHBondContact CB-O 3.49Å; Y1680-C1684 PolarHBondContact N-O 2.74Å; Y1680-K1686 HydrophobicContact CD2-CD 4.48Å; Y1680-K1686 HydrophobicContact CD2-CG 4.14Å; Y1680-K1686 HydrophobicContact CE2-CB 4Å; Y1680-K1686 HydrophobicContact CE2-CD 3.74Å; Y1680-K1686 HydrophobicContact CE2-CG 3.69Å; Y1680-W1688 HydrophobicContact CE2-CH2 4.01Å; Y1680-W1688 WeakPolarHBondContact OH-CH2 3.34Å |
| 1681 | G | 60.4 | Low | 64.3 | Low | 8 Ų | 8 | 19.6 Ų | 19.6 | 8% | 0.082 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1649 H1650 G1683 | D1649-G1681 WeakPolarHBondContact OD1-CA 3.33Å; D1649-G1681 PolarHBondContact OD1-N 3.05Å; D1649-G1681 VanDerWaalsContact OD1-N 3.15Å; H1650-G1681 PolarHBondContact O-N 3.04Å; G1681-G1683 PolarHBondContact O-N 2.94Å |
| 1682 | S | 59.7 | Low | 64.7 | Low | 68 Ų | 68 | 21.2 Ų | 21.2 | 48% | 0.476 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -9.1 | 172.8 | 68 | 0 | 0 | 0 | 0 | 114.4 | D1649 Y1680 C1684 | D1649-S1682 PolarHBondContact OD1-N 3.4Å; D1649-S1682 VanDerWaalsContact OD1-N 3.07Å; D1649-S1682 WeakPolarHBondContact OD2-CB 3.2Å; D1649-S1682 PolarHBondContact OD2-N 3.2Å; D1649-S1682 PolarHBondContact OD2-OG 2.72Å; Y1680-S1682 VanDerWaalsContact C-N 3.26Å; Y1680-S1682 PolarHBondContact O-N 2.67Å; S1682-C1684 WeakPolarHBondContact OG-CB 3.35Å; S1682-C1684 PolarHBondContact OG-N 2.71Å |
| 1683 | G | 55.9 | Low | 64.1 | Low | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 86 | 3.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1680 G1681 P1709 | Y1680-G1683 PolarHBondContact O-N 3.37Å; G1681-G1683 PolarHBondContact O-N 2.94Å; G1683-P1709 VanDerWaalsContact O-CD 3.24Å; G1683-P1709 WeakPolarHBondContact O-CD 3.34Å |
| 1684 | C | 62.5 | Low | 62.8 | Low | 9 Ų | 9 | 22.8 Ų | 22.8 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | trans | -76.4 | 133.8 | 170.8 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | Y1680 S1682 Y1708 | Y1680-C1684 WeakPolarHBondContact CB-O 3.49Å; Y1680-C1684 PolarHBondContact N-O 2.74Å; S1682-C1684 WeakPolarHBondContact OG-CB 3.35Å; S1682-C1684 PolarHBondContact OG-N 2.71Å; C1684-Y1708 HydrophobicContact CB-CD1 4.44Å; C1684-Y1708 HydrophobicContact CB-CE1 3.83Å | ||
| 1685 | V | 63.8 | Low | 61.3 | Low | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.5 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | V1677 G1678 V1679 V1687 N1706 V1707 W1793 | V1677-V1685 HydrophobicContact CG1-CG1 3.5Å; G1678-V1685 WeakPolarHBondContact O-CA 3.33Å; V1679-V1685 HydrophobicContact CG1-CG2 4.3Å; V1679-V1685 HydrophobicContact CG2-CG1 4.3Å; V1679-V1685 HydrophobicContact CG2-CG2 4.15Å; V1685-V1687 HydrophobicContact CG1-CG2 4.46Å; V1685-N1706 WeakPolarHBondContact O-CA 3.29Å; V1685-V1707 WeakPolarHBondContact CB-O 3.25Å; V1685-V1707 PolarHBondContact N-O 2.92Å; V1685-V1707 PolarHBondContact O-N 3.26Å; V1685-W1793 HydrophobicContact CG2-CD2 4.35Å; V1685-W1793 HydrophobicContact CG2-CH2 3.84Å; V1685-W1793 HydrophobicContact CG2-CZ2 3.16Å |
| 1686 | K | 68 | Low | 59.5 | Low | 48 Ų | 48 | 38.8 Ų | 38.8 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.3 | 176 | -57.6 | -166.5 | 177.7 | 174.1 | 0 | 110 | A1621 V1677 G1678 Y1680 W1688 N1706 | A1621-K1686 HydrophobicContact CB-CD 4.45Å; V1677-K1686 CarbonylContact C-O 3.54Å; V1677-K1686 WeakPolarHBondContact CA-O 3.48Å; G1678-K1686 PolarHBondContact N-O 3.41Å; G1678-K1686 PolarHBondContact O-N 2.61Å; Y1680-K1686 HydrophobicContact CD2-CD 4.48Å; Y1680-K1686 HydrophobicContact CD2-CG 4.14Å; Y1680-K1686 HydrophobicContact CE2-CB 4Å; Y1680-K1686 HydrophobicContact CE2-CD 3.74Å; Y1680-K1686 HydrophobicContact CE2-CG 3.69Å; K1686-W1688 HydrophobicContact CB-CE3 4.41Å; K1686-W1688 HydrophobicContact CB-CH2 3.44Å; K1686-W1688 VanDerWaalsContact CB-CH2 3.44Å; K1686-W1688 HydrophobicContact CB-CZ2 3.69Å; K1686-W1688 HydrophobicContact CB-CZ3 3.84Å; K1686-W1688 HydrophobicContact CD-CH2 4.13Å; K1686-W1688 HydrophobicContact CD-CZ2 3.9Å; K1686-W1688 HydrophobicContact CG-CH2 4.33Å; K1686-W1688 HydrophobicContact CG-CZ2 4.43Å; K1686-W1688 WeakPolarHBondContact O-CZ3 3.28Å; K1686-N1706 WeakPolarHBondContact CG-OD1 3.42Å |
| 1687 | V | 70 | Confident | 57.8 | Low | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.8 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | I1675 V1676 V1677 V1685 Y1689 C1704 V1705 | I1675-V1687 HydrophobicContact CG2-CG1 3.65Å; V1676-V1687 WeakPolarHBondContact O-CA 3.3Å; V1677-V1687 HydrophobicContact CG1-CG2 4.18Å; V1677-V1687 HydrophobicContact CG2-CG1 4.14Å; V1677-V1687 HydrophobicContact CG2-CG2 4.13Å; V1685-V1687 HydrophobicContact CG1-CG2 4.46Å; V1687-Y1689 HydrophobicContact CB-CE2 4.45Å; V1687-Y1689 HydrophobicContact CG1-CD2 4.43Å; V1687-Y1689 HydrophobicContact CG1-CE1 4.29Å; V1687-Y1689 HydrophobicContact CG1-CE2 3.77Å; V1687-C1704 CarbonylContact O-C 3.52Å; V1687-C1704 VanDerWaalsContact O-CA 3.31Å; V1687-C1704 WeakPolarHBondContact O-CA 3.42Å; V1687-V1705 PolarHBondContact N-O 2.79Å; V1687-V1705 PolarHBondContact O-N 3.35Å |
| 1688 | W | 71.8 | Confident | 56.2 | Low | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.4 | 176.2 | -62.1 | -90.4 | 0 | 0 | 0 | 110.5 | V1598 L1619 I1675 V1676 Y1680 K1686 | V1598-W1688 HydrophobicContact CG2-CH2 4.06Å; V1598-W1688 HydrophobicContact CG2-CZ3 4.21Å; L1619-W1688 HydrophobicContact CB-CD2 4.36Å; L1619-W1688 HydrophobicContact CB-CG 4.41Å; L1619-W1688 HydrophobicContact CD1-CB 4.22Å; L1619-W1688 HydrophobicContact CD1-CD2 4.09Å; L1619-W1688 HydrophobicContact CD1-CE3 4.24Å; L1619-W1688 HydrophobicContact CD1-CG 4.08Å; L1619-W1688 HydrophobicContact CD2-CB 4.19Å; L1619-W1688 HydrophobicContact CD2-CG 4.13Å; L1619-W1688 HydrophobicContact CG-CG 4.45Å; I1675-W1688 CarbonylContact C-O 3.48Å; I1675-W1688 VanDerWaalsContact CA-O 3.32Å; I1675-W1688 WeakPolarHBondContact CA-O 3.15Å; V1676-W1688 HydrophobicContact CB-CB 4.45Å; V1676-W1688 HydrophobicContact CB-CE3 4.4Å; V1676-W1688 HydrophobicContact CG1-CE3 4.24Å; V1676-W1688 PolarHBondContact N-O 2.91Å; V1676-W1688 PolarHBondContact O-N 3.11Å; Y1680-W1688 HydrophobicContact CE2-CH2 4.01Å; Y1680-W1688 WeakPolarHBondContact OH-CH2 3.34Å; K1686-W1688 HydrophobicContact CB-CE3 4.41Å; K1686-W1688 HydrophobicContact CB-CH2 3.44Å; K1686-W1688 VanDerWaalsContact CB-CH2 3.44Å; K1686-W1688 HydrophobicContact CB-CZ2 3.69Å; K1686-W1688 HydrophobicContact CB-CZ3 3.84Å; K1686-W1688 HydrophobicContact CD-CH2 4.13Å; K1686-W1688 HydrophobicContact CD-CZ2 3.9Å; K1686-W1688 HydrophobicContact CG-CH2 4.33Å; K1686-W1688 HydrophobicContact CG-CZ2 4.43Å; K1686-W1688 WeakPolarHBondContact O-CZ3 3.28Å |
| 1689 | Y | 65.7 | Low | 54.3 | Low | 41 Ų | 41 | 51.6 Ų | 51.6 | 16% | 0.161 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.4 | 175.3 | -56 | -94.5 | 0 | 0 | 0 | 109.6 | L1673 I1675 V1687 I1702 P1703 V1705 | L1673-Y1689 HydrophobicContact CD2-CD1 3.83Å; I1675-Y1689 HydrophobicContact CD1-CD1 3.97Å; I1675-Y1689 HydrophobicContact CD1-CE1 3.85Å; I1675-Y1689 HydrophobicContact CG1-CD1 3.78Å; I1675-Y1689 HydrophobicContact CG1-CE1 4.12Å; I1675-Y1689 HydrophobicContact CG2-CD1 4.2Å; I1675-Y1689 HydrophobicContact CG2-CE1 4.12Å; V1687-Y1689 HydrophobicContact CB-CE2 4.45Å; V1687-Y1689 HydrophobicContact CG1-CD2 4.43Å; V1687-Y1689 HydrophobicContact CG1-CE1 4.29Å; V1687-Y1689 HydrophobicContact CG1-CE2 3.77Å; Y1689-I1702 WeakPolarHBondContact O-CG2 3.32Å; Y1689-P1703 PolarHBondContact N-O 3.26Å; Y1689-V1705 HydrophobicContact CE2-CG2 4.07Å |
| 1690 | L | 64.4 | Low | 52.8 | Low | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 112.1 | -176.9 | -67.4 | 130.3 | 0 | 0 | 0 | 110.1 | L1619 L1673 L1674 V1676 I1697 I1702 | L1619-L1690 HydrophobicContact CD1-CD1 4.37Å; L1619-L1690 HydrophobicContact CD2-CD1 4.06Å; L1619-L1690 HydrophobicContact CD2-CD2 3.89Å; L1619-L1690 HydrophobicContact CD2-CG 4.22Å; L1673-L1690 CarbonylContact C-O 3.51Å; L1673-L1690 WeakPolarHBondContact CA-O 3.11Å; L1674-L1690 HydrophobicContact CB-CB 4.17Å; L1674-L1690 HydrophobicContact CD2-CD1 4.24Å; L1674-L1690 HydrophobicContact CG-CD1 4.47Å; L1674-L1690 PolarHBondContact N-O 2.9Å; L1674-L1690 WeakPolarHBondContact O-CB 3.38Å; L1674-L1690 PolarHBondContact O-N 3.46Å; V1676-L1690 HydrophobicContact CB-CD1 4.41Å; V1676-L1690 HydrophobicContact CG2-CD1 3.57Å; L1690-I1697 HydrophobicContact CD2-CD1 4.36Å; L1690-I1702 HydrophobicContact CD2-CD1 4.38Å |
| 1691 | S | 58.3 | Low | 51.3 | Low | 45 Ų | 45 | 61.1 Ų | 61.1 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 143 | 176 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | A1693 C1694 | S1691-A1693 PolarHBondContact O-N 3.26Å; S1691-C1694 PolarHBondContact O-N 3.48Å; S1691-C1694 PolarHBondContact OG-SG 3.03Å |
| 1692 | D | 50.6 | Low | 50.8 | Low | 88 Ų | 88 | 61.9 Ų | 61.9 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.4 | 177.4 | -140.5 | 5.7 | 0 | 0 | 0 | 113.1 | K1672 C1694 | K1672-D1692 HydrophobicContact CB-CB 4.25Å; K1672-D1692 WeakPolarHBondContact O-CB 3.2Å; K1672-D1692 PolarHBondContact O-N 3.38Å; D1692-C1694 PolarHBondContact O-N 3.13Å; D1692-C1694 VanDerWaalsContact O-N 3.13Å |
| 1693 | A | 42.4 | Very low | 50.2 | Low | 64 Ų | 64 | 62.4 Ų | 62.4 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1691 Y1695 | S1691-A1693 PolarHBondContact O-N 3.26Å; A1693-Y1695 PolarHBondContact O-N 3.25Å |
| 1694 | C | 36 | Very low | 50.3 | Low | 56 Ų | 56 | 63.5 Ų | 63.5 | 38% | 0.378 | 35% | 0.354 | S | S | . | . | trans | -84.1 | 74.8 | -176.6 | -79 | 0 | 0 | 0 | 0 | 112.7 | S1691 D1692 K1696 I1697 | S1691-C1694 PolarHBondContact O-N 3.48Å; S1691-C1694 PolarHBondContact OG-SG 3.03Å; D1692-C1694 PolarHBondContact O-N 3.13Å; D1692-C1694 VanDerWaalsContact O-N 3.13Å; C1694-K1696 PolarHBondContact O-N 3.4Å; C1694-K1696 VanDerWaalsContact O-N 3.11Å; C1694-I1697 HydrophobicContact CB-CD1 3.97Å; C1694-I1697 HydrophobicContact CB-CG1 3.62Å | ||
| 1695 | Y | 35 | Very low | 50 | Low | 179 Ų | 179 | 66.3 Ų | 66.3 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 0.3 | 171.1 | -82.4 | -93 | 0 | 0 | 0 | 114.4 | A1693 | A1693-Y1695 PolarHBondContact O-N 3.25Š|
| 1696 | K | 32.2 | Very low | 49.7 | Very low | 172 Ų | 172 | 70 Ų | 70 | 75% | 0.748 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.3 | 59.8 | 178 | -71.8 | -176.2 | 177.1 | 177 | 0 | 112.9 | C1694 S1698 N1699 | C1694-K1696 PolarHBondContact O-N 3.4Å; C1694-K1696 VanDerWaalsContact O-N 3.11Å; K1696-S1698 PolarHBondContact O-N 3.32Å; K1696-N1699 PolarHBondContact O-N 3.02Å |
| 1697 | I | 35.9 | Very low | 49.1 | Very low | 54 Ų | 54 | 68.6 Ų | 68.6 | 28% | 0.277 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 24.8 | 169.2 | -52.5 | 175.9 | 0 | 0 | 0 | 111.8 | Y1617 L1690 C1694 I1702 | Y1617-I1697 HydrophobicContact CD1-CB 4.24Å; Y1617-I1697 HydrophobicContact CD1-CD1 3.88Å; Y1617-I1697 HydrophobicContact CD1-CG2 4.42Å; Y1617-I1697 HydrophobicContact CE1-CB 4.33Å; Y1617-I1697 HydrophobicContact CE1-CD1 3.74Å; Y1617-I1697 HydrophobicContact CE1-CG1 4.37Å; L1690-I1697 HydrophobicContact CD2-CD1 4.36Å; C1694-I1697 HydrophobicContact CB-CD1 3.97Å; C1694-I1697 HydrophobicContact CB-CG1 3.62Å; I1697-I1702 HydrophobicContact CG2-CD1 3.78Å; I1697-I1702 HydrophobicContact CG2-CG1 4.32Å |
| 1698 | S | 36.5 | Very low | 48.3 | Very low | 102 Ų | 102 | 74.5 Ų | 74.5 | 71% | 0.713 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.5 | 161.8 | 62 | 0 | 0 | 0 | 0 | 112.2 | K1696 | K1696-S1698 PolarHBondContact O-N 3.32Š|
| 1699 | N | 31.6 | Very low | 47.3 | Very low | 115 Ų | 115 | 74.5 Ų | 74.5 | 62% | 0.615 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -89.1 | 121.7 | 174.1 | -95.1 | -3.1 | 0 | 0 | 0 | 111.1 | K1696 T1701 | K1696-N1699 PolarHBondContact O-N 3.02Å; N1699-T1701 PolarHBondContact O-N 3.02Å |
| 1700 | P | 37.1 | Very low | 46.6 | Very low | 98 Ų | 98 | 73 Ų | 73 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -78 | 18.9 | -168.6 | 32.3 | -36.3 | 0 | 0 | 0 | 115.1 | ||
| 1701 | T | 39.1 | Very low | 45.9 | Very low | 113 Ų | 113 | 81 Ų | 81 | 69% | 0.693 | 44% | 0.441 | S | S | * | . | trans | -104.9 | 59.1 | -177.8 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | N1699 | N1699-T1701 PolarHBondContact O-N 3.02Š| ||
| 1702 | I | 50.4 | Low | 45.1 | Very low | 24 Ų | 24 | 81.8 Ų | 81.8 | 12% | 0.123 | 45% | 0.446 | C | S | . | . | trans | -78.7 | 123.7 | 166.7 | -56.9 | 173.1 | 0 | 0 | 0 | 106.6 | L1619 Y1689 L1690 I1697 C1704 | L1619-I1702 HydrophobicContact CD2-CD1 3.94Å; Y1689-I1702 WeakPolarHBondContact O-CG2 3.32Å; L1690-I1702 HydrophobicContact CD2-CD1 4.38Å; I1697-I1702 HydrophobicContact CG2-CD1 3.78Å; I1697-I1702 HydrophobicContact CG2-CG1 4.32Å; I1702-C1704 PolarHBondContact O-N 2.94Å | ||
| 1703 | P | 47.7 | Very low | 44.8 | Very low | 79 Ų | 79 | 78 Ų | 78 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | trans | -61.8 | 113.3 | 179.5 | 23.3 | -30.8 | 0 | 0 | 0 | 109.9 | Y1689 | Y1689-P1703 PolarHBondContact N-O 3.26Š| ||
| 1704 | C | 56.5 | Low | 44.8 | Very low | 25 Ų | 25 | 79 Ų | 79 | 17% | 0.169 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.3 | 174.6 | 180 | 0 | 0 | 0 | 0 | 108.7 | V1687 I1702 | V1687-C1704 CarbonylContact O-C 3.52Å; V1687-C1704 VanDerWaalsContact O-CA 3.31Å; V1687-C1704 WeakPolarHBondContact O-CA 3.42Å; I1702-C1704 PolarHBondContact O-N 2.94Å |
| 1705 | V | 56.3 | Low | 45 | Very low | 68 Ų | 68 | 83.9 Ų | 83.9 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.7 | 176 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | V1687 Y1689 V1707 | V1687-V1705 PolarHBondContact N-O 2.79Å; V1687-V1705 PolarHBondContact O-N 3.35Å; Y1689-V1705 HydrophobicContact CE2-CG2 4.07Å; V1705-V1707 HydrophobicContact CG1-CG2 3.82Å |
| 1706 | N | 58.1 | Low | 45.2 | Very low | 83 Ų | 83 | 79.1 Ų | 79.1 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.5 | 171.6 | -65.2 | -18.3 | 0 | 0 | 0 | 109.1 | V1685 K1686 | V1685-N1706 WeakPolarHBondContact O-CA 3.29Å; K1686-N1706 WeakPolarHBondContact CG-OD1 3.42Å |
| 1707 | V | 54.8 | Low | 45.8 | Very low | 17 Ų | 17 | 72.8 Ų | 72.8 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.1 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 109 | V1685 V1705 L1807 | V1685-V1707 WeakPolarHBondContact CB-O 3.25Å; V1685-V1707 PolarHBondContact N-O 2.92Å; V1685-V1707 PolarHBondContact O-N 3.26Å; V1705-V1707 HydrophobicContact CG1-CG2 3.82Å; V1707-L1807 HydrophobicContact CG1-CD1 4.39Å; V1707-L1807 HydrophobicContact CG1-CD2 4.04Å; V1707-L1807 HydrophobicContact CG2-CD1 4.23Å; V1707-L1807 HydrophobicContact CG2-CD2 3.85Å |
| 1708 | Y | 54.6 | Low | 45.9 | Very low | 127 Ų | 127 | 73.6 Ų | 73.6 | 50% | 0.498 | 41% | 0.411 | S | S | . | . | trans | -98.7 | 145.3 | 174.7 | -64.1 | -81.6 | 0 | 0 | 0 | 111.5 | C1684 R1805 | C1684-Y1708 HydrophobicContact CB-CD1 4.44Å; C1684-Y1708 HydrophobicContact CB-CE1 3.83Å; Y1708-R1805 PolarHBondContact O-NH1 3.11Å | ||
| 1709 | P | 49.5 | Very low | 45.6 | Very low | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.019 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -53.6 | -55.1 | 179.7 | 5.2 | -17.8 | 0 | 0 | 0 | 113.9 | G1683 F1713 W1793 F1803 | G1683-P1709 VanDerWaalsContact O-CD 3.24Å; G1683-P1709 WeakPolarHBondContact O-CD 3.34Å; P1709-F1713 HydrophobicContact CB-CD2 4.34Å; P1709-F1713 HydrophobicContact CB-CG 4.28Å; P1709-F1713 HydrophobicContact CG-CB 4.13Å; P1709-F1713 HydrophobicContact CG-CD1 3.66Å; P1709-F1713 HydrophobicContact CG-CD2 4.12Å; P1709-F1713 HydrophobicContact CG-CE1 4.05Å; P1709-F1713 HydrophobicContact CG-CE2 4.48Å; P1709-F1713 HydrophobicContact CG-CG 3.7Å; P1709-F1713 HydrophobicContact CG-CZ 4.45Å; P1709-W1793 HydrophobicContact CB-CH2 3.59Å; P1709-W1793 HydrophobicContact CB-CZ3 3.48Å; P1709-W1793 VanDerWaalsContact CB-CZ3 3.48Å; P1709-W1793 HydrophobicContact CG-CH2 3.66Å; P1709-W1793 HydrophobicContact CG-CZ3 4.07Å; P1709-F1803 HydrophobicContact CB-CB 4.33Å |
| 1710 | T | 51.8 | Low | 45.6 | Very low | 8 Ų | 8 | 75.3 Ų | 75.3 | 5% | 0.049 | 41% | 0.411 | C | S | . | . | trans | -151.6 | 159.8 | 177.7 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | C1712 F1713 F1803 K1832 | T1710-C1712 PolarHBondContact O-N 2.97Å; T1710-F1713 PolarHBondContact O-N 3.14Å; T1710-F1713 WeakPolarHBondContact OG1-CB 3.47Å; T1710-F1713 PolarHBondContact OG1-N 3.36Å; T1710-F1713 VanDerWaalsContact OG1-N 3.11Å; T1710-F1803 HydrophobicContact CG2-CB 4.33Å; T1710-F1803 HydrophobicContact CG2-CD1 3.95Å; T1710-K1832 VanDerWaalsContact CB-CE 3.45Å; T1710-K1832 HydrophobicContact CG2-CD 4.29Å; T1710-K1832 HydrophobicContact CG2-CG 4.1Å | ||
| 1711 | E | 48.8 | Very low | 45.1 | Very low | 181 Ų | 181 | 79.6 Ų | 79.6 | 85% | 0.846 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.1 | 175.2 | -68.9 | -177.2 | 178.9 | 0 | 0 | 113.4 | ||
| 1712 | C | 41.4 | Very low | 44.5 | Very low | 62 Ų | 62 | 79.2 Ų | 79.2 | 42% | 0.419 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -14.2 | -177.5 | -58.7 | 0 | 0 | 0 | 0 | 113.6 | T1710 P1714 K1715 L1716 | T1710-C1712 PolarHBondContact O-N 2.97Å; C1712-P1714 VanDerWaalsContact C-CD 3.5Å; C1712-K1715 PolarHBondContact O-N 3.31Å; C1712-K1715 VanDerWaalsContact O-N 3.14Å; C1712-L1716 HydrophobicContact CB-CD1 4.04Å; C1712-L1716 PolarHBondContact O-N 3.4Å |
| 1713 | F | 44.8 | Very low | 43.3 | Very low | 7 Ų | 7 | 85.7 Ų | 85.7 | 3% | 0.031 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -53.2 | -43.3 | -172.5 | -169.8 | -102.7 | 0 | 0 | 0 | 114.5 | P1709 T1710 K1715 H1717 V1752 V1753 F1803 | P1709-F1713 HydrophobicContact CB-CD2 4.34Å; P1709-F1713 HydrophobicContact CB-CG 4.28Å; P1709-F1713 HydrophobicContact CG-CB 4.13Å; P1709-F1713 HydrophobicContact CG-CD1 3.66Å; P1709-F1713 HydrophobicContact CG-CD2 4.12Å; P1709-F1713 HydrophobicContact CG-CE1 4.05Å; P1709-F1713 HydrophobicContact CG-CE2 4.48Å; P1709-F1713 HydrophobicContact CG-CG 3.7Å; P1709-F1713 HydrophobicContact CG-CZ 4.45Å; T1710-F1713 PolarHBondContact O-N 3.14Å; T1710-F1713 WeakPolarHBondContact OG1-CB 3.47Å; T1710-F1713 PolarHBondContact OG1-N 3.36Å; T1710-F1713 VanDerWaalsContact OG1-N 3.11Å; F1713-K1715 PolarHBondContact O-N 2.74Å; F1713-H1717 AromaticContact CE2-CD2 3.95Å; F1713-H1717 AromaticContact CE2-NE2 3.59Å; F1713-H1717 AromaticContact CZ-NE2 3.97Å; F1713-H1717 PolarHBondContact O-CD2 3.16Å; F1713-V1752 HydrophobicContact CE1-CG1 4.01Å; F1713-V1752 HydrophobicContact CZ-CG1 4.06Å; F1713-V1753 HydrophobicContact CE1-CG2 4.12Å; F1713-V1753 HydrophobicContact CZ-CG2 3.94Å; F1713-F1803 HydrophobicContact CD2-CB 4.48Å; F1713-F1803 AromaticContact CD2-CD2 3.51Å; F1713-F1803 HydrophobicContact CD2-CD2 3.51Å; F1713-F1803 AromaticContact CD2-CE2 3.75Å; F1713-F1803 HydrophobicContact CD2-CE2 3.75Å; F1713-F1803 AromaticContact CD2-CG 3.93Å; F1713-F1803 HydrophobicContact CD2-CG 3.93Å; F1713-F1803 HydrophobicContact CD2-CZ 4.38Å; F1713-F1803 AromaticContact CE2-CD2 3.42Å; F1713-F1803 HydrophobicContact CE2-CD2 3.42Å; F1713-F1803 VanDerWaalsContact CE2-CD2 3.42Å; F1713-F1803 AromaticContact CE2-CE2 3.76Å; F1713-F1803 HydrophobicContact CE2-CE2 3.76Å; F1713-F1803 HydrophobicContact CE2-CG 4.2Å |
| 1714 | P | 42.8 | Very low | 42.1 | Very low | 87 Ų | 87 | 90 Ų | 90 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.4 | -33.1 | -179.7 | -16.7 | 31 | 0 | 0 | 0 | 113.5 | C1712 | C1712-P1714 VanDerWaalsContact C-CD 3.5Å |
| 1715 | K | 40.3 | Very low | 40.6 | Very low | 157 Ų | 157 | 91.8 Ų | 91.8 | 68% | 0.683 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -74 | -35.9 | -174.6 | -69.6 | -174.9 | 176.3 | -176.6 | 0 | 112.9 | C1712 F1713 H1717 S1718 | C1712-K1715 PolarHBondContact O-N 3.31Å; C1712-K1715 VanDerWaalsContact O-N 3.14Å; F1713-K1715 PolarHBondContact O-N 2.74Å; K1715-H1717 VanDerWaalsContact C-N 3.32Å; K1715-H1717 PolarHBondContact O-N 3.49Å; K1715-S1718 PolarHBondContact O-OG 3.23Å |
| 1716 | L | 39.5 | Very low | 39 | Very low | 79 Ų | 79 | 94.7 Ų | 94.7 | 41% | 0.414 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.1 | -24.1 | -177 | -86.3 | 147.2 | 0 | 0 | 0 | 113.3 | C1712 | C1712-L1716 HydrophobicContact CB-CD1 4.04Å; C1712-L1716 PolarHBondContact O-N 3.4Å |
| 1717 | H | 43.8 | Very low | 37.4 | Very low | 39 Ų | 39 | 97.1 Ų | 97.1 | 18% | 0.181 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -96.7 | -7.7 | 179.5 | -65.2 | -59 | 0 | 0 | 0 | 113.9 | F1713 K1715 V1752 D1799 | F1713-H1717 AromaticContact CE2-CD2 3.95Å; F1713-H1717 AromaticContact CE2-NE2 3.59Å; F1713-H1717 AromaticContact CZ-NE2 3.97Å; F1713-H1717 PolarHBondContact O-CD2 3.16Å; K1715-H1717 VanDerWaalsContact C-N 3.32Å; K1715-H1717 PolarHBondContact O-N 3.49Å; H1717-V1752 HydrophobicContact CB-CG1 3.59Å; H1717-V1752 HydrophobicContact CB-CG2 4.5Å; H1717-V1752 WeakPolarHBondContact CD2-CG1 3.46Å; H1717-V1752 VanDerWaalsContact CG-CG1 3.43Å; H1717-D1799 IonicContact CE1-OD1 2.84Å; H1717-D1799 PolarHBondContact CE1-OD1 3.48Å; H1717-D1799 IonicContact CE1-OD2 3.34Å; H1717-D1799 PolarHBondContact CE1-OD2 3.12Å |
| 1718 | S | 39.3 | Very low | 35.9 | Very low | 72 Ų | 72 | 103.9 Ų | 103.9 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -85 | -31.4 | 174.1 | 57.8 | 0 | 0 | 0 | 0 | 114 | K1715 I1720 | K1715-S1718 PolarHBondContact O-OG 3.23Å; S1718-I1720 VanDerWaalsContact C-N 3.28Å; S1718-I1720 PolarHBondContact O-N 3.39Å; S1718-I1720 VanDerWaalsContact O-N 3.12Å |
| 1719 | D | 30.2 | Very low | 34.3 | Very low | 110 Ų | 110 | 105.2 Ų | 105.2 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -85 | 16.3 | -164.3 | -69.7 | 1.3 | 0 | 0 | 0 | 115.3 | Q1721 | D1719-Q1721 PolarHBondContact O-N 2.94Š|
| 1720 | I | 30.9 | Very low | 33 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 73% | 0.733 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -79.3 | -1.7 | 175.4 | -64.7 | 174.5 | 0 | 0 | 0 | 112.4 | S1718 | S1718-I1720 VanDerWaalsContact C-N 3.28Å; S1718-I1720 PolarHBondContact O-N 3.39Å; S1718-I1720 VanDerWaalsContact O-N 3.12Å |
| 1721 | Q | 27.5 | Very low | 31.6 | Very low | 187 Ų | 187 | 123.6 Ų | 123.6 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -109.5 | 41.3 | 177.3 | -73.7 | -167.3 | -7.8 | 0 | 0 | 115.3 | D1719 | D1719-Q1721 PolarHBondContact O-N 2.94Š|
| 1722 | S | 25.2 | Very low | 30.3 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | trans | 177.2 | 71.3 | 155.5 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1723 | L | 24.9 | Very low | 29.3 | Very low | 159 Ų | 159 | 129 Ų | 129 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -102.4 | 84.4 | 160.1 | -107.6 | 104.4 | 0 | 0 | 0 | 109.1 | ||||
| 1724 | N | 22.3 | Very low | 28.2 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 90% | 0.904 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 178 | 87.9 | 144.1 | -88.9 | -13 | 0 | 0 | 0 | 108.2 | ||
| 1725 | G | 24.9 | Very low | 27.3 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -179.7 | 101.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V1727 | G1725-V1727 PolarHBondContact O-N 2.67Š|
| 1726 | S | 23.6 | Very low | 26.4 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | trans | -53.9 | 119.5 | -178.9 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1727 | V | 24.6 | Very low | 25.5 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -133.7 | 110.8 | 171.1 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | G1725 | G1725-V1727 PolarHBondContact O-N 2.67Š| ||
| 1728 | N | 22.6 | Very low | 24.6 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -59.5 | 139.3 | 164.1 | -82.8 | -27.4 | 0 | 0 | 0 | 110.1 | Q1730 | N1728-Q1730 PolarHBondContact O-N 2.78Š| ||
| 1729 | D | 22.6 | Very low | 23.9 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -37.3 | 123.2 | 171.8 | -72.3 | -50.5 | 0 | 0 | 0 | 114.2 | ||||
| 1730 | Q | 20.8 | Very low | 23.6 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -159.3 | 119.4 | 138.3 | -109.2 | 166.1 | 55 | 0 | 0 | 112.2 | N1728 | N1728-Q1730 PolarHBondContact O-N 2.78Š| ||
| 1731 | K | 22.9 | Very low | 23.3 | Very low | 207 Ų | 207 | 147.5 Ų | 147.5 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | trans | -42.6 | 127.2 | 171 | -65.8 | 163.7 | 175 | 168.8 | 0 | 112.3 | ||||
| 1732 | I | 22.2 | Very low | 23 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -146.8 | 130.8 | 144.4 | -85.7 | 124.6 | 0 | 0 | 0 | 109.2 | ||||
| 1733 | K | 20.5 | Very low | 22.9 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 169.9 | 170.9 | -76.7 | 170.9 | 167 | 176.5 | 0 | 110.1 | ||||
| 1734 | S | 21.7 | Very low | 22.7 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 90.2 | 124.4 | 153.8 | 61.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1735 | D | 22 | Very low | 22.8 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 91.1 | 86.5 | 144.8 | -55.9 | -15.1 | 0 | 0 | 0 | 119.7 | ||||
| 1736 | V | 21.9 | Very low | 22.7 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -97.5 | 113.6 | 162.7 | 177 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1737 | Q | 20.8 | Very low | 22.9 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -91.9 | 143.3 | 168.9 | -85.4 | -173.9 | -19 | 0 | 0 | 111.4 | ||||
| 1738 | P | 25 | Very low | 23.1 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -103.2 | 137.1 | -169.7 | 27.8 | -10.6 | 0 | 0 | 0 | 113.8 | L1647 | L1647-P1738 HydrophobicContact CD1-CB 4.22Š| ||
| 1739 | G | 23.7 | Very low | 23.5 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | -108.9 | 149.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1740 | H | 24.7 | Very low | 24.3 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | trans | -74.6 | 146.8 | -171.9 | -83.9 | -103 | 0 | 0 | 0 | 115.8 | ||||
| 1741 | L | 23.9 | Very low | 25.5 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -134.9 | 139.4 | 178.6 | -90.1 | 160.1 | 0 | 0 | 0 | 113.2 | ||||
| 1742 | S | 21.8 | Very low | 27 | Very low | 55 Ų | 55 | 121.8 Ų | 121.8 | 39% | 0.385 | 68% | 0.68 | S | S | . | * | trans | -99.6 | 156.4 | -179.6 | 36.9 | 0 | 0 | 0 | 0 | 113.4 | D126 S1744 | D126-S1742 PolarHBondContact OD1-OG 3.35Å; S1742-S1744 VanDerWaalsContact C-N 3.35Å; S1742-S1744 PolarHBondContact O-N 3.38Å | ||
| 1743 | D | 23 | Very low | 28.5 | Very low | 177 Ų | 177 | 114 Ų | 114 | 95% | 0.947 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -73.5 | 50.5 | -169.9 | -77.4 | -40.1 | 0 | 0 | 0 | 117 | ||
| 1744 | S | 22.1 | Very low | 30.2 | Very low | 62 Ų | 62 | 107.1 Ų | 107.1 | 43% | 0.434 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -116.3 | 105.1 | 165.8 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | D126 S1742 P1746 | D126-S1744 PolarHBondContact OD2-OG 3.09Å; S1742-S1744 VanDerWaalsContact C-N 3.35Å; S1742-S1744 PolarHBondContact O-N 3.38Å; S1744-P1746 WeakPolarHBondContact O-CD 3.39Å; S1744-P1746 WeakPolarHBondContact O-CG 3.2Å |
| 1745 | F | 23.9 | Very low | 32.1 | Very low | 180 Ų | 180 | 103 Ų | 103 | 79% | 0.789 | 58% | 0.583 | S | S | * | * | trans | -39.1 | 97.2 | -173.6 | -68.9 | -89.6 | 0 | 0 | 0 | 113.7 | ||||
| 1746 | P | 23.2 | Very low | 34 | Very low | 77 Ų | 77 | 96 Ų | 96 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | trans | -81.5 | 136.2 | 175.7 | 7.3 | 10.3 | 0 | 0 | 0 | 107.5 | S1744 N1748 | S1744-P1746 WeakPolarHBondContact O-CD 3.39Å; S1744-P1746 WeakPolarHBondContact O-CG 3.2Å; P1746-N1748 PolarHBondContact O-N 2.76Å | ||
| 1747 | N | 26.8 | Very low | 36.1 | Very low | 168 Ų | 168 | 90 Ų | 90 | 90% | 0.898 | 51% | 0.509 | S | S | * | . | trans | -63.7 | 57.9 | 166.2 | -78.5 | -39.9 | 0 | 0 | 0 | 111 | S1749 | N1747-S1749 VanDerWaalsContact C-N 3.3Å; N1747-S1749 PolarHBondContact O-N 2.74Å | ||
| 1748 | N | 27.8 | Very low | 38.1 | Very low | 101 Ų | 101 | 81.6 Ų | 81.6 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | trans | -71 | 84 | -175.2 | -108.4 | -7.4 | 0 | 0 | 0 | 109.7 | P1746 N1750 | P1746-N1748 PolarHBondContact O-N 2.76Å; N1748-N1750 PolarHBondContact O-N 2.74Å | ||
| 1749 | S | 32.1 | Very low | 39.9 | Very low | 75 Ų | 75 | 79.5 Ų | 79.5 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | trans | -74.2 | 21.6 | 178.8 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | N1747 R1798 | N1747-S1749 VanDerWaalsContact C-N 3.3Å; N1747-S1749 PolarHBondContact O-N 2.74Å; S1749-R1798 PolarHBondContact O-NH1 3.19Å; S1749-R1798 PolarHBondContact O-NH2 3.36Å | ||
| 1750 | N | 39.5 | Very low | 41.7 | Very low | 132 Ų | 132 | 78.2 Ų | 78.2 | 71% | 0.706 | 43% | 0.426 | S | S | * | . | trans | -96.1 | 11.7 | -174.9 | -76.7 | -0.3 | 0 | 0 | 0 | 114.6 | N1748 V1752 | N1748-N1750 PolarHBondContact O-N 2.74Å; N1750-V1752 PolarHBondContact O-N 2.79Å | ||
| 1751 | S | 45.2 | Very low | 43.2 | Very low | 46 Ų | 46 | 72.1 Ų | 72.1 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | trans | -64.1 | 111.7 | 172.3 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | V1753 | S1751-V1753 VanDerWaalsContact C-N 3.33Š| ||
| 1752 | V | 54.2 | Low | 44.6 | Very low | 46 Ų | 46 | 69.1 Ų | 69.1 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | trans | -69.2 | -35.6 | -176.4 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | F1713 H1717 N1750 G1797 | F1713-V1752 HydrophobicContact CE1-CG1 4.01Å; F1713-V1752 HydrophobicContact CZ-CG1 4.06Å; H1717-V1752 HydrophobicContact CB-CG1 3.59Å; H1717-V1752 HydrophobicContact CB-CG2 4.5Å; H1717-V1752 WeakPolarHBondContact CD2-CG1 3.46Å; H1717-V1752 VanDerWaalsContact CG-CG1 3.43Å; N1750-V1752 PolarHBondContact O-N 2.79Å; V1752-G1797 WeakPolarHBondContact O-CA 3.27Å | ||
| 1753 | V | 54.5 | Low | 45.5 | Very low | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.4 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | L1652 F1713 S1751 W1755 T1795 | L1652-V1753 HydrophobicContact CD1-CB 4.2Å; L1652-V1753 HydrophobicContact CD1-CG1 4.45Å; F1713-V1753 HydrophobicContact CE1-CG2 4.12Å; F1713-V1753 HydrophobicContact CZ-CG2 3.94Å; S1751-V1753 VanDerWaalsContact C-N 3.33Å; V1753-W1755 VanDerWaalsContact CG1-O 3.31Å; V1753-W1755 WeakPolarHBondContact CG1-O 3.11Å; V1753-T1795 HydrophobicContact CG1-CG2 3.76Å; V1753-T1795 HydrophobicContact CG2-CG2 4.5Å |
| 1754 | T | 55.4 | Low | 46.3 | Very low | 46 Ų | 46 | 69.4 Ų | 69.4 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -27.7 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 113 | S1796 R1798 T1842 I1843 | T1754-S1796 PolarHBondContact N-O 3.42Å; T1754-S1796 PolarHBondContact OG1-O 2.94Å; T1754-S1796 PolarHBondContact OG1-OG 3.34Å; T1754-R1798 HydrophobicContact CG2-CB 4.39Å; T1754-R1798 HydrophobicContact CG2-CG 3.47Å; T1754-R1798 VanDerWaalsContact CG2-CG 3.47Å; T1754-T1842 WeakPolarHBondContact CG2-OG1 3.29Å; T1754-I1843 PolarHBondContact OG1-O 2.82Å |
| 1755 | W | 61.7 | Low | 47 | Very low | 16 Ų | 16 | 72.1 Ų | 72.1 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 151.9 | -178.4 | 164 | 93.1 | 0 | 0 | 0 | 110.9 | V1753 T1757 F1794 T1795 S1796 N1845 A1846 | V1753-W1755 VanDerWaalsContact CG1-O 3.31Å; V1753-W1755 WeakPolarHBondContact CG1-O 3.11Å; W1755-T1757 HydrophobicContact CH2-CG2 3.26Å; W1755-T1757 HydrophobicContact CZ2-CG2 3.21Å; W1755-T1757 HydrophobicContact CZ3-CG2 4.43Å; W1755-F1794 HydrophobicContact CH2-CB 4.16Å; W1755-F1794 HydrophobicContact CZ3-CB 4.12Å; W1755-T1795 WeakPolarHBondContact O-CA 3.4Å; W1755-S1796 PolarHBondContact O-N 3.15Å; W1755-N1845 VanDerWaalsContact CD1-OD1 3.3Å; W1755-N1845 PolarHBondContact NE1-OD1 3.11Å; W1755-A1846 HydrophobicContact CD2-CB 4.06Å; W1755-A1846 HydrophobicContact CE3-CB 4.04Å; W1755-A1846 HydrophobicContact CH2-CB 3.25Å; W1755-A1846 VanDerWaalsContact CZ2-C 3.41Å; W1755-A1846 HydrophobicContact CZ2-CB 3.25Å; W1755-A1846 WeakPolarHBondContact CZ2-O 3.25Å; W1755-A1846 HydrophobicContact CZ3-CB 3.67Å; W1755-A1846 PolarHBondContact NE1-O 3.35Å |
| 1756 | S | 63.7 | Low | 47.2 | Very low | 7 Ų | 7 | 67.6 Ų | 67.6 | 5% | 0.049 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 147.3 | 170.1 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | H1653 F1794 | H1653-S1756 PolarHBondContact CD2-OG 3.2Å; S1756-F1794 VanDerWaalsContact CA-O 3.29Å; S1756-F1794 WeakPolarHBondContact CA-O 3.07Å |
| 1757 | T | 64.8 | Low | 47.6 | Very low | 21 Ų | 21 | 68.9 Ų | 68.9 | 13% | 0.129 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 158.4 | 169 | -166.2 | 0 | 0 | 0 | 0 | 111.9 | W1755 W1793 F1794 I1848 | W1755-T1757 HydrophobicContact CH2-CG2 3.26Å; W1755-T1757 HydrophobicContact CZ2-CG2 3.21Å; W1755-T1757 HydrophobicContact CZ3-CG2 4.43Å; T1757-W1793 WeakPolarHBondContact O-CA 3.33Å; T1757-F1794 HydrophobicContact CG2-CD2 4.43Å; T1757-F1794 PolarHBondContact N-O 3.22Å; T1757-F1794 PolarHBondContact O-N 3.09Å; T1757-F1794 VanDerWaalsContact O-N 3.1Å; T1757-I1848 HydrophobicContact CG2-CD1 3.81Å; T1757-I1848 HydrophobicContact CG2-CG1 4.16Å |
| 1758 | C | 63.1 | Low | 47.7 | Very low | 10 Ų | 10 | 68.4 Ų | 68.4 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 129.7 | 179.7 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | L1791 V1792 | C1758-L1791 VanDerWaalsContact SG-CD2 3.55Å; C1758-L1791 VanDerWaalsContact SG-CG 3.55Å; C1758-V1792 WeakPolarHBondContact CA-O 3.15Å |
| 1759 | R | 63.1 | Low | 47.6 | Very low | 61 Ų | 61 | 68.9 Ų | 68.9 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 141.9 | 178.6 | -165 | 171.3 | -175.4 | 143.4 | 13.1 | 111.2 | V1792 I1848 G1849 | R1759-V1792 PolarHBondContact N-O 2.87Å; R1759-V1792 PolarHBondContact O-N 3.36Å; R1759-I1848 HydrophobicContact CB-CD1 3.92Å; R1759-I1848 PolarHBondContact NH1-O 2.89Å; R1759-G1849 PolarHBondContact NH1-O 3.48Å |
| 1760 | L | 60.3 | Low | 47.3 | Very low | 44 Ų | 44 | 69.5 Ų | 69.5 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.2 | 171.9 | -169.3 | 73.1 | 0 | 0 | 0 | 109.5 | W1657 K1789 M1790 L1791 L1809 | W1657-L1760 HydrophobicContact CZ3-CB 4.29Å; L1760-K1789 HydrophobicContact CD1-CB 4.03Å; L1760-K1789 HydrophobicContact CD2-CB 4.35Å; L1760-K1789 HydrophobicContact CD2-CD 3.94Å; L1760-K1789 HydrophobicContact CG-CB 4.32Å; L1760-M1790 CarbonylContact C-O 3.56Å; L1760-M1790 WeakPolarHBondContact CA-O 3.16Å; L1760-L1791 HydrophobicContact CB-CD1 4.42Å; L1760-L1791 HydrophobicContact CD1-CB 4.29Å; L1760-L1791 HydrophobicContact CD1-CD1 4.08Å; L1760-L1809 HydrophobicContact CD1-CD1 3.6Å; L1760-L1809 HydrophobicContact CD1-CG 4.5Å |
| 1761 | I | 58 | Low | 46.6 | Very low | 39 Ų | 39 | 69.7 Ų | 69.7 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.6 | 175.8 | -55.6 | 178.7 | 0 | 0 | 0 | 108.4 | M1790 V1792 | I1761-M1790 PolarHBondContact N-O 3Å; I1761-M1790 PolarHBondContact O-N 3.48Å; I1761-V1792 HydrophobicContact CD1-CB 4.42Å; I1761-V1792 HydrophobicContact CD1-CG2 3.47Å; I1761-V1792 VanDerWaalsContact CD1-CG2 3.47Å; I1761-V1792 HydrophobicContact CG1-CG2 3.99Å |
| 1762 | E | 52.3 | Low | 45.6 | Very low | 86 Ų | 86 | 77.8 Ų | 77.8 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | trans | -85.2 | 131.9 | 171 | -65.5 | -168.7 | 160.8 | 0 | 0 | 110 | S1764 Q1765 K1789 | E1762-S1764 PolarHBondContact O-N 3.32Å; E1762-Q1765 PolarHBondContact O-N 2.78Å; E1762-K1789 HydrophobicContact CG-CD 4.18Å; E1762-K1789 HydrophobicContact CG-CG 4.37Å; E1762-K1789 VanDerWaalsContact OE1-CE 3.23Å; E1762-K1789 WeakPolarHBondContact OE1-CE 3.48Å; E1762-K1789 IonicContact OE1-NZ 2.78Å; E1762-K1789 PolarHBondContact OE1-NZ 3.23Å | ||
| 1763 | R | 41.3 | Very low | 44.2 | Very low | 159 Ų | 159 | 84.4 Ų | 84.4 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -67.7 | -18.8 | -170.1 | -141 | 178.3 | -175 | 176.7 | -0.4 | 113.4 | Q1765 | R1763-Q1765 PolarHBondContact O-N 2.9Š|
| 1764 | S | 38.8 | Very low | 42.8 | Very low | 78 Ų | 78 | 90.4 Ų | 90.4 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -67.9 | -12.2 | -178 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | E1762 | E1762-S1764 PolarHBondContact O-N 3.32Š|
| 1765 | Q | 36.4 | Very low | 41.3 | Very low | 119 Ų | 119 | 96.9 Ų | 96.9 | 56% | 0.556 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -98.2 | 15.6 | -179.4 | -65.3 | -172.4 | -5 | 0 | 0 | 114.7 | E1762 R1763 P1767 | E1762-Q1765 PolarHBondContact O-N 2.78Å; R1763-Q1765 PolarHBondContact O-N 2.9Å; Q1765-P1767 WeakPolarHBondContact O-CD 3.42Å |
| 1766 | H | 28.8 | Very low | 39.6 | Very low | 85 Ų | 85 | 102.1 Ų | 102.1 | 39% | 0.394 | 51% | 0.509 | S | S | . | . | trans | -91.2 | 99.8 | 176.8 | -144.1 | -64.1 | 0 | 0 | 0 | 109.9 | L1768 V1769 H1853 | H1766-L1768 PolarHBondContact O-N 3.42Å; H1766-V1769 PolarHBondContact O-N 2.93Å; H1766-H1853 AromaticContact CD2-CE1 3.67Å; H1766-H1853 AromaticContact CE1-CE1 3.9Å; H1766-H1853 AromaticContact NE2-CE1 3.55Å | ||
| 1767 | P | 31 | Very low | 37.9 | Very low | 104 Ų | 104 | 108.4 Ų | 108.4 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -5.8 | -168.3 | -14 | 30.2 | 0 | 0 | 0 | 114.1 | Q1765 | Q1765-P1767 WeakPolarHBondContact O-CD 3.42Š|
| 1768 | L | 29.6 | Very low | 35.9 | Very low | 159 Ų | 159 | 110.4 Ų | 110.4 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 6.2 | 179.4 | -70.2 | 170.2 | 0 | 0 | 0 | 114.1 | H1766 | H1766-L1768 PolarHBondContact O-N 3.42Š|
| 1769 | V | 26.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | trans | -130.6 | 49.5 | 172.6 | -163.6 | 0 | 0 | 0 | 0 | 110.2 | H1766 | H1766-V1769 PolarHBondContact O-N 2.93Š| ||
| 1770 | C | 24.9 | Very low | 32.3 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | trans | -102.5 | 80.5 | 159.4 | -62.4 | 0 | 0 | 0 | 0 | 107.4 | Y1772 | C1770-Y1772 VanDerWaalsContact C-N 3.3Å; C1770-Y1772 PolarHBondContact O-N 2.66Å | ||
| 1771 | D | 25 | Very low | 30.7 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | trans | -56.6 | 100.4 | 161.2 | -94.5 | -17.3 | 0 | 0 | 0 | 106.8 | R1773 | D1771-R1773 PolarHBondContact O-N 3.04Š| ||
| 1772 | Y | 23.5 | Very low | 29.5 | Very low | 216 Ų | 216 | 137.1 Ų | 137.1 | 85% | 0.847 | 70% | 0.704 | S | S | * | * | trans | -62.5 | 77.3 | 167 | -90.7 | -93 | 0 | 0 | 0 | 108.5 | C1770 T1774 | C1770-Y1772 VanDerWaalsContact C-N 3.3Å; C1770-Y1772 PolarHBondContact O-N 2.66Å; Y1772-T1774 VanDerWaalsContact C-N 3.27Å; Y1772-T1774 PolarHBondContact O-N 3.16Å | ||
| 1773 | R | 24.8 | Very low | 28.3 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 69% | 0.694 | 72% | 0.72 | S | S | * | * | trans | -70.7 | 94.2 | 159.3 | -74.7 | -173 | 178.7 | 176.2 | 0.7 | 106.3 | D1771 R1775 | D1771-R1773 PolarHBondContact O-N 3.04Å; R1773-R1775 PolarHBondContact O-N 2.92Å | ||
| 1774 | T | 25.8 | Very low | 27.8 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -48.7 | 90 | 161.5 | 39.6 | 0 | 0 | 0 | 0 | 109 | Y1772 T1776 | Y1772-T1774 VanDerWaalsContact C-N 3.27Å; Y1772-T1774 PolarHBondContact O-N 3.16Å; T1774-T1776 PolarHBondContact O-N 3.33Å | ||
| 1775 | R | 24.3 | Very low | 27.4 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -74.5 | 95.2 | 176.9 | -84.1 | -178.1 | 171.6 | 170.1 | 0.1 | 108.1 | R1773 D1784 | R1773-R1775 PolarHBondContact O-N 2.92Å; R1775-D1784 IonicContact NH2-OD2 3.3Å | ||
| 1776 | T | 24.8 | Very low | 27.4 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | trans | -54.3 | 125.1 | 145.9 | 44.1 | 0 | 0 | 0 | 0 | 107.7 | T1774 G1778 | T1774-T1776 PolarHBondContact O-N 3.33Å; T1776-G1778 PolarHBondContact O-N 2.65Å | ||
| 1777 | P | 27.7 | Very low | 27.8 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 90% | 0.903 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -76.5 | 88.6 | -172 | 30.9 | -32.3 | 0 | 0 | 0 | 109.1 | ||
| 1778 | G | 24.1 | Very low | 28.3 | Very low | 64 Ų | 64 | 144.3 Ų | 144.3 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | trans | -155.3 | 108.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1776 | T1776-G1778 PolarHBondContact O-N 2.65Š| ||
| 1779 | R | 26.5 | Very low | 29 | Very low | 246 Ų | 246 | 140.7 Ų | 140.7 | 93% | 0.928 | 71% | 0.712 | S | S | * | * | trans | 58.1 | 96.2 | 170.2 | -79.7 | -175.4 | 173.4 | -147 | -1.7 | 117.2 | S1781 | R1779-S1781 PolarHBondContact O-N 2.9Å; R1779-S1781 VanDerWaalsContact O-N 3.12Å | ||
| 1780 | R | 23.2 | Very low | 30.2 | Very low | 241 Ų | 241 | 137.1 Ų | 137.1 | 91% | 0.909 | 69% | 0.689 | S | S | * | * | trans | -60 | 102.8 | 157.2 | -73.6 | 175.9 | 174.8 | 174.2 | -2.8 | 109.7 | ||||
| 1781 | S | 26.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | -95.4 | 131.6 | 160.4 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | R1779 L1783 | R1779-S1781 PolarHBondContact O-N 2.9Å; R1779-S1781 VanDerWaalsContact O-N 3.12Å; S1781-L1783 PolarHBondContact O-N 3.41Å | ||
| 1782 | S | 33.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 83% | 0.832 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -76.7 | 57.6 | -155.9 | 62.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1783 | L | 27.9 | Very low | 35.2 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | trans | -144.2 | 44.8 | 179.9 | -140.1 | 85.6 | 0 | 0 | 0 | 115.6 | S1781 | S1781-L1783 PolarHBondContact O-N 3.41Š| ||
| 1784 | D | 29.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 108.6 Ų | 108.6 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | trans | -96.8 | 107 | 161 | -78.8 | -25.9 | 0 | 0 | 0 | 108.3 | R1775 K1786 | R1775-D1784 IonicContact NH2-OD2 3.3Å; D1784-K1786 PolarHBondContact O-N 2.93Å | ||
| 1785 | K | 31 | Very low | 39 | Very low | 191 Ų | 191 | 102.5 Ų | 102.5 | 83% | 0.83 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 118.9 | -175 | -69 | 171.4 | 175.8 | 174.2 | 0 | 110.9 | ||
| 1786 | K | 36.2 | Very low | 41 | Very low | 136 Ų | 136 | 93.8 Ų | 93.8 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 144.2 | 177.9 | -73.3 | 177.1 | 179.1 | 172.4 | 0 | 112.6 | E1664 D1784 | E1664-K1786 IonicContact OE1-NZ 3.57Å; E1664-K1786 PolarHBondContact OE1-NZ 2.76Å; D1784-K1786 PolarHBondContact O-N 2.93Å |
| 1787 | E | 37 | Very low | 42.8 | Very low | 146 Ų | 146 | 87.8 Ų | 87.8 | 68% | 0.682 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 131.4 | -155.1 | -59.9 | 169.4 | 171.8 | 0 | 0 | 114.1 | ||
| 1788 | S | 41.6 | Very low | 44.4 | Very low | 51 Ų | 51 | 87.5 Ų | 87.5 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 120.4 | -177.9 | -23.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1789 | K | 45.3 | Very low | 46.5 | Very low | 84 Ų | 84 | 86.2 Ų | 86.2 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 138 | 168.7 | -57.4 | -167.9 | -173.4 | -163.4 | 0 | 110.4 | L1760 E1762 L1809 | L1760-K1789 HydrophobicContact CD1-CB 4.03Å; L1760-K1789 HydrophobicContact CD2-CB 4.35Å; L1760-K1789 HydrophobicContact CD2-CD 3.94Å; L1760-K1789 HydrophobicContact CG-CB 4.32Å; E1762-K1789 HydrophobicContact CG-CD 4.18Å; E1762-K1789 HydrophobicContact CG-CG 4.37Å; E1762-K1789 VanDerWaalsContact OE1-CE 3.23Å; E1762-K1789 WeakPolarHBondContact OE1-CE 3.48Å; E1762-K1789 IonicContact OE1-NZ 2.78Å; E1762-K1789 PolarHBondContact OE1-NZ 3.23Å; K1789-L1809 HydrophobicContact CB-CD1 4.4Å |
| 1790 | M | 51.7 | Low | 48.3 | Very low | 35 Ų | 35 | 74.5 Ų | 74.5 | 17% | 0.172 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.2 | -173.1 | 159.2 | 175.8 | 179.5 | 0 | 0 | 110.7 | L1760 I1761 V1792 K1806 | L1760-M1790 CarbonylContact C-O 3.56Å; L1760-M1790 WeakPolarHBondContact CA-O 3.16Å; I1761-M1790 PolarHBondContact N-O 3Å; I1761-M1790 PolarHBondContact O-N 3.48Å; M1790-V1792 HydrophobicContact CE-CG2 3.29Å; M1790-V1792 HydrophobicContact CG-CG2 3.74Å; M1790-V1792 HydrophobicContact SD-CG2 4.12Å; M1790-K1806 HydrophobicContact CE-CB 3.82Å; M1790-K1806 HydrophobicContact CE-CD 3.31Å; M1790-K1806 HydrophobicContact CE-CG 3.5Å; M1790-K1806 HydrophobicContact CG-CD 4.03Å; M1790-K1806 VanDerWaalsContact CG-CE 3.45Å; M1790-K1806 HydrophobicContact CG-CG 3.88Å; M1790-K1806 HydrophobicContact SD-CD 3.49Å; M1790-K1806 WeakPolarHBondContact SD-CD 3.29Å; M1790-K1806 WeakPolarHBondContact SD-CE 3.33Å; M1790-K1806 HydrophobicContact SD-CG 3.94Å; M1790-K1806 PolarHBondContact SD-NZ 2.87Å |
| 1791 | L | 56.6 | Low | 50.7 | Low | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.1 | 171.9 | -165.4 | 91.5 | 0 | 0 | 0 | 109.3 | C1758 L1760 L1807 | C1758-L1791 VanDerWaalsContact SG-CD2 3.55Å; C1758-L1791 VanDerWaalsContact SG-CG 3.55Å; L1760-L1791 HydrophobicContact CB-CD1 4.42Å; L1760-L1791 HydrophobicContact CD1-CB 4.29Å; L1760-L1791 HydrophobicContact CD1-CD1 4.08Å; L1791-L1807 HydrophobicContact CB-CB 4.25Å; L1791-L1807 HydrophobicContact CD2-CD1 4.19Å; L1791-L1807 PolarHBondContact N-O 2.82Å; L1791-L1807 PolarHBondContact O-N 2.87Å |
| 1792 | V | 59.9 | Low | 52.7 | Low | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.6 | 178.4 | -163.1 | 0 | 0 | 0 | 0 | 109.6 | C1758 R1759 I1761 M1790 F1794 | C1758-V1792 WeakPolarHBondContact CA-O 3.15Å; R1759-V1792 PolarHBondContact N-O 2.87Å; R1759-V1792 PolarHBondContact O-N 3.36Å; I1761-V1792 HydrophobicContact CD1-CB 4.42Å; I1761-V1792 HydrophobicContact CD1-CG2 3.47Å; I1761-V1792 VanDerWaalsContact CD1-CG2 3.47Å; I1761-V1792 HydrophobicContact CG1-CG2 3.99Å; M1790-V1792 HydrophobicContact CE-CG2 3.29Å; M1790-V1792 HydrophobicContact CG-CG2 3.74Å; M1790-V1792 HydrophobicContact SD-CG2 4.12Å; V1792-F1794 HydrophobicContact CB-CE2 4.25Å; V1792-F1794 HydrophobicContact CG1-CD2 4.27Å; V1792-F1794 HydrophobicContact CG1-CE1 4.26Å; V1792-F1794 HydrophobicContact CG1-CE2 3.38Å; V1792-F1794 HydrophobicContact CG1-CZ 3.38Å |
| 1793 | W | 61.4 | Low | 54.3 | Low | 9 Ų | 9 | 55.1 Ų | 55.1 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.6 | -178 | 169.1 | 87.7 | 0 | 0 | 0 | 110.9 | V1685 P1709 T1757 T1795 G1804 R1805 | V1685-W1793 HydrophobicContact CG2-CD2 4.35Å; V1685-W1793 HydrophobicContact CG2-CH2 3.84Å; V1685-W1793 HydrophobicContact CG2-CZ2 3.16Å; P1709-W1793 HydrophobicContact CB-CH2 3.59Å; P1709-W1793 HydrophobicContact CB-CZ3 3.48Å; P1709-W1793 VanDerWaalsContact CB-CZ3 3.48Å; P1709-W1793 HydrophobicContact CG-CH2 3.66Å; P1709-W1793 HydrophobicContact CG-CZ3 4.07Å; T1757-W1793 WeakPolarHBondContact O-CA 3.33Å; W1793-T1795 HydrophobicContact CH2-CG2 3.45Å; W1793-T1795 VanDerWaalsContact CH2-CG2 3.45Å; W1793-T1795 WeakPolarHBondContact CH2-OG1 3.44Å; W1793-T1795 HydrophobicContact CZ2-CG2 3Å; W1793-T1795 HydrophobicContact CZ3-CG2 4.39Å; W1793-G1804 CarbonylContact O-C 3.53Å; W1793-G1804 WeakPolarHBondContact O-CA 3.41Å; W1793-R1805 PolarHBondContact N-O 2.98Å; W1793-R1805 PolarHBondContact O-N 3.23Å |
| 1794 | F | 66.8 | Low | 56.1 | Low | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 145.7 | 179.6 | -57.5 | -84.4 | 0 | 0 | 0 | 111.2 | W1755 S1756 T1757 V1792 V1802 F1803 G1804 L1833 I1848 L1869 | W1755-F1794 HydrophobicContact CH2-CB 4.16Å; W1755-F1794 HydrophobicContact CZ3-CB 4.12Å; S1756-F1794 VanDerWaalsContact CA-O 3.29Å; S1756-F1794 WeakPolarHBondContact CA-O 3.07Å; T1757-F1794 HydrophobicContact CG2-CD2 4.43Å; T1757-F1794 PolarHBondContact N-O 3.22Å; T1757-F1794 PolarHBondContact O-N 3.09Å; T1757-F1794 VanDerWaalsContact O-N 3.1Å; V1792-F1794 HydrophobicContact CB-CE2 4.25Å; V1792-F1794 HydrophobicContact CG1-CD2 4.27Å; V1792-F1794 HydrophobicContact CG1-CE1 4.26Å; V1792-F1794 HydrophobicContact CG1-CE2 3.38Å; V1792-F1794 HydrophobicContact CG1-CZ 3.38Å; F1794-V1802 HydrophobicContact CB-CG1 4.29Å; F1794-V1802 HydrophobicContact CD1-CG1 4.41Å; F1794-F1803 CarbonylContact C-O 3.55Å; F1794-F1803 VanDerWaalsContact CA-O 3.26Å; F1794-F1803 WeakPolarHBondContact CA-O 3.39Å; F1794-G1804 VanDerWaalsContact CD1-CA 3.47Å; F1794-L1833 HydrophobicContact CD1-CD2 3.88Å; F1794-L1833 HydrophobicContact CE1-CB 4.34Å; F1794-L1833 HydrophobicContact CE1-CD2 3.38Å; F1794-L1833 HydrophobicContact CZ-CD2 4.37Å; F1794-I1848 HydrophobicContact CD2-CD1 3.64Å; F1794-I1848 HydrophobicContact CD2-CG1 4.2Å; F1794-I1848 HydrophobicContact CE2-CD1 3.57Å; F1794-I1848 HydrophobicContact CE2-CG1 4.1Å; F1794-L1869 HydrophobicContact CE1-CD2 3.9Å; F1794-L1869 HydrophobicContact CE2-CD1 4.34Å; F1794-L1869 HydrophobicContact CZ-CD1 4Å; F1794-L1869 HydrophobicContact CZ-CD2 3.69Å |
| 1795 | T | 65 | Low | 57.6 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 147.9 | 173.8 | 40.4 | 0 | 0 | 0 | 0 | 111.8 | V1753 W1755 W1793 F1803 | V1753-T1795 HydrophobicContact CG1-CG2 3.76Å; V1753-T1795 HydrophobicContact CG2-CG2 4.5Å; W1755-T1795 WeakPolarHBondContact O-CA 3.4Å; W1793-T1795 HydrophobicContact CH2-CG2 3.45Å; W1793-T1795 VanDerWaalsContact CH2-CG2 3.45Å; W1793-T1795 WeakPolarHBondContact CH2-OG1 3.44Å; W1793-T1795 HydrophobicContact CZ2-CG2 3Å; W1793-T1795 HydrophobicContact CZ3-CG2 4.39Å; T1795-F1803 PolarHBondContact N-O 3.31Å; T1795-F1803 PolarHBondContact O-N 3.06Å |
| 1796 | S | 66.4 | Low | 59 | Low | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.2 | 172 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | T1754 W1755 R1801 | T1754-S1796 PolarHBondContact N-O 3.42Å; T1754-S1796 PolarHBondContact OG1-O 2.94Å; T1754-S1796 PolarHBondContact OG1-OG 3.34Å; W1755-S1796 PolarHBondContact O-N 3.15Å; S1796-R1801 VanDerWaalsContact CA-O 3.28Å; S1796-R1801 WeakPolarHBondContact CA-O 3.33Å; S1796-R1801 WeakPolarHBondContact CB-O 3.36Å |
| 1797 | G | 61.4 | Low | 59.9 | Low | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 179.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1752 D1799 G1800 R1801 | V1752-G1797 WeakPolarHBondContact O-CA 3.27Å; G1797-D1799 PolarHBondContact O-N 3.12Å; G1797-G1800 PolarHBondContact O-N 3.47Å; G1797-R1801 PolarHBondContact N-O 3.09Å |
| 1798 | R | 62.4 | Low | 60.7 | Low | 133 Ų | 133 | 32.9 Ų | 32.9 | 50% | 0.502 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.4 | 176.2 | -72.3 | -171.9 | -176.1 | 161.1 | 10.6 | 114.3 | S1749 T1754 G1800 | S1749-R1798 PolarHBondContact O-NH1 3.19Å; S1749-R1798 PolarHBondContact O-NH2 3.36Å; T1754-R1798 HydrophobicContact CG2-CB 4.39Å; T1754-R1798 HydrophobicContact CG2-CG 3.47Å; T1754-R1798 VanDerWaalsContact CG2-CG 3.47Å; R1798-G1800 PolarHBondContact O-N 2.78Å |
| 1799 | D | 66.5 | Low | 61.2 | Low | 37 Ų | 37 | 31.3 Ų | 31.3 | 20% | 0.198 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -7.4 | 179.8 | 65 | -18.7 | 0 | 0 | 0 | 113.4 | H1717 G1797 R1801 T1839 | H1717-D1799 IonicContact CE1-OD1 2.84Å; H1717-D1799 PolarHBondContact CE1-OD1 3.48Å; H1717-D1799 IonicContact CE1-OD2 3.34Å; H1717-D1799 PolarHBondContact CE1-OD2 3.12Å; G1797-D1799 PolarHBondContact O-N 3.12Å; D1799-R1801 PolarHBondContact OD1-N 3.06Å; D1799-R1801 VanDerWaalsContact OD1-N 3.16Å; D1799-R1801 WeakPolarHBondContact OD2-CD 3.38Å; D1799-R1801 WeakPolarHBondContact OD2-CG 3.21Å; D1799-T1839 WeakPolarHBondContact O-CA 3.3Å; D1799-T1839 WeakPolarHBondContact O-CG2 3.41Å |
| 1800 | G | 66 | Low | 61.3 | Low | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 82.6 | 10.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1797 R1798 A1837 H1838 M1841 | G1797-G1800 PolarHBondContact O-N 3.47Å; R1798-G1800 PolarHBondContact O-N 2.78Å; G1800-A1837 PolarHBondContact O-N 3.07Å; G1800-H1838 PolarHBondContact O-N 2.97Å; G1800-M1841 WeakPolarHBondContact CA-O 3.38Å; G1800-M1841 PolarHBondContact N-O 3.33Å |
| 1801 | R | 71.9 | Confident | 60.9 | Low | 61 Ų | 61 | 31.6 Ų | 31.6 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 145.2 | 172.9 | -66.1 | -173 | 171.8 | 178.6 | -1.2 | 111.4 | S1796 G1797 D1799 F1803 L1835 E1836 T1839 | S1796-R1801 VanDerWaalsContact CA-O 3.28Å; S1796-R1801 WeakPolarHBondContact CA-O 3.33Å; S1796-R1801 WeakPolarHBondContact CB-O 3.36Å; G1797-R1801 PolarHBondContact N-O 3.09Å; D1799-R1801 PolarHBondContact OD1-N 3.06Å; D1799-R1801 VanDerWaalsContact OD1-N 3.16Å; D1799-R1801 WeakPolarHBondContact OD2-CD 3.38Å; D1799-R1801 WeakPolarHBondContact OD2-CG 3.21Å; R1801-F1803 HydrophobicContact CB-CE2 3.85Å; R1801-F1803 HydrophobicContact CB-CZ 3.99Å; R1801-L1835 CarbonylContact C-O 3.53Å; R1801-L1835 VanDerWaalsContact CA-O 3.31Å; R1801-L1835 WeakPolarHBondContact CA-O 3.47Å; R1801-E1836 HydrophobicContact CG-CG 4.45Å; R1801-E1836 IonicContact CZ-OE1 2.7Å; R1801-E1836 IonicContact NE-OE1 3.71Å; R1801-E1836 PolarHBondContact NE-OE1 3.26Å; R1801-E1836 IonicContact NH2-OE1 4Å; R1801-E1836 PolarHBondContact NH2-OE1 3.33Å; R1801-T1839 HydrophobicContact CG-CG2 3.67Å |
| 1802 | V | 70.3 | Confident | 59.9 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.5 | 176.5 | -177 | 0 | 0 | 0 | 0 | 109.7 | F1794 L1835 A1837 I1843 L1855 T1857 | F1794-V1802 HydrophobicContact CB-CG1 4.29Å; F1794-V1802 HydrophobicContact CD1-CG1 4.41Å; V1802-L1835 HydrophobicContact CB-CB 4.33Å; V1802-L1835 PolarHBondContact N-O 3.32Å; V1802-L1835 PolarHBondContact O-N 3.32Å; V1802-A1837 HydrophobicContact CG2-CB 4.03Å; V1802-I1843 HydrophobicContact CG2-CD1 3.25Å; V1802-L1855 HydrophobicContact CG1-CD2 4.19Å; V1802-T1857 HydrophobicContact CG2-CG2 4.01Å |
| 1803 | F | 65.7 | Low | 58.5 | Low | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.6 | 176 | -58.1 | -81.6 | 0 | 0 | 0 | 110.2 | P1709 T1710 F1713 F1794 T1795 R1801 L1833 D1834 | P1709-F1803 HydrophobicContact CB-CB 4.33Å; T1710-F1803 HydrophobicContact CG2-CB 4.33Å; T1710-F1803 HydrophobicContact CG2-CD1 3.95Å; F1713-F1803 HydrophobicContact CD2-CB 4.48Å; F1713-F1803 AromaticContact CD2-CD2 3.51Å; F1713-F1803 HydrophobicContact CD2-CD2 3.51Å; F1713-F1803 AromaticContact CD2-CE2 3.75Å; F1713-F1803 HydrophobicContact CD2-CE2 3.75Å; F1713-F1803 AromaticContact CD2-CG 3.93Å; F1713-F1803 HydrophobicContact CD2-CG 3.93Å; F1713-F1803 HydrophobicContact CD2-CZ 4.38Å; F1713-F1803 AromaticContact CE2-CD2 3.42Å; F1713-F1803 HydrophobicContact CE2-CD2 3.42Å; F1713-F1803 VanDerWaalsContact CE2-CD2 3.42Å; F1713-F1803 AromaticContact CE2-CE2 3.76Å; F1713-F1803 HydrophobicContact CE2-CE2 3.76Å; F1713-F1803 HydrophobicContact CE2-CG 4.2Å; F1794-F1803 CarbonylContact C-O 3.55Å; F1794-F1803 VanDerWaalsContact CA-O 3.26Å; F1794-F1803 WeakPolarHBondContact CA-O 3.39Å; T1795-F1803 PolarHBondContact N-O 3.31Å; T1795-F1803 PolarHBondContact O-N 3.06Å; R1801-F1803 HydrophobicContact CB-CE2 3.85Å; R1801-F1803 HydrophobicContact CB-CZ 3.99Å; F1803-L1833 WeakPolarHBondContact CA-O 3.44Å; F1803-D1834 HydrophobicContact CD1-CB 4.41Å; F1803-D1834 HydrophobicContact CE1-CB 4.45Å; F1803-D1834 WeakPolarHBondContact CE1-OD1 3.5Å |
| 1804 | G | 65.8 | Low | 56.9 | Low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | W1793 F1794 L1833 | W1793-G1804 CarbonylContact O-C 3.53Å; W1793-G1804 WeakPolarHBondContact O-CA 3.41Å; F1794-G1804 VanDerWaalsContact CD1-CA 3.47Å; G1804-L1833 PolarHBondContact N-O 2.98Å; G1804-L1833 VanDerWaalsContact N-O 3.1Å; G1804-L1833 PolarHBondContact O-N 3.42Å |
| 1805 | R | 61.6 | Low | 54.9 | Low | 64 Ų | 64 | 55.2 Ų | 55.2 | 24% | 0.242 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.5 | 179.7 | -151.4 | 172.8 | -171 | 172.3 | 3.8 | 112.1 | Y1708 W1793 | Y1708-R1805 PolarHBondContact O-NH1 3.11Å; W1793-R1805 PolarHBondContact N-O 2.98Å; W1793-R1805 PolarHBondContact O-N 3.23Å |
| 1806 | K | 59.7 | Low | 53.2 | Low | 41 Ų | 41 | 61.5 Ų | 61.5 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.8 | 172.9 | 173.6 | 177.1 | -171.6 | 162.4 | 0 | 111.5 | M1790 F1808 | M1790-K1806 HydrophobicContact CE-CB 3.82Å; M1790-K1806 HydrophobicContact CE-CD 3.31Å; M1790-K1806 HydrophobicContact CE-CG 3.5Å; M1790-K1806 HydrophobicContact CG-CD 4.03Å; M1790-K1806 VanDerWaalsContact CG-CE 3.45Å; M1790-K1806 HydrophobicContact CG-CG 3.88Å; M1790-K1806 HydrophobicContact SD-CD 3.49Å; M1790-K1806 WeakPolarHBondContact SD-CD 3.29Å; M1790-K1806 WeakPolarHBondContact SD-CE 3.33Å; M1790-K1806 HydrophobicContact SD-CG 3.94Å; M1790-K1806 PolarHBondContact SD-NZ 2.87Å; K1806-F1808 HydrophobicContact CD-CE1 4.33Å; K1806-F1808 HydrophobicContact CD-CE2 3.89Å; K1806-F1808 HydrophobicContact CD-CZ 3.82Å; K1806-F1808 HydrophobicContact CG-CD2 4.5Å; K1806-F1808 HydrophobicContact CG-CE2 4.3Å |
| 1807 | L | 54.6 | Low | 51.2 | Low | 38 Ų | 38 | 65.6 Ų | 65.6 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.1 | 168.9 | -72 | 166.1 | 0 | 0 | 0 | 109.9 | V1707 L1791 | V1707-L1807 HydrophobicContact CG1-CD1 4.39Å; V1707-L1807 HydrophobicContact CG1-CD2 4.04Å; V1707-L1807 HydrophobicContact CG2-CD1 4.23Å; V1707-L1807 HydrophobicContact CG2-CD2 3.85Å; L1791-L1807 HydrophobicContact CB-CB 4.25Å; L1791-L1807 HydrophobicContact CD2-CD1 4.19Å; L1791-L1807 PolarHBondContact N-O 2.82Å; L1791-L1807 PolarHBondContact O-N 2.87Å |
| 1808 | F | 53.8 | Low | 49.6 | Very low | 118 Ų | 118 | 71.4 Ų | 71.4 | 52% | 0.518 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.8 | 171.8 | -68.4 | -88.6 | 0 | 0 | 0 | 108.5 | K1806 | K1806-F1808 HydrophobicContact CD-CE1 4.33Å; K1806-F1808 HydrophobicContact CD-CE2 3.89Å; K1806-F1808 HydrophobicContact CD-CZ 3.82Å; K1806-F1808 HydrophobicContact CG-CD2 4.5Å; K1806-F1808 HydrophobicContact CG-CE2 4.3Å |
| 1809 | L | 53.4 | Low | 47.8 | Very low | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.099 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 143 | 171.7 | -63.8 | 177.7 | 0 | 0 | 0 | 109.3 | I1675 L1760 K1789 G1811 | I1675-L1809 HydrophobicContact CD1-CD1 4.46Å; I1675-L1809 HydrophobicContact CD1-CD2 3.69Å; L1760-L1809 HydrophobicContact CD1-CD1 3.6Å; L1760-L1809 HydrophobicContact CD1-CG 4.5Å; K1789-L1809 HydrophobicContact CB-CD1 4.4Å; L1809-G1811 PolarHBondContact O-N 2.96Å |
| 1810 | P | 47 | Very low | 45.9 | Very low | 70 Ų | 70 | 78 Ų | 78 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 123.3 | 177.7 | 25.2 | -31.5 | 0 | 0 | 0 | 109.4 | ||
| 1811 | G | 42.2 | Very low | 44 | Very low | 55 Ų | 55 | 85.9 Ų | 85.9 | 57% | 0.567 | 46% | 0.456 | S | S | * | . | trans | -111 | 127.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | L1809 N1813 | L1809-G1811 PolarHBondContact O-N 2.96Å; G1811-N1813 PolarHBondContact O-N 3.36Å | ||
| 1812 | D | 36.5 | Very low | 41.7 | Very low | 90 Ų | 90 | 90.6 Ų | 90.6 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 22.6 | -10 | 166.9 | -75 | -11.4 | 0 | 0 | 0 | 123.7 | ||
| 1813 | N | 29.4 | Very low | 39.7 | Very low | 146 Ų | 146 | 100.2 Ų | 100.2 | 78% | 0.781 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -138.2 | 115 | -177 | -87.4 | -51.8 | 0 | 0 | 0 | 112.4 | G1811 | G1811-N1813 PolarHBondContact O-N 3.36Š|
| 1814 | K | 27.7 | Very low | 37.7 | Very low | 194 Ų | 194 | 106 Ų | 106 | 84% | 0.843 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 89.3 | 108.4 | 176 | -55.3 | -179.8 | 179.3 | -176.7 | 0 | 113.3 | ||
| 1815 | S | 25.6 | Very low | 35.9 | Very low | 91 Ų | 91 | 109.5 Ų | 109.5 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | trans | -21.2 | 137.2 | 151.1 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | T1817 | S1815-T1817 PolarHBondContact O-N 3.46Å; S1815-T1817 PolarHBondContact O-OG1 2.93Å | ||
| 1816 | V | 29.3 | Very low | 34.2 | Very low | 132 Ų | 132 | 112.9 Ų | 112.9 | 80% | 0.8 | 63% | 0.632 | S | S | * | * | trans | -60.4 | 65.2 | 171.4 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | V1818 | V1816-V1818 PolarHBondContact O-N 2.84Š| ||
| 1817 | T | 24.8 | Very low | 32.6 | Very low | 87 Ų | 87 | 120 Ų | 120 | 53% | 0.534 | 67% | 0.665 | S | S | . | * | trans | -83.7 | 97.1 | 165.5 | 49.4 | 0 | 0 | 0 | 0 | 104.5 | S1815 N1819 | S1815-T1817 PolarHBondContact O-N 3.46Å; S1815-T1817 PolarHBondContact O-OG1 2.93Å; T1817-N1819 VanDerWaalsContact C-N 3.26Å; T1817-N1819 PolarHBondContact O-N 3.44Å | ||
| 1818 | V | 27.5 | Very low | 31.6 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | trans | -48.9 | 98.9 | 161.2 | 178 | 0 | 0 | 0 | 0 | 106 | V1816 K1820 | V1816-V1818 PolarHBondContact O-N 2.84Å; V1818-K1820 PolarHBondContact O-N 3.33Å | ||
| 1819 | N | 24.1 | Very low | 30.5 | Very low | 142 Ų | 142 | 125 Ų | 125 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -57.6 | 100 | -177.2 | -83.5 | -19 | 0 | 0 | 0 | 107.8 | T1817 E1821 | T1817-N1819 VanDerWaalsContact C-N 3.26Å; T1817-N1819 PolarHBondContact O-N 3.44Å; N1819-E1821 PolarHBondContact O-N 2.91Å | ||
| 1820 | K | 27.9 | Very low | 30 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | trans | -71.4 | -9.1 | -175 | -102.9 | -177.1 | 175.6 | 179.9 | 0 | 113.3 | V1818 | V1818-K1820 PolarHBondContact O-N 3.33Š| ||
| 1821 | E | 25.9 | Very low | 29.6 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | -143.1 | 100.7 | -175 | -63.2 | -174.6 | 168.9 | 0 | 0 | 109.3 | N1819 | N1819-E1821 PolarHBondContact O-N 2.91Š| ||
| 1822 | N | 23.7 | Very low | 30.2 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | trans | 179.5 | 89.2 | 139.7 | -86.6 | -19 | 0 | 0 | 0 | 108.5 | ||||
| 1823 | K | 28 | Very low | 31.3 | Very low | 202 Ų | 202 | 131.8 Ų | 131.8 | 88% | 0.878 | 70% | 0.7 | S | S | * | * | trans | -62 | 136.7 | 157.8 | -71.2 | 174.3 | 176.3 | 173.9 | 0 | 107.2 | ||||
| 1824 | S | 23.2 | Very low | 33 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 87 | 118.2 | 176.5 | 78.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1825 | G | 27.9 | Very low | 35 | Very low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 65% | 0.646 | S | S | * | * | trans | 113 | 7.3 | 135.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1826 | V | 25.9 | Very low | 37.2 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 81% | 0.812 | 64% | 0.642 | S | S | * | * | trans | -120.8 | 87.8 | 169.5 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | S1828 | V1826-S1828 PolarHBondContact O-N 3.45Š| ||
| 1827 | E | 27.1 | Very low | 39.4 | Very low | 190 Ų | 190 | 115 Ų | 115 | 89% | 0.888 | 60% | 0.604 | S | S | * | * | trans | -54.2 | 104 | 168.8 | -77.5 | 173.1 | 151.2 | 0 | 0 | 108.7 | D1829 | E1827-D1829 PolarHBondContact O-N 3.2Å; E1827-D1829 VanDerWaalsContact O-N 3.12Å | ||
| 1828 | S | 31.9 | Very low | 41.9 | Very low | 86 Ų | 86 | 111 Ų | 111 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | trans | -70.2 | 106.2 | 171.6 | -61.3 | 0 | 0 | 0 | 0 | 107.3 | V1826 R1830 | V1826-S1828 PolarHBondContact O-N 3.45Å; S1828-R1830 WeakPolarHBondContact O-CB 3.33Å; S1828-R1830 PolarHBondContact O-N 3.15Å | ||
| 1829 | D | 31.2 | Very low | 43.8 | Very low | 176 Ų | 176 | 108.4 Ų | 108.4 | 94% | 0.941 | 56% | 0.564 | S | S | * | * | trans | -58.4 | 54.8 | -177.2 | -126.8 | -6.8 | 0 | 0 | 0 | 113.7 | E1827 W1831 | E1827-D1829 PolarHBondContact O-N 3.2Å; E1827-D1829 VanDerWaalsContact O-N 3.12Å; D1829-W1831 PolarHBondContact O-N 3.07Å | ||
| 1830 | R | 43.3 | Very low | 45.6 | Very low | 148 Ų | 148 | 106.6 Ų | 106.6 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | trans | -85.3 | 105 | -165.8 | -88.8 | 179 | 169.5 | 169 | -3.5 | 110.9 | S1828 K1832 | S1828-R1830 WeakPolarHBondContact O-CB 3.33Å; S1828-R1830 PolarHBondContact O-N 3.15Å; R1830-K1832 PolarHBondContact O-N 3.15Å; R1830-K1832 VanDerWaalsContact O-N 3.12Å | ||
| 1831 | W | 38.2 | Very low | 47.6 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | trans | -48.4 | 112.9 | 164.5 | -141.7 | 69.9 | 0 | 0 | 0 | 111 | D1829 L1833 L1869 P1870 | D1829-W1831 PolarHBondContact O-N 3.07Å; W1831-L1833 HydrophobicContact CH2-CD1 3.97Å; W1831-L1833 HydrophobicContact CZ3-CB 4.24Å; W1831-L1833 HydrophobicContact CZ3-CD1 4.42Å; W1831-L1869 HydrophobicContact CH2-CB 3.87Å; W1831-L1869 HydrophobicContact CH2-CD2 4.45Å; W1831-L1869 WeakPolarHBondContact CH2-O 3.44Å; W1831-L1869 VanDerWaalsContact CZ2-C 3.48Å; W1831-L1869 WeakPolarHBondContact CZ2-O 3.44Å; W1831-P1870 VanDerWaalsContact CZ2-CA 3.43Å | ||
| 1832 | K | 55 | Low | 49.9 | Very low | 115 Ų | 115 | 96.6 Ų | 96.6 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.6 | 177.6 | -178.3 | -170.7 | 179.5 | -169.3 | 0 | 106.7 | T1710 R1830 | T1710-K1832 VanDerWaalsContact CB-CE 3.45Å; T1710-K1832 HydrophobicContact CG2-CD 4.29Å; T1710-K1832 HydrophobicContact CG2-CG 4.1Å; R1830-K1832 PolarHBondContact O-N 3.15Å; R1830-K1832 VanDerWaalsContact O-N 3.12Å |
| 1833 | L | 60.6 | Low | 52.3 | Low | 11 Ų | 11 | 89 Ų | 89 | 6% | 0.058 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.1 | 179.7 | -170.8 | 71.5 | 0 | 0 | 0 | 109.6 | F1794 F1803 G1804 W1831 L1835 L1869 | F1794-L1833 HydrophobicContact CD1-CD2 3.88Å; F1794-L1833 HydrophobicContact CE1-CB 4.34Å; F1794-L1833 HydrophobicContact CE1-CD2 3.38Å; F1794-L1833 HydrophobicContact CZ-CD2 4.37Å; F1803-L1833 WeakPolarHBondContact CA-O 3.44Å; G1804-L1833 PolarHBondContact N-O 2.98Å; G1804-L1833 VanDerWaalsContact N-O 3.1Å; G1804-L1833 PolarHBondContact O-N 3.42Å; W1831-L1833 HydrophobicContact CH2-CD1 3.97Å; W1831-L1833 HydrophobicContact CZ3-CB 4.24Å; W1831-L1833 HydrophobicContact CZ3-CD1 4.42Å; L1833-L1835 HydrophobicContact CD1-CD1 3.94Å; L1833-L1835 HydrophobicContact CD1-CD2 4.03Å; L1833-L1835 HydrophobicContact CD1-CG 3.73Å; L1833-L1835 HydrophobicContact CD2-CD1 3.58Å; L1833-L1835 HydrophobicContact CD2-CG 4.03Å; L1833-L1835 HydrophobicContact CG-CD1 3.89Å; L1833-L1835 HydrophobicContact CG-CG 3.75Å; L1833-L1869 HydrophobicContact CD2-CD2 3.51Å |
| 1834 | D | 63.9 | Low | 54.6 | Low | 81 Ų | 81 | 80.8 Ų | 80.8 | 43% | 0.433 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 96.9 | 174.3 | -170 | -4.8 | 0 | 0 | 0 | 107.7 | F1803 | F1803-D1834 HydrophobicContact CD1-CB 4.41Å; F1803-D1834 HydrophobicContact CE1-CB 4.45Å; F1803-D1834 WeakPolarHBondContact CE1-OD1 3.5Å |
| 1835 | L | 69.7 | Low | 57.1 | Low | 12 Ų | 12 | 76.4 Ų | 76.4 | 6% | 0.063 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.4 | -174.5 | -70.2 | 175.3 | 0 | 0 | 0 | 111.4 | R1801 V1802 L1833 A1837 L1855 W1867 G1872 | R1801-L1835 CarbonylContact C-O 3.53Å; R1801-L1835 VanDerWaalsContact CA-O 3.31Å; R1801-L1835 WeakPolarHBondContact CA-O 3.47Å; V1802-L1835 HydrophobicContact CB-CB 4.33Å; V1802-L1835 PolarHBondContact N-O 3.32Å; V1802-L1835 PolarHBondContact O-N 3.32Å; L1833-L1835 HydrophobicContact CD1-CD1 3.94Å; L1833-L1835 HydrophobicContact CD1-CD2 4.03Å; L1833-L1835 HydrophobicContact CD1-CG 3.73Å; L1833-L1835 HydrophobicContact CD2-CD1 3.58Å; L1833-L1835 HydrophobicContact CD2-CG 4.03Å; L1833-L1835 HydrophobicContact CG-CD1 3.89Å; L1833-L1835 HydrophobicContact CG-CG 3.75Å; L1835-A1837 VanDerWaalsContact C-N 3.29Å; L1835-A1837 PolarHBondContact O-N 3.27Å; L1835-L1855 HydrophobicContact CD1-CD2 4.27Å; L1835-W1867 HydrophobicContact CD1-CB 4.31Å; L1835-W1867 HydrophobicContact CD1-CD2 4.31Å; L1835-W1867 HydrophobicContact CD1-CE3 4.41Å; L1835-W1867 HydrophobicContact CD1-CG 4.25Å; L1835-W1867 HydrophobicContact CD2-CE3 4.29Å; L1835-G1872 VanDerWaalsContact CD2-O 3.26Å; L1835-G1872 WeakPolarHBondContact CD2-O 3.33Å |
| 1836 | E | 72.7 | Confident | 59.5 | Low | 115 Ų | 115 | 73 Ų | 73 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 74 | 167 | -63.3 | -167.2 | 150.3 | 0 | 0 | 110.5 | R1801 T1839 | R1801-E1836 HydrophobicContact CG-CG 4.45Å; R1801-E1836 IonicContact CZ-OE1 2.7Å; R1801-E1836 IonicContact NE-OE1 3.71Å; R1801-E1836 PolarHBondContact NE-OE1 3.26Å; R1801-E1836 IonicContact NH2-OE1 4Å; R1801-E1836 PolarHBondContact NH2-OE1 3.33Å; E1836-T1839 HydrophobicContact CB-CG2 4.12Å; E1836-T1839 HydrophobicContact CG-CG2 4.38Å |
| 1837 | A | 74.4 | Confident | 61.9 | Low | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -75.5 | -52.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1800 V1802 L1835 I1843 T1857 K1865 W1867 | G1800-A1837 PolarHBondContact O-N 3.07Å; V1802-A1837 HydrophobicContact CG2-CB 4.03Å; L1835-A1837 VanDerWaalsContact C-N 3.29Å; L1835-A1837 PolarHBondContact O-N 3.27Å; A1837-I1843 HydrophobicContact CB-CD1 4.12Å; A1837-T1857 HydrophobicContact CB-CG2 4.42Å; A1837-K1865 WeakPolarHBondContact O-CD 3.33Å; A1837-K1865 PolarHBondContact O-NZ 2.95Å; A1837-W1867 HydrophobicContact CB-CH2 4.39Å; A1837-W1867 HydrophobicContact CB-CZ2 3.59Å |
| 1838 | H | 77.3 | Confident | 63.9 | Low | 3 Ų | 3 | 59.2 Ų | 59.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -134 | 34.6 | -173.3 | -68.1 | -85.2 | 0 | 0 | 0 | 112.9 | G1800 M1841 I1843 T1857 S1859 D1861 T1863 | G1800-H1838 PolarHBondContact O-N 2.97Å; H1838-M1841 CarbonylContact O-C 3.52Å; H1838-M1841 WeakPolarHBondContact O-CA 3.48Å; H1838-M1841 PolarHBondContact O-N 3.24Å; H1838-I1843 HydrophobicContact CB-CG1 4.22Å; H1838-T1857 PolarHBondContact CD2-OG1 3.24Å; H1838-T1857 VanDerWaalsContact CD2-OG1 3.27Å; H1838-T1857 PolarHBondContact NE2-O 3.24Å; H1838-T1857 PolarHBondContact NE2-OG1 3.22Å; H1838-S1859 WeakPolarHBondContact CB-OG 3.28Å; H1838-S1859 WeakPolarHBondContact ND1-CB 3.47Å; H1838-D1861 IonicContact CE1-OD1 3.14Å; H1838-D1861 IonicContact CE1-OD2 3.87Å; H1838-D1861 IonicContact CG-OD2 2.82Å; H1838-D1861 IonicContact ND1-OD1 3.97Å; H1838-D1861 PolarHBondContact ND1-OD1 2.91Å; H1838-D1861 IonicContact ND1-OD2 3.39Å; H1838-D1861 PolarHBondContact ND1-OD2 2.92Å; H1838-T1863 PolarHBondContact CE1-OG1 3.41Å; H1838-T1863 PolarHBondContact ND1-OG1 3.5Å |
| 1839 | T | 69 | Low | 65.7 | Low | 67 Ų | 67 | 55.1 Ų | 55.1 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 130.5 | -177.8 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | D1799 R1801 E1836 | D1799-T1839 WeakPolarHBondContact O-CA 3.3Å; D1799-T1839 WeakPolarHBondContact O-CG2 3.41Å; R1801-T1839 HydrophobicContact CG-CG2 3.67Å; E1836-T1839 HydrophobicContact CB-CG2 4.12Å; E1836-T1839 HydrophobicContact CG-CG2 4.38Å |
| 1840 | P | 60.9 | Low | 67.4 | Low | 104 Ų | 104 | 47.7 Ų | 47.7 | 68% | 0.675 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -100.6 | 17.6 | 6.8 | 39.5 | -35.7 | 0 | 0 | 0 | 114.9 | ||
| 1841 | M | 70.1 | Confident | 68.4 | Low | 85 Ų | 85 | 42.1 Ų | 42.1 | 42% | 0.419 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -92.2 | 144.3 | -173 | -71.3 | -75.4 | 111.3 | 0 | 0 | 112.9 | G1800 H1838 D1861 | G1800-M1841 WeakPolarHBondContact CA-O 3.38Å; G1800-M1841 PolarHBondContact N-O 3.33Å; H1838-M1841 CarbonylContact O-C 3.52Å; H1838-M1841 WeakPolarHBondContact O-CA 3.48Å; H1838-M1841 PolarHBondContact O-N 3.24Å; M1841-D1861 HydrophobicContact CB-CB 3.8Å; M1841-D1861 HydrophobicContact CG-CB 3.83Å |
| 1842 | T | 74.4 | Confident | 69.7 | Low | 37 Ų | 37 | 37.5 Ų | 37.5 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 135.5 | -174.4 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | T1754 S1859 T1860 | T1754-T1842 WeakPolarHBondContact CG2-OG1 3.29Å; T1842-S1859 WeakPolarHBondContact O-CA 3.5Å; T1842-S1859 PolarHBondContact O-OG 3.38Å; T1842-T1860 HydrophobicContact CG2-CG2 3.49Å; T1842-T1860 VanDerWaalsContact CG2-CG2 3.49Å; T1842-T1860 PolarHBondContact N-OG1 3.26Å; T1842-T1860 PolarHBondContact O-N 3.48Å; T1842-T1860 PolarHBondContact O-OG1 3Å |
| 1843 | I | 74.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.9 | 167.9 | -63.1 | 170.2 | 0 | 0 | 0 | 107.9 | T1754 V1802 A1837 H1838 A1846 T1857 G1858 | T1754-I1843 PolarHBondContact OG1-O 2.82Å; V1802-I1843 HydrophobicContact CG2-CD1 3.25Å; A1837-I1843 HydrophobicContact CB-CD1 4.12Å; H1838-I1843 HydrophobicContact CB-CG1 4.22Å; I1843-A1846 HydrophobicContact CG2-CB 4.48Å; I1843-T1857 HydrophobicContact CD1-CG2 4.38Å; I1843-G1858 WeakPolarHBondContact CA-O 3.45Å; I1843-G1858 WeakPolarHBondContact CG2-O 3.44Å |
| 1844 | T | 75.9 | Confident | 71.2 | Confident | 31 Ų | 31 | 34 Ų | 34 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -35.1 | -176.4 | 52 | 0 | 0 | 0 | 0 | 112 | G1858 T1860 V1885 | T1844-G1858 PolarHBondContact N-O 3.15Å; T1844-G1858 PolarHBondContact OG1-O 3.5Å; T1844-T1860 HydrophobicContact CG2-CG2 3.57Å; T1844-V1885 WeakPolarHBondContact CB-O 3.37Å; T1844-V1885 PolarHBondContact OG1-O 3Å |
| 1845 | N | 74.8 | Confident | 72 | Confident | 30 Ų | 30 | 30.1 Ų | 30.1 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 157.4 | 175.1 | -164.9 | 16 | 0 | 0 | 0 | 109.7 | W1755 G1858 R1886 S1887 V1888 | W1755-N1845 VanDerWaalsContact CD1-OD1 3.3Å; W1755-N1845 PolarHBondContact NE1-OD1 3.11Å; N1845-G1858 PolarHBondContact O-N 2.79Å; N1845-R1886 WeakPolarHBondContact CB-O 3.49Å; N1845-S1887 WeakPolarHBondContact ND2-CA 3.5Å; N1845-S1887 PolarHBondContact ND2-OG 3.24Å; N1845-V1888 HydrophobicContact CB-CG2 4.37Å; N1845-V1888 PolarHBondContact ND2-N 3.2Å; N1845-V1888 PolarHBondContact ND2-O 3.26Å |
| 1846 | A | 78.3 | Confident | 72.6 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 158.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | W1755 I1843 L1855 V1856 T1857 V1888 | W1755-A1846 HydrophobicContact CD2-CB 4.06Å; W1755-A1846 HydrophobicContact CE3-CB 4.04Å; W1755-A1846 HydrophobicContact CH2-CB 3.25Å; W1755-A1846 VanDerWaalsContact CZ2-C 3.41Å; W1755-A1846 HydrophobicContact CZ2-CB 3.25Å; W1755-A1846 WeakPolarHBondContact CZ2-O 3.25Å; W1755-A1846 HydrophobicContact CZ3-CB 3.67Å; W1755-A1846 PolarHBondContact NE1-O 3.35Å; I1843-A1846 HydrophobicContact CG2-CB 4.48Å; A1846-L1855 HydrophobicContact CB-CD1 4.4Å; A1846-V1856 CarbonylContact C-O 3.38Å; A1846-V1856 WeakPolarHBondContact CA-O 3.35Å; A1846-V1856 WeakPolarHBondContact CB-O 3.17Å; A1846-T1857 HydrophobicContact CB-CG2 4.09Å; A1846-V1888 VanDerWaalsContact CA-CG2 3.44Å |
| 1847 | D | 76.2 | Confident | 73.2 | Confident | 34 Ų | 34 | 24 Ų | 24 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 159.5 | 176.5 | -165.7 | 19.3 | 0 | 0 | 0 | 110.9 | V1856 A1889 F1890 | D1847-V1856 HydrophobicContact CB-CG1 3.89Å; D1847-V1856 PolarHBondContact N-O 3.08Å; D1847-V1856 WeakPolarHBondContact O-CG1 3.34Å; D1847-V1856 PolarHBondContact O-N 2.83Å; D1847-A1889 VanDerWaalsContact OD2-CA 3.29Å; D1847-A1889 WeakPolarHBondContact OD2-CA 3.33Å; D1847-F1890 HydrophobicContact CB-CD2 4.12Å; D1847-F1890 VanDerWaalsContact O-CE2 3.22Å; D1847-F1890 WeakPolarHBondContact O-CE2 3.45Å; D1847-F1890 PolarHBondContact OD2-N 2.74Å |
| 1848 | I | 69.9 | Low | 73.6 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.9 | -178.4 | -57.3 | 161.4 | 0 | 0 | 0 | 108.9 | T1757 R1759 F1794 W1854 L1855 L1869 F1890 | T1757-I1848 HydrophobicContact CG2-CD1 3.81Å; T1757-I1848 HydrophobicContact CG2-CG1 4.16Å; R1759-I1848 HydrophobicContact CB-CD1 3.92Å; R1759-I1848 PolarHBondContact NH1-O 2.89Å; F1794-I1848 HydrophobicContact CD2-CD1 3.64Å; F1794-I1848 HydrophobicContact CD2-CG1 4.2Å; F1794-I1848 HydrophobicContact CE2-CD1 3.57Å; F1794-I1848 HydrophobicContact CE2-CG1 4.1Å; I1848-W1854 CarbonylContact C-O 3.58Å; I1848-W1854 WeakPolarHBondContact CA-O 3.47Å; I1848-L1855 HydrophobicContact CG1-CD1 4.15Å; I1848-L1869 HydrophobicContact CG2-CD1 4.33Å; I1848-F1890 WeakPolarHBondContact O-CD2 3.41Å |
| 1849 | G | 70.2 | Confident | 73.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -62.1 | 156.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1759 S1851 G1852 W1854 F1890 | R1759-G1849 PolarHBondContact NH1-O 3.48Å; G1849-S1851 PolarHBondContact O-N 3.38Å; G1849-G1852 PolarHBondContact O-N 3.33Å; G1849-W1854 PolarHBondContact N-O 3.06Å; G1849-F1890 VanDerWaalsContact CA-CD2 3.41Å; G1849-F1890 VanDerWaalsContact CA-CG 3.46Å | ||
| 1850 | P | 66 | Low | 74.4 | Confident | 20 Ų | 20 | 22.3 Ų | 22.3 | 13% | 0.13 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -33.8 | 176.2 | 22.6 | -34 | 0 | 0 | 0 | 113.9 | G1852 Q1891 P1892 V1894 L1900 | P1850-G1852 PolarHBondContact O-N 3.2Å; P1850-Q1891 WeakPolarHBondContact CD-O 3.43Å; P1850-Q1891 WeakPolarHBondContact CG-O 3.29Å; P1850-P1892 WeakPolarHBondContact CB-O 3.34Å; P1850-V1894 HydrophobicContact CB-CG2 4.12Å; P1850-V1894 HydrophobicContact CG-CG2 3.55Å; P1850-L1900 HydrophobicContact CG-CD1 4.34Å |
| 1851 | S | 64.8 | Low | 75.2 | Confident | 30 Ų | 30 | 19.4 Ų | 19.4 | 21% | 0.21 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.1 | 174.1 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | G1849 H1853 | G1849-S1851 PolarHBondContact O-N 3.38Å; S1851-H1853 PolarHBondContact O-N 2.77Å; S1851-H1853 VanDerWaalsContact O-N 3.16Å |
| 1852 | G | 64.5 | Low | 75.9 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 7% | 0.072 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 70.7 | 1.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1849 P1850 L1869 | G1849-G1852 PolarHBondContact O-N 3.33Å; P1850-G1852 PolarHBondContact O-N 3.2Å; G1852-L1869 WeakPolarHBondContact O-CD1 3.45Å |
| 1853 | H | 70 | Confident | 76.2 | Confident | 33 Ų | 33 | 17.2 Ų | 17.2 | 15% | 0.153 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -92.4 | -16.5 | -178.4 | -66.8 | -49.4 | 0 | 0 | 0 | 114.4 | H1766 S1851 F1868 L1869 | H1766-H1853 AromaticContact CD2-CE1 3.67Å; H1766-H1853 AromaticContact CE1-CE1 3.9Å; H1766-H1853 AromaticContact NE2-CE1 3.55Å; S1851-H1853 PolarHBondContact O-N 2.77Å; S1851-H1853 VanDerWaalsContact O-N 3.16Å; H1853-F1868 HydrophobicContact CB-CD2 4.42Å; H1853-F1868 HydrophobicContact CB-CE2 3.98Å; H1853-L1869 WeakPolarHBondContact O-CB 3.46Å; H1853-L1869 PolarHBondContact O-N 3.21Å |
| 1854 | W | 77.7 | Confident | 76.7 | Confident | 18 Ų | 18 | 17.2 Ų | 17.2 | 7% | 0.068 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.4 | -171.7 | -54.1 | 104.2 | 0 | 0 | 0 | 110 | I1848 G1849 V1866 W1867 F1868 A1875 F1890 L1900 T1918 L1921 | I1848-W1854 CarbonylContact C-O 3.58Å; I1848-W1854 WeakPolarHBondContact CA-O 3.47Å; G1849-W1854 PolarHBondContact N-O 3.06Å; W1854-V1866 HydrophobicContact CB-CG1 4.49Å; W1854-V1866 HydrophobicContact CE3-CG1 4.26Å; W1854-W1867 WeakPolarHBondContact CA-O 3.5Å; W1854-F1868 HydrophobicContact CD2-CD2 4.18Å; W1854-F1868 HydrophobicContact CE3-CB 4.12Å; W1854-F1868 AromaticContact CE3-CD2 3.86Å; W1854-F1868 HydrophobicContact CE3-CD2 3.86Å; W1854-F1868 HydrophobicContact CE3-CG 4.48Å; W1854-F1868 HydrophobicContact CH2-CB 4.35Å; W1854-F1868 AromaticContact CH2-CD2 3.54Å; W1854-F1868 HydrophobicContact CH2-CD2 3.54Å; W1854-F1868 HydrophobicContact CH2-CE2 4.19Å; W1854-F1868 HydrophobicContact CH2-CG 4.22Å; W1854-F1868 AromaticContact CZ2-CD2 3.88Å; W1854-F1868 HydrophobicContact CZ2-CD2 3.88Å; W1854-F1868 HydrophobicContact CZ2-CE2 4.18Å; W1854-F1868 HydrophobicContact CZ3-CB 3.67Å; W1854-F1868 AromaticContact CZ3-CD2 3.54Å; W1854-F1868 HydrophobicContact CZ3-CD2 3.54Å; W1854-F1868 AromaticContact CZ3-CG 3.98Å; W1854-F1868 HydrophobicContact CZ3-CG 3.98Å; W1854-A1875 HydrophobicContact CE3-CB 4.4Å; W1854-A1875 HydrophobicContact CZ3-CB 3.7Å; W1854-F1890 HydrophobicContact CB-CE1 4.4Å; W1854-F1890 HydrophobicContact CB-CE2 4.48Å; W1854-F1890 HydrophobicContact CB-CZ 3.84Å; W1854-L1900 HydrophobicContact CB-CD2 4.18Å; W1854-L1900 HydrophobicContact CG-CD2 3.92Å; W1854-T1918 HydrophobicContact CZ2-CG2 4.45Å; W1854-L1921 HydrophobicContact CD2-CD1 4.15Å; W1854-L1921 HydrophobicContact CE3-CD1 4.1Å; W1854-L1921 HydrophobicContact CH2-CB 3.53Å; W1854-L1921 HydrophobicContact CH2-CD1 3.78Å; W1854-L1921 HydrophobicContact CH2-CG 4.17Å; W1854-L1921 HydrophobicContact CZ2-CB 4.23Å; W1854-L1921 HydrophobicContact CZ2-CD1 3.81Å; W1854-L1921 HydrophobicContact CZ3-CB 3.87Å; W1854-L1921 HydrophobicContact CZ3-CD1 3.9Å; W1854-L1921 HydrophobicContact CZ3-CD2 4.22Å; W1854-L1921 HydrophobicContact CZ3-CG 4.22Å |
| 1855 | L | 80.3 | Confident | 77.1 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130 | 172.9 | 171.6 | 74.3 | 0 | 0 | 0 | 108.3 | V1802 L1835 A1846 I1848 T1857 V1866 W1867 L1869 | V1802-L1855 HydrophobicContact CG1-CD2 4.19Å; L1835-L1855 HydrophobicContact CD1-CD2 4.27Å; A1846-L1855 HydrophobicContact CB-CD1 4.4Å; I1848-L1855 HydrophobicContact CG1-CD1 4.15Å; L1855-T1857 HydrophobicContact CD2-CG2 4.03Å; L1855-T1857 HydrophobicContact CG-CG2 4.12Å; L1855-V1866 CarbonylContact O-C 3.55Å; L1855-V1866 VanDerWaalsContact O-CA 3.31Å; L1855-V1866 WeakPolarHBondContact O-CA 3.23Å; L1855-W1867 HydrophobicContact CB-CB 4.34Å; L1855-W1867 PolarHBondContact N-O 2.91Å; L1855-W1867 PolarHBondContact O-N 3.33Å; L1855-L1869 HydrophobicContact CB-CD1 4.17Å; L1855-L1869 HydrophobicContact CB-CD2 3.74Å; L1855-L1869 HydrophobicContact CB-CG 3.86Å; L1855-L1869 HydrophobicContact CD2-CD2 4.14Å |
| 1856 | V | 83.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.4 | 168.2 | 62.4 | 0 | 0 | 0 | 0 | 109.3 | A1846 D1847 K1865 V1866 V1888 F1890 M1902 | A1846-V1856 CarbonylContact C-O 3.38Å; A1846-V1856 WeakPolarHBondContact CA-O 3.35Å; A1846-V1856 WeakPolarHBondContact CB-O 3.17Å; D1847-V1856 HydrophobicContact CB-CG1 3.89Å; D1847-V1856 PolarHBondContact N-O 3.08Å; D1847-V1856 WeakPolarHBondContact O-CG1 3.34Å; D1847-V1856 PolarHBondContact O-N 2.83Å; V1856-K1865 CarbonylContact C-O 3.56Å; V1856-K1865 WeakPolarHBondContact CA-O 3.39Å; V1856-V1866 HydrophobicContact CB-CG2 4.46Å; V1856-V1866 HydrophobicContact CG2-CG2 4.32Å; V1856-V1888 HydrophobicContact CG1-CB 3.96Å; V1856-V1888 HydrophobicContact CG1-CG2 3.78Å; V1856-V1888 HydrophobicContact CG2-CB 4.1Å; V1856-V1888 HydrophobicContact CG2-CG1 4.26Å; V1856-V1888 HydrophobicContact CG2-CG2 4.31Å; V1856-F1890 HydrophobicContact CB-CE2 3.8Å; V1856-F1890 HydrophobicContact CB-CZ 3.88Å; V1856-F1890 HydrophobicContact CG1-CD2 3.77Å; V1856-F1890 HydrophobicContact CG1-CE2 3.49Å; V1856-F1890 VanDerWaalsContact CG1-CE2 3.49Å; V1856-F1890 HydrophobicContact CG1-CZ 3.99Å; V1856-M1902 HydrophobicContact CB-SD 3.87Å; V1856-M1902 HydrophobicContact CG1-SD 4.49Å; V1856-M1902 HydrophobicContact CG2-CG 4.41Å; V1856-M1902 HydrophobicContact CG2-SD 3.4Å; V1856-M1902 WeakPolarHBondContact CG2-SD 3.2Å |
| 1857 | T | 84.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | V1802 A1837 H1838 I1843 A1846 L1855 A1864 K1865 W1867 | V1802-T1857 HydrophobicContact CG2-CG2 4.01Å; A1837-T1857 HydrophobicContact CB-CG2 4.42Å; H1838-T1857 PolarHBondContact CD2-OG1 3.24Å; H1838-T1857 VanDerWaalsContact CD2-OG1 3.27Å; H1838-T1857 PolarHBondContact NE2-O 3.24Å; H1838-T1857 PolarHBondContact NE2-OG1 3.22Å; I1843-T1857 HydrophobicContact CD1-CG2 4.38Å; A1846-T1857 HydrophobicContact CB-CG2 4.09Å; L1855-T1857 HydrophobicContact CD2-CG2 4.03Å; L1855-T1857 HydrophobicContact CG-CG2 4.12Å; T1857-A1864 CarbonylContact O-C 3.57Å; T1857-A1864 WeakPolarHBondContact O-CA 3.4Å; T1857-K1865 PolarHBondContact N-O 2.88Å; T1857-K1865 PolarHBondContact O-N 3.36Å; T1857-K1865 PolarHBondContact OG1-O 3.19Å; T1857-W1867 PolarHBondContact OG1-NE1 3.13Å |
| 1858 | G | 82.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | I1843 T1844 N1845 | I1843-G1858 WeakPolarHBondContact CA-O 3.45Å; I1843-G1858 WeakPolarHBondContact CG2-O 3.44Å; T1844-G1858 PolarHBondContact N-O 3.15Å; T1844-G1858 PolarHBondContact OG1-O 3.5Å; N1845-G1858 PolarHBondContact O-N 2.79Å |
| 1859 | S | 82.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161.8 | -170.6 | 171.1 | 0 | 0 | 0 | 0 | 113.7 | H1838 T1842 D1861 K1862 T1863 V1885 | H1838-S1859 WeakPolarHBondContact CB-OG 3.28Å; H1838-S1859 WeakPolarHBondContact ND1-CB 3.47Å; T1842-S1859 WeakPolarHBondContact O-CA 3.5Å; T1842-S1859 PolarHBondContact O-OG 3.38Å; S1859-D1861 WeakPolarHBondContact CB-OD1 3.33Å; S1859-D1861 PolarHBondContact O-N 3.32Å; S1859-D1861 VanDerWaalsContact OG-CG 3.29Å; S1859-D1861 PolarHBondContact OG-N 3.05Å; S1859-D1861 VanDerWaalsContact OG-N 3.11Å; S1859-D1861 PolarHBondContact OG-OD1 3.5Å; S1859-K1862 PolarHBondContact O-N 3.32Å; S1859-T1863 PolarHBondContact N-O 3.33Å; S1859-T1863 VanDerWaalsContact N-O 3.12Å; S1859-V1885 PolarHBondContact O-N 3.48Å |
| 1860 | T | 80.7 | Confident | 76.9 | Confident | 35 Ų | 35 | 20.8 Ų | 20.8 | 22% | 0.215 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.1 | 168.8 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | T1842 T1844 K1862 | T1842-T1860 HydrophobicContact CG2-CG2 3.49Å; T1842-T1860 VanDerWaalsContact CG2-CG2 3.49Å; T1842-T1860 PolarHBondContact N-OG1 3.26Å; T1842-T1860 PolarHBondContact O-N 3.48Å; T1842-T1860 PolarHBondContact O-OG1 3Å; T1844-T1860 HydrophobicContact CG2-CG2 3.57Å; T1860-K1862 PolarHBondContact O-N 3.42Å; T1860-K1862 VanDerWaalsContact O-N 3.13Å |
| 1861 | D | 79.1 | Confident | 76.7 | Confident | 43 Ų | 43 | 22.7 Ų | 22.7 | 23% | 0.23 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 0.9 | 168.6 | 69.9 | 7.6 | 0 | 0 | 0 | 113.5 | H1838 M1841 S1859 T1863 | H1838-D1861 IonicContact CE1-OD1 3.14Å; H1838-D1861 IonicContact CE1-OD2 3.87Å; H1838-D1861 IonicContact CG-OD2 2.82Å; H1838-D1861 IonicContact ND1-OD1 3.97Å; H1838-D1861 PolarHBondContact ND1-OD1 2.91Å; H1838-D1861 IonicContact ND1-OD2 3.39Å; H1838-D1861 PolarHBondContact ND1-OD2 2.92Å; M1841-D1861 HydrophobicContact CB-CB 3.8Å; M1841-D1861 HydrophobicContact CG-CB 3.83Å; S1859-D1861 WeakPolarHBondContact CB-OD1 3.33Å; S1859-D1861 PolarHBondContact O-N 3.32Å; S1859-D1861 VanDerWaalsContact OG-CG 3.29Å; S1859-D1861 PolarHBondContact OG-N 3.05Å; S1859-D1861 VanDerWaalsContact OG-N 3.11Å; S1859-D1861 PolarHBondContact OG-OD1 3.5Å; D1861-T1863 VanDerWaalsContact C-N 3.27Å; D1861-T1863 PolarHBondContact O-N 3.34Å; D1861-T1863 WeakPolarHBondContact OD1-CA 3.35Å; D1861-T1863 WeakPolarHBondContact OD1-CB 3.46Å; D1861-T1863 PolarHBondContact OD1-N 3.47Å; D1861-T1863 PolarHBondContact OD1-OG1 3.1Å; D1861-T1863 PolarHBondContact OD2-OG1 3.21Å |
| 1862 | K | 83.2 | Confident | 76.9 | Confident | 61 Ų | 61 | 22.1 Ų | 22.1 | 27% | 0.265 | 12% | 0.123 | S | C | . | . | S | Bend | trans | 69.3 | 20.7 | -178.9 | -43.8 | 179.5 | 178.9 | -169.4 | 0 | 113.2 | S1859 T1860 H1881 P1882 | S1859-K1862 PolarHBondContact O-N 3.32Å; T1860-K1862 PolarHBondContact O-N 3.42Å; T1860-K1862 VanDerWaalsContact O-N 3.13Å; K1862-H1881 HydrophobicContact CB-CB 4.37Å; K1862-H1881 WeakPolarHBondContact CB-O 3.46Å; K1862-H1881 WeakPolarHBondContact O-CA 3.48Å; K1862-H1881 WeakPolarHBondContact O-CB 3.28Å; K1862-H1881 PolarHBondContact O-CD2 3.16Å; K1862-H1881 PolarHBondContact O-N 3.44Å; K1862-P1882 PolarHBondContact NZ-O 3.48Å |
| 1863 | T | 81.3 | Confident | 77.3 | Confident | 14 Ų | 14 | 24.9 Ų | 24.9 | 9% | 0.086 | 14% | 0.135 | C | C | . | . | trans | -118.3 | 156 | 174.9 | 69.2 | 0 | 0 | 0 | 0 | 110.5 | H1838 S1859 D1861 | H1838-T1863 PolarHBondContact CE1-OG1 3.41Å; H1838-T1863 PolarHBondContact ND1-OG1 3.5Å; S1859-T1863 PolarHBondContact N-O 3.33Å; S1859-T1863 VanDerWaalsContact N-O 3.12Å; D1861-T1863 VanDerWaalsContact C-N 3.27Å; D1861-T1863 PolarHBondContact O-N 3.34Å; D1861-T1863 WeakPolarHBondContact OD1-CA 3.35Å; D1861-T1863 WeakPolarHBondContact OD1-CB 3.46Å; D1861-T1863 PolarHBondContact OD1-N 3.47Å; D1861-T1863 PolarHBondContact OD1-OG1 3.1Å; D1861-T1863 PolarHBondContact OD2-OG1 3.21Å | ||
| 1864 | A | 84.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T1857 T1878 V1885 V1888 T1904 | T1857-A1864 CarbonylContact O-C 3.57Å; T1857-A1864 WeakPolarHBondContact O-CA 3.4Å; A1864-T1878 HydrophobicContact CB-CG2 3.84Å; A1864-T1878 PolarHBondContact N-OG1 3Å; A1864-T1878 WeakPolarHBondContact O-CG2 3.24Å; A1864-T1878 PolarHBondContact O-N 3.37Å; A1864-T1878 PolarHBondContact O-OG1 3.48Å; A1864-V1885 HydrophobicContact CB-CG1 4.47Å; A1864-V1888 HydrophobicContact CB-CG1 4.36Å; A1864-T1904 HydrophobicContact CB-CG2 3.89Å |
| 1865 | K | 85.1 | Confident | 77.6 | Confident | 38 Ų | 38 | 25.7 Ų | 25.7 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.9 | -174.9 | -72.4 | -179.9 | -172.5 | 178.8 | 0 | 110.6 | A1837 V1856 T1857 W1867 L1874 | A1837-K1865 WeakPolarHBondContact O-CD 3.33Å; A1837-K1865 PolarHBondContact O-NZ 2.95Å; V1856-K1865 CarbonylContact C-O 3.56Å; V1856-K1865 WeakPolarHBondContact CA-O 3.39Å; T1857-K1865 PolarHBondContact N-O 2.88Å; T1857-K1865 PolarHBondContact O-N 3.36Å; T1857-K1865 PolarHBondContact OG1-O 3.19Å; K1865-W1867 HydrophobicContact CB-CZ2 3.94Å; K1865-W1867 HydrophobicContact CD-CH2 4.44Å; K1865-W1867 HydrophobicContact CD-CZ2 3.67Å; K1865-W1867 HydrophobicContact CG-CZ2 4.45Å; K1865-L1874 HydrophobicContact CB-CD1 3.62Å; K1865-L1874 HydrophobicContact CD-CD1 3.97Å; K1865-L1874 HydrophobicContact CG-CD1 3.87Å |
| 1866 | V | 83 | Confident | 77.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.6 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | W1854 L1855 V1856 A1875 F1876 F1890 M1902 L1916 L1921 | W1854-V1866 HydrophobicContact CB-CG1 4.49Å; W1854-V1866 HydrophobicContact CE3-CG1 4.26Å; L1855-V1866 CarbonylContact O-C 3.55Å; L1855-V1866 VanDerWaalsContact O-CA 3.31Å; L1855-V1866 WeakPolarHBondContact O-CA 3.23Å; V1856-V1866 HydrophobicContact CB-CG2 4.46Å; V1856-V1866 HydrophobicContact CG2-CG2 4.32Å; V1866-A1875 PolarHBondContact O-N 3.15Å; V1866-F1876 HydrophobicContact CB-CB 4.06Å; V1866-F1876 HydrophobicContact CG2-CB 4.3Å; V1866-F1876 HydrophobicContact CG2-CD1 4.2Å; V1866-F1876 PolarHBondContact N-O 3.3Å; V1866-F1876 PolarHBondContact O-N 2.96Å; V1866-F1890 HydrophobicContact CG1-CZ 4.48Å; V1866-M1902 HydrophobicContact CG2-CE 3.6Å; V1866-M1902 HydrophobicContact CG2-SD 3.51Å; V1866-M1902 VanDerWaalsContact CG2-SD 3.51Å; V1866-L1916 HydrophobicContact CG2-CD1 4.14Å; V1866-L1921 HydrophobicContact CG1-CD2 4.48Å |
| 1867 | W | 80.1 | Confident | 77.4 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 8% | 0.076 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.3 | -175 | -54 | 86.1 | 0 | 0 | 0 | 109.8 | L1835 A1837 W1854 L1855 T1857 K1865 L1869 L1874 | L1835-W1867 HydrophobicContact CD1-CB 4.31Å; L1835-W1867 HydrophobicContact CD1-CD2 4.31Å; L1835-W1867 HydrophobicContact CD1-CE3 4.41Å; L1835-W1867 HydrophobicContact CD1-CG 4.25Å; L1835-W1867 HydrophobicContact CD2-CE3 4.29Å; A1837-W1867 HydrophobicContact CB-CH2 4.39Å; A1837-W1867 HydrophobicContact CB-CZ2 3.59Å; W1854-W1867 WeakPolarHBondContact CA-O 3.5Å; L1855-W1867 HydrophobicContact CB-CB 4.34Å; L1855-W1867 PolarHBondContact N-O 2.91Å; L1855-W1867 PolarHBondContact O-N 3.33Å; T1857-W1867 PolarHBondContact OG1-NE1 3.13Å; K1865-W1867 HydrophobicContact CB-CZ2 3.94Å; K1865-W1867 HydrophobicContact CD-CH2 4.44Å; K1865-W1867 HydrophobicContact CD-CZ2 3.67Å; K1865-W1867 HydrophobicContact CG-CZ2 4.45Å; W1867-L1869 PolarHBondContact O-N 2.97Å; W1867-L1874 HydrophobicContact CD2-CD1 4.14Å; W1867-L1874 HydrophobicContact CE3-CB 3.96Å; W1867-L1874 HydrophobicContact CE3-CD1 4.28Å; W1867-L1874 HydrophobicContact CH2-CB 4.04Å; W1867-L1874 HydrophobicContact CH2-CD1 3.98Å; W1867-L1874 HydrophobicContact CH2-CG 4.46Å; W1867-L1874 HydrophobicContact CZ2-CD1 3.79Å; W1867-L1874 HydrophobicContact CZ3-CB 3.65Å; W1867-L1874 HydrophobicContact CZ3-CD1 4.22Å; W1867-L1874 HydrophobicContact CZ3-CG 4.5Å |
| 1868 | F | 75.4 | Confident | 77 | Confident | 53 Ų | 53 | 29.5 Ų | 29.5 | 23% | 0.232 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 108.5 | 166.7 | -173.8 | -122.5 | 0 | 0 | 0 | 108.2 | H1853 W1854 P1870 S1871 G1872 I1873 | H1853-F1868 HydrophobicContact CB-CD2 4.42Å; H1853-F1868 HydrophobicContact CB-CE2 3.98Å; W1854-F1868 HydrophobicContact CD2-CD2 4.18Å; W1854-F1868 HydrophobicContact CE3-CB 4.12Å; W1854-F1868 AromaticContact CE3-CD2 3.86Å; W1854-F1868 HydrophobicContact CE3-CD2 3.86Å; W1854-F1868 HydrophobicContact CE3-CG 4.48Å; W1854-F1868 HydrophobicContact CH2-CB 4.35Å; W1854-F1868 AromaticContact CH2-CD2 3.54Å; W1854-F1868 HydrophobicContact CH2-CD2 3.54Å; W1854-F1868 HydrophobicContact CH2-CE2 4.19Å; W1854-F1868 HydrophobicContact CH2-CG 4.22Å; W1854-F1868 AromaticContact CZ2-CD2 3.88Å; W1854-F1868 HydrophobicContact CZ2-CD2 3.88Å; W1854-F1868 HydrophobicContact CZ2-CE2 4.18Å; W1854-F1868 HydrophobicContact CZ3-CB 3.67Å; W1854-F1868 AromaticContact CZ3-CD2 3.54Å; W1854-F1868 HydrophobicContact CZ3-CD2 3.54Å; W1854-F1868 AromaticContact CZ3-CG 3.98Å; W1854-F1868 HydrophobicContact CZ3-CG 3.98Å; F1868-P1870 HydrophobicContact CD1-CB 4.32Å; F1868-P1870 HydrophobicContact CD1-CG 4.44Å; F1868-P1870 HydrophobicContact CE1-CB 3.7Å; F1868-P1870 HydrophobicContact CE1-CG 3.84Å; F1868-P1870 HydrophobicContact CE2-CG 3.99Å; F1868-P1870 HydrophobicContact CZ-CB 3.94Å; F1868-P1870 HydrophobicContact CZ-CG 3.58Å; F1868-S1871 WeakPolarHBondContact CD1-OG 3.3Å; F1868-S1871 PolarHBondContact O-N 3.5Å; F1868-G1872 WeakPolarHBondContact O-CA 3.05Å; F1868-G1872 PolarHBondContact O-N 3.34Å; F1868-I1873 PolarHBondContact N-O 3.23Å |
| 1869 | L | 67.5 | Low | 76.6 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -55.7 | -56.2 | -173.5 | -76.5 | 169.9 | 0 | 0 | 0 | 111.3 | F1794 W1831 L1833 I1848 G1852 H1853 L1855 W1867 S1871 G1872 | F1794-L1869 HydrophobicContact CE1-CD2 3.9Å; F1794-L1869 HydrophobicContact CE2-CD1 4.34Å; F1794-L1869 HydrophobicContact CZ-CD1 4Å; F1794-L1869 HydrophobicContact CZ-CD2 3.69Å; W1831-L1869 HydrophobicContact CH2-CB 3.87Å; W1831-L1869 HydrophobicContact CH2-CD2 4.45Å; W1831-L1869 WeakPolarHBondContact CH2-O 3.44Å; W1831-L1869 VanDerWaalsContact CZ2-C 3.48Å; W1831-L1869 WeakPolarHBondContact CZ2-O 3.44Å; L1833-L1869 HydrophobicContact CD2-CD2 3.51Å; I1848-L1869 HydrophobicContact CG2-CD1 4.33Å; G1852-L1869 WeakPolarHBondContact O-CD1 3.45Å; H1853-L1869 WeakPolarHBondContact O-CB 3.46Å; H1853-L1869 PolarHBondContact O-N 3.21Å; L1855-L1869 HydrophobicContact CB-CD1 4.17Å; L1855-L1869 HydrophobicContact CB-CD2 3.74Å; L1855-L1869 HydrophobicContact CB-CG 3.86Å; L1855-L1869 HydrophobicContact CD2-CD2 4.14Å; W1867-L1869 PolarHBondContact O-N 2.97Å; L1869-S1871 PolarHBondContact O-N 2.76Å; L1869-G1872 PolarHBondContact O-N 2.88Å |
| 1870 | P | 59 | Low | 76 | Confident | 57 Ų | 57 | 37.5 Ų | 37.5 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -52.2 | -31.8 | -173.4 | -28.6 | 36.4 | 0 | 0 | 0 | 115.9 | W1831 F1868 | W1831-P1870 VanDerWaalsContact CZ2-CA 3.43Å; F1868-P1870 HydrophobicContact CD1-CB 4.32Å; F1868-P1870 HydrophobicContact CD1-CG 4.44Å; F1868-P1870 HydrophobicContact CE1-CB 3.7Å; F1868-P1870 HydrophobicContact CE1-CG 3.84Å; F1868-P1870 HydrophobicContact CE2-CG 3.99Å; F1868-P1870 HydrophobicContact CZ-CB 3.94Å; F1868-P1870 HydrophobicContact CZ-CG 3.58Å |
| 1871 | S | 62.7 | Low | 75.6 | Confident | 61 Ų | 61 | 36.2 Ų | 36.2 | 43% | 0.427 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -105.4 | -16.3 | 177.4 | 70.9 | 0 | 0 | 0 | 0 | 114.7 | F1868 L1869 I1873 | F1868-S1871 WeakPolarHBondContact CD1-OG 3.3Å; F1868-S1871 PolarHBondContact O-N 3.5Å; L1869-S1871 PolarHBondContact O-N 2.76Å; S1871-I1873 PolarHBondContact O-N 3.24Å; S1871-I1873 WeakPolarHBondContact OG-CB 3.39Å; S1871-I1873 WeakPolarHBondContact OG-CD1 3.24Å; S1871-I1873 VanDerWaalsContact OG-CG1 3.27Å; S1871-I1873 WeakPolarHBondContact OG-CG1 3.23Å; S1871-I1873 PolarHBondContact OG-N 3.17Å |
| 1872 | G | 68.2 | Low | 74.9 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 19% | 0.186 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 12.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1835 F1868 L1869 | L1835-G1872 VanDerWaalsContact CD2-O 3.26Å; L1835-G1872 WeakPolarHBondContact CD2-O 3.33Å; F1868-G1872 WeakPolarHBondContact O-CA 3.05Å; F1868-G1872 PolarHBondContact O-N 3.34Å; L1869-G1872 PolarHBondContact O-N 2.88Å |
| 1873 | I | 72.8 | Confident | 74.5 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 33% | 0.328 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.3 | -176.2 | -61.6 | 169.7 | 0 | 0 | 0 | 110.4 | F1868 S1871 A1875 I1925 | F1868-I1873 PolarHBondContact N-O 3.23Å; S1871-I1873 PolarHBondContact O-N 3.24Å; S1871-I1873 WeakPolarHBondContact OG-CB 3.39Å; S1871-I1873 WeakPolarHBondContact OG-CD1 3.24Å; S1871-I1873 VanDerWaalsContact OG-CG1 3.27Å; S1871-I1873 WeakPolarHBondContact OG-CG1 3.23Å; S1871-I1873 PolarHBondContact OG-N 3.17Å; I1873-A1875 PolarHBondContact O-N 2.68Å; I1873-I1925 HydrophobicContact CD1-CG2 4.44Å |
| 1874 | L | 78.2 | Confident | 74.4 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 114.5 | 169.6 | -179.3 | 66.4 | 0 | 0 | 0 | 109.2 | K1865 W1867 F1876 | K1865-L1874 HydrophobicContact CB-CD1 3.62Å; K1865-L1874 HydrophobicContact CD-CD1 3.97Å; K1865-L1874 HydrophobicContact CG-CD1 3.87Å; W1867-L1874 HydrophobicContact CD2-CD1 4.14Å; W1867-L1874 HydrophobicContact CE3-CB 3.96Å; W1867-L1874 HydrophobicContact CE3-CD1 4.28Å; W1867-L1874 HydrophobicContact CH2-CB 4.04Å; W1867-L1874 HydrophobicContact CH2-CD1 3.98Å; W1867-L1874 HydrophobicContact CH2-CG 4.46Å; W1867-L1874 HydrophobicContact CZ2-CD1 3.79Å; W1867-L1874 HydrophobicContact CZ3-CB 3.65Å; W1867-L1874 HydrophobicContact CZ3-CD1 4.22Å; W1867-L1874 HydrophobicContact CZ3-CG 4.5Å; L1874-F1876 WeakPolarHBondContact CD1-O 3.45Å |
| 1875 | A | 76.5 | Confident | 74.2 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -20.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1854 V1866 I1873 L1921 Q1924 | W1854-A1875 HydrophobicContact CE3-CB 4.4Å; W1854-A1875 HydrophobicContact CZ3-CB 3.7Å; V1866-A1875 PolarHBondContact O-N 3.15Å; I1873-A1875 PolarHBondContact O-N 2.68Å; A1875-L1921 HydrophobicContact CB-CB 4.49Å; A1875-L1921 HydrophobicContact CB-CD2 3.86Å; A1875-Q1924 PolarHBondContact O-OE1 2.6Å |
| 1876 | F | 79 | Confident | 73.8 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.044 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 145.7 | 175.9 | -177.5 | -106.4 | 0 | 0 | 0 | 111.4 | V1866 L1874 T1878 M1902 W1914 L1916 L1921 K1987 | V1866-F1876 HydrophobicContact CB-CB 4.06Å; V1866-F1876 HydrophobicContact CG2-CB 4.3Å; V1866-F1876 HydrophobicContact CG2-CD1 4.2Å; V1866-F1876 PolarHBondContact N-O 3.3Å; V1866-F1876 PolarHBondContact O-N 2.96Å; L1874-F1876 WeakPolarHBondContact CD1-O 3.45Å; F1876-T1878 HydrophobicContact CD1-CG2 4.48Å; F1876-T1878 HydrophobicContact CE1-CG2 3.98Å; F1876-M1902 HydrophobicContact CD1-CE 4.3Å; F1876-M1902 HydrophobicContact CE1-CE 4.4Å; F1876-W1914 HydrophobicContact CE1-CD2 4.49Å; F1876-W1914 AromaticContact CE1-CE3 3.98Å; F1876-W1914 HydrophobicContact CE1-CE3 3.98Å; F1876-W1914 HydrophobicContact CE1-CZ3 4.34Å; F1876-W1914 HydrophobicContact CZ-CE3 4.03Å; F1876-W1914 HydrophobicContact CZ-CZ3 4.17Å; F1876-L1916 HydrophobicContact CD1-CD1 4.37Å; F1876-L1916 HydrophobicContact CD1-CD2 3.88Å; F1876-L1916 HydrophobicContact CD2-CD2 4.11Å; F1876-L1916 HydrophobicContact CE1-CD2 3.96Å; F1876-L1916 HydrophobicContact CE2-CD2 4.2Å; F1876-L1916 HydrophobicContact CG-CD2 3.95Å; F1876-L1916 HydrophobicContact CZ-CD2 4.12Å; F1876-L1921 HydrophobicContact CB-CD2 3.93Å; F1876-K1987 HydrophobicContact CE2-CB 4.08Å; F1876-K1987 HydrophobicContact CE2-CD 4.42Å; F1876-K1987 HydrophobicContact CZ-CB 4.16Å; F1876-K1987 HydrophobicContact CZ-CD 4.42Å |
| 1877 | D | 80.3 | Confident | 73.4 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.9 | 172.5 | -170.2 | -28.9 | 0 | 0 | 0 | 108.6 | G1879 | D1877-G1879 PolarHBondContact O-N 3.05Å; D1877-G1879 PolarHBondContact OD1-N 3.48Å |
| 1878 | T | 75.4 | Confident | 73.6 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 9% | 0.086 | 21% | 0.212 | C | C | . | . | trans | -69.5 | -13.9 | 179 | 59 | 0 | 0 | 0 | 0 | 113.4 | A1864 F1876 H1881 M1902 W1914 | A1864-T1878 HydrophobicContact CB-CG2 3.84Å; A1864-T1878 PolarHBondContact N-OG1 3Å; A1864-T1878 WeakPolarHBondContact O-CG2 3.24Å; A1864-T1878 PolarHBondContact O-N 3.37Å; A1864-T1878 PolarHBondContact O-OG1 3.48Å; F1876-T1878 HydrophobicContact CD1-CG2 4.48Å; F1876-T1878 HydrophobicContact CE1-CG2 3.98Å; T1878-H1881 PolarHBondContact OG1-NE2 2.78Å; T1878-M1902 HydrophobicContact CG2-CE 4.45Å; T1878-W1914 HydrophobicContact CG2-CD2 4.03Å; T1878-W1914 HydrophobicContact CG2-CE3 4.43Å; T1878-W1914 HydrophobicContact CG2-CH2 4.02Å; T1878-W1914 HydrophobicContact CG2-CZ2 3.59Å; T1878-W1914 HydrophobicContact CG2-CZ3 4.42Å; T1878-W1914 WeakPolarHBondContact O-CH2 3.32Å | ||
| 1879 | G | 73.2 | Confident | 73.8 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | trans | 76 | -176.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1877 H1881 | D1877-G1879 PolarHBondContact O-N 3.05Å; D1877-G1879 PolarHBondContact OD1-N 3.48Å; G1879-H1881 PolarHBondContact O-CD2 3.07Å; G1879-H1881 PolarHBondContact O-N 3.08Å | ||
| 1880 | M | 70.2 | Confident | 74.3 | Confident | 156 Ų | 156 | 36 Ų | 36 | 77% | 0.768 | 20% | 0.203 | S | C | * | . | trans | -74.1 | 110.4 | -176.3 | -69.1 | -173.6 | 70 | 0 | 0 | 112.3 | ||||
| 1881 | H | 72.9 | Confident | 75.1 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | trans | -64.5 | 154.1 | 162.6 | -70 | -118.4 | 0 | 0 | 0 | 110.3 | K1862 T1878 G1879 M1883 V1885 T1904 R1912 W1914 | K1862-H1881 HydrophobicContact CB-CB 4.37Å; K1862-H1881 WeakPolarHBondContact CB-O 3.46Å; K1862-H1881 WeakPolarHBondContact O-CA 3.48Å; K1862-H1881 WeakPolarHBondContact O-CB 3.28Å; K1862-H1881 PolarHBondContact O-CD2 3.16Å; K1862-H1881 PolarHBondContact O-N 3.44Å; T1878-H1881 PolarHBondContact OG1-NE2 2.78Å; G1879-H1881 PolarHBondContact O-CD2 3.07Å; G1879-H1881 PolarHBondContact O-N 3.08Å; H1881-M1883 WeakPolarHBondContact CB-O 3.41Å; H1881-M1883 PolarHBondContact O-N 2.8Å; H1881-V1885 HydrophobicContact CB-CG2 4.09Å; H1881-T1904 PolarHBondContact CE1-OG1 3.04Å; H1881-T1904 VanDerWaalsContact CE1-OG1 3.32Å; H1881-R1912 PolarHBondContact ND1-NH1 3.04Å; H1881-W1914 AromaticContact NE2-CZ2 3.86Å | ||
| 1882 | P | 64.8 | Low | 75.1 | Confident | 63 Ų | 63 | 33.5 Ų | 33.5 | 41% | 0.409 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -62.1 | -33.5 | 176.6 | 23.9 | -31.9 | 0 | 0 | 0 | 111.7 | K1862 D1906 R1912 | K1862-P1882 PolarHBondContact NZ-O 3.48Å; P1882-D1906 WeakPolarHBondContact CG-OD2 3.44Å; P1882-R1912 VanDerWaalsContact CG-NH2 3.32Å |
| 1883 | M | 74.5 | Confident | 74.8 | Confident | 50 Ų | 50 | 35.4 Ų | 35.4 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -133.3 | 171.7 | -174.8 | -65.8 | -60.7 | 141.6 | 0 | 0 | 112.1 | Q670 H1881 V1885 D1906 D1907 | Q670-M1883 VanDerWaalsContact NE2-CE 3.34Å; H1881-M1883 WeakPolarHBondContact CB-O 3.41Å; H1881-M1883 PolarHBondContact O-N 2.8Å; M1883-V1885 PolarHBondContact O-N 3.32Å; M1883-D1906 HydrophobicContact CB-CB 4.23Å; M1883-D1907 HydrophobicContact CB-CB 3.98Å |
| 1884 | C | 79 | Confident | 73.8 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | trans | -58.4 | 132.8 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 110 | R1886 D1906 D1907 | C1884-R1886 PolarHBondContact O-N 3.31Å; C1884-D1906 CarbonylContact O-C 3.55Å; C1884-D1906 VanDerWaalsContact O-CA 3.24Å; C1884-D1906 WeakPolarHBondContact O-CA 3.41Å; C1884-D1906 WeakPolarHBondContact O-CB 3.44Å; C1884-D1907 WeakPolarHBondContact CB-OD2 3.21Å; C1884-D1907 PolarHBondContact O-N 3.44Å | ||
| 1885 | V | 80.9 | Confident | 72.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121.3 | 171.4 | -176 | 0 | 0 | 0 | 0 | 106.4 | T1844 S1859 A1864 H1881 M1883 V1888 | T1844-V1885 WeakPolarHBondContact CB-O 3.37Å; T1844-V1885 PolarHBondContact OG1-O 3Å; S1859-V1885 PolarHBondContact O-N 3.48Å; A1864-V1885 HydrophobicContact CB-CG1 4.47Å; H1881-V1885 HydrophobicContact CB-CG2 4.09Å; M1883-V1885 PolarHBondContact O-N 3.32Å; V1885-V1888 HydrophobicContact CG1-CG1 3.66Å |
| 1886 | R | 77.3 | Confident | 70.6 | Confident | 79 Ų | 79 | 46.5 Ų | 46.5 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -31.8 | -179 | -75.7 | -68.1 | 178.5 | -152.7 | -14.4 | 113.1 | N1845 C1884 G1905 D1907 L2003 | N1845-R1886 WeakPolarHBondContact CB-O 3.49Å; C1884-R1886 PolarHBondContact O-N 3.31Å; R1886-G1905 PolarHBondContact N-O 3.03Å; R1886-D1907 WeakPolarHBondContact CD-OD1 3.29Å; R1886-D1907 WeakPolarHBondContact CG-OD1 3.43Å; R1886-D1907 IonicContact CZ-OD1 3.48Å; R1886-D1907 IonicContact CZ-OD2 2.84Å; R1886-D1907 IonicContact NE-OD1 3.58Å; R1886-D1907 PolarHBondContact NE-OD1 3.39Å; R1886-D1907 IonicContact NE-OD2 2.84Å; R1886-D1907 PolarHBondContact NE-OD2 3.31Å; R1886-D1907 IonicContact NH2-OD1 3.34Å; R1886-D1907 IonicContact NH2-OD2 3.22Å; R1886-D1907 PolarHBondContact NH2-OD2 3.02Å; R1886-L2003 WeakPolarHBondContact CB-O 3.3Å |
| 1887 | S | 73.7 | Confident | 69.2 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.2 | -176.5 | -164.6 | 0 | 0 | 0 | 0 | 110.6 | N1845 T1904 G1905 L2006 | N1845-S1887 WeakPolarHBondContact ND2-CA 3.5Å; N1845-S1887 PolarHBondContact ND2-OG 3.24Å; S1887-T1904 CarbonylContact O-C 3.55Å; S1887-T1904 WeakPolarHBondContact O-CA 3.4Å; S1887-G1905 PolarHBondContact N-O 3.01Å; S1887-G1905 PolarHBondContact O-N 3.37Å; S1887-L2006 WeakPolarHBondContact OG-CB 3.46Å; S1887-L2006 PolarHBondContact OG-N 3.36Å |
| 1888 | V | 83.6 | Confident | 68.1 | Low | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.5 | 172.6 | -60.7 | 0 | 0 | 0 | 0 | 108.2 | N1845 A1846 V1856 A1864 V1885 V1903 T1904 | N1845-V1888 HydrophobicContact CB-CG2 4.37Å; N1845-V1888 PolarHBondContact ND2-N 3.2Å; N1845-V1888 PolarHBondContact ND2-O 3.26Å; A1846-V1888 VanDerWaalsContact CA-CG2 3.44Å; V1856-V1888 HydrophobicContact CG1-CB 3.96Å; V1856-V1888 HydrophobicContact CG1-CG2 3.78Å; V1856-V1888 HydrophobicContact CG2-CB 4.1Å; V1856-V1888 HydrophobicContact CG2-CG1 4.26Å; V1856-V1888 HydrophobicContact CG2-CG2 4.31Å; A1864-V1888 HydrophobicContact CB-CG1 4.36Å; V1885-V1888 HydrophobicContact CG1-CG1 3.66Å; V1888-V1903 CarbonylContact C-O 3.58Å; V1888-V1903 VanDerWaalsContact CA-O 3.27Å; V1888-V1903 WeakPolarHBondContact CA-O 3.29Å; V1888-T1904 HydrophobicContact CG1-CG2 3.94Å |
| 1889 | A | 79.8 | Confident | 67.6 | Low | 6 Ų | 6 | 53.8 Ų | 53.8 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 136.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1847 V1903 | D1847-A1889 VanDerWaalsContact OD2-CA 3.29Å; D1847-A1889 WeakPolarHBondContact OD2-CA 3.33Å; A1889-V1903 PolarHBondContact N-O 3.17Å; A1889-V1903 PolarHBondContact O-N 3.16Å |
| 1890 | F | 77.7 | Confident | 67.6 | Low | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.022 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.4 | 167.9 | -76.3 | -71.1 | 0 | 0 | 0 | 110.7 | D1847 I1848 G1849 W1854 V1856 V1866 L1900 M1902 | D1847-F1890 HydrophobicContact CB-CD2 4.12Å; D1847-F1890 VanDerWaalsContact O-CE2 3.22Å; D1847-F1890 WeakPolarHBondContact O-CE2 3.45Å; D1847-F1890 PolarHBondContact OD2-N 2.74Å; I1848-F1890 WeakPolarHBondContact O-CD2 3.41Å; G1849-F1890 VanDerWaalsContact CA-CD2 3.41Å; G1849-F1890 VanDerWaalsContact CA-CG 3.46Å; W1854-F1890 HydrophobicContact CB-CE1 4.4Å; W1854-F1890 HydrophobicContact CB-CE2 4.48Å; W1854-F1890 HydrophobicContact CB-CZ 3.84Å; V1856-F1890 HydrophobicContact CB-CE2 3.8Å; V1856-F1890 HydrophobicContact CB-CZ 3.88Å; V1856-F1890 HydrophobicContact CG1-CD2 3.77Å; V1856-F1890 HydrophobicContact CG1-CE2 3.49Å; V1856-F1890 VanDerWaalsContact CG1-CE2 3.49Å; V1856-F1890 HydrophobicContact CG1-CZ 3.99Å; V1866-F1890 HydrophobicContact CG1-CZ 4.48Å; F1890-L1900 HydrophobicContact CD1-CD1 3.98Å; F1890-L1900 HydrophobicContact CD1-CD2 4.11Å; F1890-L1900 HydrophobicContact CD1-CG 4.06Å; F1890-L1900 HydrophobicContact CE1-CD1 4.25Å; F1890-L1900 HydrophobicContact CE1-CD2 3.54Å; F1890-L1900 HydrophobicContact CE1-CG 3.97Å; F1890-L1900 HydrophobicContact CZ-CD2 4.39Å; F1890-M1902 HydrophobicContact CD1-CB 4.17Å; F1890-M1902 HydrophobicContact CE1-CB 4.2Å |
| 1891 | Q | 75.9 | Confident | 68 | Low | 24 Ų | 24 | 47.3 Ų | 47.3 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | trans | -64.2 | 136 | 173.9 | -167.8 | -179.5 | 13.1 | 0 | 0 | 110.2 | P1850 I1901 W2008 G2012 | P1850-Q1891 WeakPolarHBondContact CD-O 3.43Å; P1850-Q1891 WeakPolarHBondContact CG-O 3.29Å; Q1891-I1901 HydrophobicContact CB-CB 4.34Å; Q1891-I1901 PolarHBondContact N-O 3.33Å; Q1891-W2008 HydrophobicContact CB-CH2 4.43Å; Q1891-W2008 HydrophobicContact CB-CZ2 4.02Å; Q1891-W2008 HydrophobicContact CG-CD2 4.29Å; Q1891-W2008 HydrophobicContact CG-CE3 4.24Å; Q1891-W2008 HydrophobicContact CG-CH2 4.07Å; Q1891-W2008 HydrophobicContact CG-CZ2 4.14Å; Q1891-W2008 HydrophobicContact CG-CZ3 4.14Å; Q1891-G2012 PolarHBondContact NE2-O 3.37Å | ||
| 1892 | P | 62.5 | Low | 68.4 | Low | 42 Ų | 42 | 47 Ų | 47 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -76.6 | -25.9 | -171.1 | 26.3 | -33 | 0 | 0 | 0 | 114.7 | P1850 W2008 S2009 | P1850-P1892 WeakPolarHBondContact CB-O 3.34Å; P1892-W2008 HydrophobicContact CG-CB 4.06Å; P1892-S2009 WeakPolarHBondContact CG-O 3.24Å |
| 1893 | V | 62.3 | Low | 69.3 | Low | 57 Ų | 57 | 44 Ų | 44 | 35% | 0.345 | 24% | 0.24 | S | C | . | . | trans | -109.1 | 130.7 | -175.6 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | E1895 D2011 | V1893-E1895 HydrophobicContact CG1-CG 4.19Å; V1893-D2011 WeakPolarHBondContact CG2-O 3.49Å | ||
| 1894 | V | 51.8 | Low | 69.8 | Low | 80 Ų | 80 | 41.6 Ų | 41.6 | 49% | 0.485 | 23% | 0.228 | S | C | . | . | trans | -101.2 | 94 | 169.5 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | P1850 L1896 | P1850-V1894 HydrophobicContact CB-CG2 4.12Å; P1850-V1894 HydrophobicContact CG-CG2 3.55Å; V1894-L1896 PolarHBondContact O-N 3.47Å | ||
| 1895 | E | 43.3 | Very low | 69.8 | Low | 95 Ų | 95 | 40.4 Ų | 40.4 | 44% | 0.444 | 22% | 0.22 | S | C | . | . | trans | -71.1 | 99.3 | 170.1 | -76 | -173.7 | 169 | 0 | 0 | 108.7 | V1893 G1897 S2029 | V1893-E1895 HydrophobicContact CG1-CG 4.19Å; E1895-G1897 PolarHBondContact O-N 3.19Å; E1895-S2029 PolarHBondContact OE2-OG 3.11Å | ||
| 1896 | L | 44.2 | Very low | 69.6 | Low | 191 Ų | 191 | 40.4 Ų | 40.4 | 100% | 1 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 43 | 15.1 | 159.9 | -89.1 | 137.9 | 0 | 0 | 0 | 120.5 | V1894 | V1894-L1896 PolarHBondContact O-N 3.47Š|
| 1897 | G | 49.1 | Very low | 69.4 | Low | 39 Ų | 39 | 37.7 Ų | 37.7 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -130.4 | 158.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1895 E1899 | E1895-G1897 PolarHBondContact O-N 3.19Å; G1897-E1899 PolarHBondContact O-N 3.08Å |
| 1898 | D | 58 | Low | 68.9 | Low | 122 Ų | 122 | 39.6 Ų | 39.6 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -71.7 | 11.2 | 178.4 | -83 | -16.3 | 0 | 0 | 0 | 114.3 | T1918 | D1898-T1918 WeakPolarHBondContact CB-OG1 3.31Å; D1898-T1918 PolarHBondContact O-N 3.29Å; D1898-T1918 VanDerWaalsContact O-N 3.1Å; D1898-T1918 PolarHBondContact O-OG1 3.31Å |
| 1899 | E | 64.6 | Low | 68 | Low | 71 Ų | 71 | 39.5 Ų | 39.5 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.1 | -173.9 | -62.3 | -167.4 | 153 | 0 | 0 | 112.1 | G1897 R1915 T1917 | G1897-E1899 PolarHBondContact O-N 3.08Å; E1899-R1915 HydrophobicContact CB-CG 4.33Å; E1899-R1915 WeakPolarHBondContact OE2-CD 3.33Å; E1899-R1915 IonicContact OE2-CZ 3.45Å; E1899-R1915 IonicContact OE2-NE 3.6Å; E1899-R1915 IonicContact OE2-NH1 2.97Å; E1899-T1917 HydrophobicContact CG-CG2 4.14Å |
| 1900 | L | 72.7 | Confident | 67.5 | Low | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.5 | 175.8 | -177.1 | 68.4 | 0 | 0 | 0 | 109.6 | P1850 W1854 F1890 L1916 L1921 | P1850-L1900 HydrophobicContact CG-CD1 4.34Å; W1854-L1900 HydrophobicContact CB-CD2 4.18Å; W1854-L1900 HydrophobicContact CG-CD2 3.92Å; F1890-L1900 HydrophobicContact CD1-CD1 3.98Å; F1890-L1900 HydrophobicContact CD1-CD2 4.11Å; F1890-L1900 HydrophobicContact CD1-CG 4.06Å; F1890-L1900 HydrophobicContact CE1-CD1 4.25Å; F1890-L1900 HydrophobicContact CE1-CD2 3.54Å; F1890-L1900 HydrophobicContact CE1-CG 3.97Å; F1890-L1900 HydrophobicContact CZ-CD2 4.39Å; L1900-L1916 HydrophobicContact CB-CB 4.42Å; L1900-L1916 PolarHBondContact N-O 3.38Å; L1900-L1916 PolarHBondContact O-N 3.26Å; L1900-L1921 HydrophobicContact CD2-CD1 4.45Å |
| 1901 | I | 78.5 | Confident | 67.5 | Low | 14 Ų | 14 | 39.9 Ų | 39.9 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.8 | 177.9 | -56.2 | -176.3 | 0 | 0 | 0 | 110.3 | Q1891 V1913 W1914 | Q1891-I1901 HydrophobicContact CB-CB 4.34Å; Q1891-I1901 PolarHBondContact N-O 3.33Å; I1901-V1913 HydrophobicContact CG2-CG1 3.81Å; I1901-W1914 WeakPolarHBondContact CA-O 3.39Å |
| 1902 | M | 83.3 | Confident | 67.9 | Low | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.4 | -179.4 | 160.1 | -178.9 | 67 | 0 | 0 | 110 | V1856 V1866 F1876 T1878 F1890 W1914 L1916 | V1856-M1902 HydrophobicContact CB-SD 3.87Å; V1856-M1902 HydrophobicContact CG1-SD 4.49Å; V1856-M1902 HydrophobicContact CG2-CG 4.41Å; V1856-M1902 HydrophobicContact CG2-SD 3.4Å; V1856-M1902 WeakPolarHBondContact CG2-SD 3.2Å; V1866-M1902 HydrophobicContact CG2-CE 3.6Å; V1866-M1902 HydrophobicContact CG2-SD 3.51Å; V1866-M1902 VanDerWaalsContact CG2-SD 3.51Å; F1876-M1902 HydrophobicContact CD1-CE 4.3Å; F1876-M1902 HydrophobicContact CE1-CE 4.4Å; T1878-M1902 HydrophobicContact CG2-CE 4.45Å; F1890-M1902 HydrophobicContact CD1-CB 4.17Å; F1890-M1902 HydrophobicContact CE1-CB 4.2Å; M1902-W1914 HydrophobicContact CB-CB 4.4Å; M1902-W1914 HydrophobicContact CE-CB 3.56Å; M1902-W1914 HydrophobicContact CE-CG 3.72Å; M1902-W1914 PolarHBondContact N-O 3.41Å; M1902-W1914 PolarHBondContact O-N 2.59Å; M1902-L1916 HydrophobicContact CE-CD1 3.56Å; M1902-L1916 HydrophobicContact CE-CG 4.39Å |
| 1903 | V | 83.3 | Confident | 68.7 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.3 | 179.1 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | V1888 A1889 L1911 R1912 V1913 L2006 W2008 L2015 | V1888-V1903 CarbonylContact C-O 3.58Å; V1888-V1903 VanDerWaalsContact CA-O 3.27Å; V1888-V1903 WeakPolarHBondContact CA-O 3.29Å; A1889-V1903 PolarHBondContact N-O 3.17Å; A1889-V1903 PolarHBondContact O-N 3.16Å; V1903-L1911 HydrophobicContact CG1-CD1 3.37Å; V1903-L1911 HydrophobicContact CG1-CD2 3.95Å; V1903-L1911 HydrophobicContact CG1-CG 3.51Å; V1903-R1912 CarbonylContact C-O 3.55Å; V1903-R1912 WeakPolarHBondContact CA-O 3.06Å; V1903-R1912 WeakPolarHBondContact CG1-O 3.47Å; V1903-V1913 HydrophobicContact CG1-CG2 4.07Å; V1903-V1913 HydrophobicContact CG2-CG1 4.26Å; V1903-V1913 HydrophobicContact CG2-CG2 4.07Å; V1903-L2006 HydrophobicContact CG1-CD1 4.2Å; V1903-W2008 HydrophobicContact CG2-CZ2 3.59Å; V1903-L2015 HydrophobicContact CB-CD2 4.28Å; V1903-L2015 HydrophobicContact CG1-CD2 3.81Å; V1903-L2015 HydrophobicContact CG2-CD2 4.11Å |
| 1904 | T | 83.7 | Confident | 69.6 | Low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.4 | 179 | 58.5 | 0 | 0 | 0 | 0 | 110 | A1864 H1881 S1887 V1888 L1911 R1912 W1914 | A1864-T1904 HydrophobicContact CB-CG2 3.89Å; H1881-T1904 PolarHBondContact CE1-OG1 3.04Å; H1881-T1904 VanDerWaalsContact CE1-OG1 3.32Å; S1887-T1904 CarbonylContact O-C 3.55Å; S1887-T1904 WeakPolarHBondContact O-CA 3.4Å; V1888-T1904 HydrophobicContact CG1-CG2 3.94Å; T1904-L1911 CarbonylContact O-C 3.51Å; T1904-R1912 PolarHBondContact N-O 2.89Å; T1904-R1912 PolarHBondContact O-N 3.08Å; T1904-R1912 WeakPolarHBondContact OG1-CB 3.47Å; T1904-R1912 PolarHBondContact OG1-O 2.78Å; T1904-W1914 PolarHBondContact OG1-NE1 3.16Å |
| 1905 | G | 79.4 | Confident | 70.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1886 S1887 T1910 | R1886-G1905 PolarHBondContact N-O 3.03Å; S1887-G1905 PolarHBondContact N-O 3.01Å; S1887-G1905 PolarHBondContact O-N 3.37Å; G1905-T1910 WeakPolarHBondContact CA-O 3.4Å |
| 1906 | D | 76.7 | Confident | 72.2 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 166.4 | -179.4 | 68.9 | 20.4 | 0 | 0 | 0 | 114.3 | P1882 M1883 C1884 G1908 G1909 T1910 R1912 L2003 | P1882-D1906 WeakPolarHBondContact CG-OD2 3.44Å; M1883-D1906 HydrophobicContact CB-CB 4.23Å; C1884-D1906 CarbonylContact O-C 3.55Å; C1884-D1906 VanDerWaalsContact O-CA 3.24Å; C1884-D1906 WeakPolarHBondContact O-CA 3.41Å; C1884-D1906 WeakPolarHBondContact O-CB 3.44Å; D1906-G1908 PolarHBondContact O-N 2.95Å; D1906-G1908 VanDerWaalsContact O-N 3.09Å; D1906-G1908 VanDerWaalsContact OD1-CA 3.26Å; D1906-G1908 WeakPolarHBondContact OD1-CA 3.38Å; D1906-G1908 PolarHBondContact OD1-N 3.33Å; D1906-G1909 PolarHBondContact O-N 3.03Å; D1906-G1909 PolarHBondContact OD1-N 3.14Å; D1906-T1910 PolarHBondContact N-O 3.5Å; D1906-T1910 WeakPolarHBondContact OD1-CB 3.38Å; D1906-T1910 PolarHBondContact OD1-N 2.97Å; D1906-T1910 PolarHBondContact OD1-OG1 3.1Å; D1906-T1910 PolarHBondContact OD2-OG1 3.15Å; D1906-R1912 IonicContact OD2-CZ 3.52Å; D1906-R1912 IonicContact OD2-NH1 3.48Å; D1906-R1912 PolarHBondContact OD2-NH1 2.81Å; D1906-R1912 IonicContact OD2-NH2 3.97Å; D1906-L2003 PolarHBondContact O-N 3.24Å |
| 1907 | D | 73.5 | Confident | 73.4 | Confident | 23 Ų | 23 | 23.7 Ų | 23.7 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -9.5 | 174.1 | -71.5 | -25.2 | 0 | 0 | 0 | 112.6 | M1883 C1884 R1886 W2002 | M1883-D1907 HydrophobicContact CB-CB 3.98Å; C1884-D1907 WeakPolarHBondContact CB-OD2 3.21Å; C1884-D1907 PolarHBondContact O-N 3.44Å; R1886-D1907 WeakPolarHBondContact CD-OD1 3.29Å; R1886-D1907 WeakPolarHBondContact CG-OD1 3.43Å; R1886-D1907 IonicContact CZ-OD1 3.48Å; R1886-D1907 IonicContact CZ-OD2 2.84Å; R1886-D1907 IonicContact NE-OD1 3.58Å; R1886-D1907 PolarHBondContact NE-OD1 3.39Å; R1886-D1907 IonicContact NE-OD2 2.84Å; R1886-D1907 PolarHBondContact NE-OD2 3.31Å; R1886-D1907 IonicContact NH2-OD1 3.34Å; R1886-D1907 IonicContact NH2-OD2 3.22Å; R1886-D1907 PolarHBondContact NH2-OD2 3.02Å; D1907-W2002 HydrophobicContact CB-CG 4.45Å |
| 1908 | G | 62.6 | Low | 74.1 | Confident | 40 Ų | 40 | 24.3 Ų | 24.3 | 41% | 0.412 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -1.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1906 T1910 | D1906-G1908 PolarHBondContact O-N 2.95Å; D1906-G1908 VanDerWaalsContact O-N 3.09Å; D1906-G1908 VanDerWaalsContact OD1-CA 3.26Å; D1906-G1908 WeakPolarHBondContact OD1-CA 3.38Å; D1906-G1908 PolarHBondContact OD1-N 3.33Å; G1908-T1910 VanDerWaalsContact C-N 3.25Å |
| 1909 | G | 65.6 | Low | 74.1 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 76.2 | 14.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1906 A1995 T2001 | D1906-G1909 PolarHBondContact O-N 3.03Å; D1906-G1909 PolarHBondContact OD1-N 3.14Å; G1909-A1995 WeakPolarHBondContact O-CB 3.33Å; G1909-A1995 PolarHBondContact O-N 3.34Å; G1909-T2001 WeakPolarHBondContact CA-O 3.18Å; G1909-T2001 PolarHBondContact N-O 3.33Å; G1909-T2001 VanDerWaalsContact N-O 3.08Å |
| 1910 | T | 70 | Confident | 73.9 | Confident | 18 Ų | 18 | 26.1 Ų | 26.1 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.7 | -178.2 | -20.5 | 0 | 0 | 0 | 0 | 109.8 | G1905 D1906 G1908 T1994 | G1905-T1910 WeakPolarHBondContact CA-O 3.4Å; D1906-T1910 PolarHBondContact N-O 3.5Å; D1906-T1910 WeakPolarHBondContact OD1-CB 3.38Å; D1906-T1910 PolarHBondContact OD1-N 2.97Å; D1906-T1910 PolarHBondContact OD1-OG1 3.1Å; D1906-T1910 PolarHBondContact OD2-OG1 3.15Å; G1908-T1910 VanDerWaalsContact C-N 3.25Å; T1910-T1994 HydrophobicContact CG2-CG2 4.33Å |
| 1911 | L | 77.5 | Confident | 73.2 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.6 | 162.2 | -164.5 | 83.6 | 0 | 0 | 0 | 108.8 | V1903 T1904 V1913 Y1992 S1993 L2003 L2006 L2015 W2025 | V1903-L1911 HydrophobicContact CG1-CD1 3.37Å; V1903-L1911 HydrophobicContact CG1-CD2 3.95Å; V1903-L1911 HydrophobicContact CG1-CG 3.51Å; T1904-L1911 CarbonylContact O-C 3.51Å; L1911-V1913 HydrophobicContact CD2-CG2 4.19Å; L1911-Y1992 CarbonylContact O-C 3.27Å; L1911-Y1992 VanDerWaalsContact O-CA 3.26Å; L1911-Y1992 WeakPolarHBondContact O-CA 3.45Å; L1911-S1993 WeakPolarHBondContact CA-O 3.31Å; L1911-S1993 VanDerWaalsContact CB-O 3.28Å; L1911-S1993 WeakPolarHBondContact CB-O 3.41Å; L1911-S1993 PolarHBondContact N-O 3.16Å; L1911-S1993 PolarHBondContact O-N 3.17Å; L1911-L2003 HydrophobicContact CB-CD1 4.2Å; L1911-L2003 HydrophobicContact CD1-CD1 4.29Å; L1911-L2006 HydrophobicContact CD1-CD1 3.63Å; L1911-L2006 HydrophobicContact CD1-CD2 3.46Å; L1911-L2006 VanDerWaalsContact CD1-CD2 3.46Å; L1911-L2006 HydrophobicContact CD1-CG 4.21Å; L1911-L2015 HydrophobicContact CD1-CD2 3.97Å; L1911-L2015 HydrophobicContact CD2-CD2 3.79Å; L1911-L2015 HydrophobicContact CG-CD2 4.44Å; L1911-W2025 HydrophobicContact CB-CZ2 4.09Å; L1911-W2025 HydrophobicContact CD1-CH2 4.32Å; L1911-W2025 HydrophobicContact CD1-CZ3 4.4Å; L1911-W2025 HydrophobicContact CD2-CD2 3.72Å; L1911-W2025 HydrophobicContact CD2-CE3 4.2Å; L1911-W2025 HydrophobicContact CD2-CG 3.97Å; L1911-W2025 HydrophobicContact CD2-CZ2 4.11Å; L1911-W2025 HydrophobicContact CG-CZ2 4.48Å |
| 1912 | R | 82.4 | Confident | 71.9 | Confident | 35 Ų | 35 | 27.9 Ų | 27.9 | 13% | 0.132 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.2 | 169.7 | -68.3 | 179.9 | -175.5 | 75 | 6.3 | 109.8 | H1881 P1882 V1903 T1904 D1906 W1914 P1989 | H1881-R1912 PolarHBondContact ND1-NH1 3.04Å; P1882-R1912 VanDerWaalsContact CG-NH2 3.32Å; V1903-R1912 CarbonylContact C-O 3.55Å; V1903-R1912 WeakPolarHBondContact CA-O 3.06Å; V1903-R1912 WeakPolarHBondContact CG1-O 3.47Å; T1904-R1912 PolarHBondContact N-O 2.89Å; T1904-R1912 PolarHBondContact O-N 3.08Å; T1904-R1912 WeakPolarHBondContact OG1-CB 3.47Å; T1904-R1912 PolarHBondContact OG1-O 2.78Å; D1906-R1912 IonicContact OD2-CZ 3.52Å; D1906-R1912 IonicContact OD2-NH1 3.48Å; D1906-R1912 PolarHBondContact OD2-NH1 2.81Å; D1906-R1912 IonicContact OD2-NH2 3.97Å; R1912-W1914 HydrophobicContact CB-CZ2 4.14Å; R1912-P1989 HydrophobicContact CB-CB 3.98Å; R1912-P1989 HydrophobicContact CB-CG 4.49Å; R1912-P1989 HydrophobicContact CG-CB 4.18Å; R1912-P1989 HydrophobicContact CG-CG 4.15Å |
| 1913 | V | 80.7 | Confident | 70.5 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.6 | -179.9 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | I1901 V1903 L1911 D1990 Y1991 F2027 I2073 | I1901-V1913 HydrophobicContact CG2-CG1 3.81Å; V1903-V1913 HydrophobicContact CG1-CG2 4.07Å; V1903-V1913 HydrophobicContact CG2-CG1 4.26Å; V1903-V1913 HydrophobicContact CG2-CG2 4.07Å; L1911-V1913 HydrophobicContact CD2-CG2 4.19Å; V1913-D1990 PolarHBondContact O-N 3.46Å; V1913-D1990 VanDerWaalsContact O-N 3.13Å; V1913-Y1991 HydrophobicContact CB-CD1 4.45Å; V1913-Y1991 HydrophobicContact CG2-CD1 3.96Å; V1913-Y1991 PolarHBondContact N-O 3.06Å; V1913-Y1991 PolarHBondContact O-N 3.26Å; V1913-F2027 HydrophobicContact CG1-CE1 4.23Å; V1913-F2027 HydrophobicContact CG1-CZ 4.42Å; V1913-F2027 HydrophobicContact CG2-CZ 4.1Å; V1913-I2073 HydrophobicContact CB-CD1 3.99Å; V1913-I2073 HydrophobicContact CG1-CD1 3.71Å; V1913-I2073 HydrophobicContact CG2-CD1 4.09Å |
| 1914 | W | 81.8 | Confident | 68.6 | Low | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 119.9 | -173.4 | -51.3 | 90.4 | 0 | 0 | 0 | 108.8 | F1876 T1878 H1881 I1901 M1902 T1904 R1912 P1989 | F1876-W1914 HydrophobicContact CE1-CD2 4.49Å; F1876-W1914 AromaticContact CE1-CE3 3.98Å; F1876-W1914 HydrophobicContact CE1-CE3 3.98Å; F1876-W1914 HydrophobicContact CE1-CZ3 4.34Å; F1876-W1914 HydrophobicContact CZ-CE3 4.03Å; F1876-W1914 HydrophobicContact CZ-CZ3 4.17Å; T1878-W1914 HydrophobicContact CG2-CD2 4.03Å; T1878-W1914 HydrophobicContact CG2-CE3 4.43Å; T1878-W1914 HydrophobicContact CG2-CH2 4.02Å; T1878-W1914 HydrophobicContact CG2-CZ2 3.59Å; T1878-W1914 HydrophobicContact CG2-CZ3 4.42Å; T1878-W1914 WeakPolarHBondContact O-CH2 3.32Å; H1881-W1914 AromaticContact NE2-CZ2 3.86Å; I1901-W1914 WeakPolarHBondContact CA-O 3.39Å; M1902-W1914 HydrophobicContact CB-CB 4.4Å; M1902-W1914 HydrophobicContact CE-CB 3.56Å; M1902-W1914 HydrophobicContact CE-CG 3.72Å; M1902-W1914 PolarHBondContact N-O 3.41Å; M1902-W1914 PolarHBondContact O-N 2.59Å; T1904-W1914 PolarHBondContact OG1-NE1 3.16Å; R1912-W1914 HydrophobicContact CB-CZ2 4.14Å; W1914-P1989 HydrophobicContact CD2-CB 4.29Å; W1914-P1989 HydrophobicContact CE3-CB 4.18Å; W1914-P1989 HydrophobicContact CH2-CB 3.97Å; W1914-P1989 HydrophobicContact CH2-CG 4.4Å; W1914-P1989 HydrophobicContact CZ2-CB 4.07Å; W1914-P1989 HydrophobicContact CZ3-CB 4.03Å |
| 1915 | R | 77.3 | Confident | 66.5 | Low | 65 Ų | 65 | 37 Ų | 37 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114.5 | 172.4 | -173.3 | -177.4 | -72.9 | -179.7 | 9.3 | 108.5 | E1899 K1987 D1990 F2071 | E1899-R1915 HydrophobicContact CB-CG 4.33Å; E1899-R1915 WeakPolarHBondContact OE2-CD 3.33Å; E1899-R1915 IonicContact OE2-CZ 3.45Å; E1899-R1915 IonicContact OE2-NE 3.6Å; E1899-R1915 IonicContact OE2-NH1 2.97Å; R1915-K1987 PolarHBondContact O-NZ 2.92Å; R1915-D1990 HydrophobicContact CB-CB 4.45Å; R1915-D1990 WeakPolarHBondContact CB-OD2 3.49Å; R1915-D1990 PolarHBondContact N-OD2 3.32Å; R1915-F2071 PolarHBondContact NH2-O 2.87Å |
| 1916 | L | 72.3 | Confident | 64.7 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.8 | -175.5 | -60.9 | 172.8 | 0 | 0 | 0 | 108.8 | V1866 F1876 L1900 M1902 L1921 | V1866-L1916 HydrophobicContact CG2-CD1 4.14Å; F1876-L1916 HydrophobicContact CD1-CD1 4.37Å; F1876-L1916 HydrophobicContact CD1-CD2 3.88Å; F1876-L1916 HydrophobicContact CD2-CD2 4.11Å; F1876-L1916 HydrophobicContact CE1-CD2 3.96Å; F1876-L1916 HydrophobicContact CE2-CD2 4.2Å; F1876-L1916 HydrophobicContact CG-CD2 3.95Å; F1876-L1916 HydrophobicContact CZ-CD2 4.12Å; L1900-L1916 HydrophobicContact CB-CB 4.42Å; L1900-L1916 PolarHBondContact N-O 3.38Å; L1900-L1916 PolarHBondContact O-N 3.26Å; M1902-L1916 HydrophobicContact CE-CD1 3.56Å; M1902-L1916 HydrophobicContact CE-CG 4.39Å; L1916-L1921 HydrophobicContact CB-CD1 4.11Å; L1916-L1921 HydrophobicContact CB-CG 4.34Å; L1916-L1921 HydrophobicContact CD1-CD2 4.26Å |
| 1917 | T | 69 | Low | 62.7 | Low | 41 Ų | 41 | 51.1 Ų | 51.1 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 146 | 170.2 | 58 | 0 | 0 | 0 | 0 | 109.4 | E1899 Q1919 M1920 L1921 | E1899-T1917 HydrophobicContact CG-CG2 4.14Å; T1917-Q1919 PolarHBondContact O-N 3.07Å; T1917-M1920 PolarHBondContact O-N 3.44Å; T1917-M1920 WeakPolarHBondContact OG1-CB 3.48Å; T1917-M1920 WeakPolarHBondContact OG1-CG 3.45Å; T1917-M1920 PolarHBondContact OG1-N 3.38Å; T1917-L1921 PolarHBondContact O-N 3.41Å |
| 1918 | T | 63.5 | Low | 60.6 | Low | 51 Ų | 51 | 55.6 Ų | 55.6 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.3 | -35.9 | 174.3 | 9.6 | 0 | 0 | 0 | 0 | 111.8 | W1854 D1898 L1921 C1922 | W1854-T1918 HydrophobicContact CZ2-CG2 4.45Å; D1898-T1918 WeakPolarHBondContact CB-OG1 3.31Å; D1898-T1918 PolarHBondContact O-N 3.29Å; D1898-T1918 VanDerWaalsContact O-N 3.1Å; D1898-T1918 PolarHBondContact O-OG1 3.31Å; T1918-L1921 PolarHBondContact O-N 2.9Å; T1918-C1922 WeakPolarHBondContact O-CB 3.38Å; T1918-C1922 PolarHBondContact O-N 2.93Å; T1918-C1922 PolarHBondContact O-SG 3.45Å |
| 1919 | Q | 58.1 | Low | 59 | Low | 152 Ų | 152 | 58.5 Ų | 58.5 | 71% | 0.71 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | 175.5 | -66.2 | -176.4 | 9.4 | 0 | 0 | 113.6 | T1917 C1922 S1923 | T1917-Q1919 PolarHBondContact O-N 3.07Å; Q1919-C1922 PolarHBondContact O-N 3.34Å; Q1919-S1923 VanDerWaalsContact O-CB 3.29Å; Q1919-S1923 WeakPolarHBondContact O-CB 3.46Å; Q1919-S1923 PolarHBondContact O-N 3.05Å; Q1919-S1923 PolarHBondContact O-OG 3.47Å |
| 1920 | M | 59.4 | Low | 57.1 | Low | 80 Ų | 80 | 68 Ų | 68 | 39% | 0.394 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.3 | -77.3 | 179.9 | 91.9 | 0 | 0 | 110.8 | T1917 C1922 S1923 Q1924 K1987 | T1917-M1920 PolarHBondContact O-N 3.44Å; T1917-M1920 WeakPolarHBondContact OG1-CB 3.48Å; T1917-M1920 WeakPolarHBondContact OG1-CG 3.45Å; T1917-M1920 PolarHBondContact OG1-N 3.38Å; M1920-C1922 VanDerWaalsContact C-N 3.35Å; M1920-C1922 PolarHBondContact O-N 2.95Å; M1920-S1923 PolarHBondContact O-OG 2.99Å; M1920-Q1924 PolarHBondContact O-N 3.49Å; M1920-K1987 HydrophobicContact CE-CD 3.88Å |
| 1921 | L | 57.8 | Low | 55.1 | Low | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 177.2 | -64.9 | 167.2 | 0 | 0 | 0 | 111.7 | W1854 V1866 A1875 F1876 L1900 L1916 T1917 T1918 I1925 | W1854-L1921 HydrophobicContact CD2-CD1 4.15Å; W1854-L1921 HydrophobicContact CE3-CD1 4.1Å; W1854-L1921 HydrophobicContact CH2-CB 3.53Å; W1854-L1921 HydrophobicContact CH2-CD1 3.78Å; W1854-L1921 HydrophobicContact CH2-CG 4.17Å; W1854-L1921 HydrophobicContact CZ2-CB 4.23Å; W1854-L1921 HydrophobicContact CZ2-CD1 3.81Å; W1854-L1921 HydrophobicContact CZ3-CB 3.87Å; W1854-L1921 HydrophobicContact CZ3-CD1 3.9Å; W1854-L1921 HydrophobicContact CZ3-CD2 4.22Å; W1854-L1921 HydrophobicContact CZ3-CG 4.22Å; V1866-L1921 HydrophobicContact CG1-CD2 4.48Å; A1875-L1921 HydrophobicContact CB-CB 4.49Å; A1875-L1921 HydrophobicContact CB-CD2 3.86Å; F1876-L1921 HydrophobicContact CB-CD2 3.93Å; L1900-L1921 HydrophobicContact CD2-CD1 4.45Å; L1916-L1921 HydrophobicContact CB-CD1 4.11Å; L1916-L1921 HydrophobicContact CB-CG 4.34Å; L1916-L1921 HydrophobicContact CD1-CD2 4.26Å; T1917-L1921 PolarHBondContact O-N 3.41Å; T1918-L1921 PolarHBondContact O-N 2.9Å; L1921-I1925 WeakPolarHBondContact O-CD1 3.36Å; L1921-I1925 WeakPolarHBondContact O-CG1 3.45Å |
| 1922 | C | 53.1 | Low | 52.8 | Low | 68 Ų | 68 | 79.4 Ų | 79.4 | 46% | 0.459 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -79.3 | -35.3 | 178.8 | -69.6 | 0 | 0 | 0 | 0 | 114.5 | T1918 Q1919 M1920 Q1924 I1925 A1926 | T1918-C1922 WeakPolarHBondContact O-CB 3.38Å; T1918-C1922 PolarHBondContact O-N 2.93Å; T1918-C1922 PolarHBondContact O-SG 3.45Å; Q1919-C1922 PolarHBondContact O-N 3.34Å; M1920-C1922 VanDerWaalsContact C-N 3.35Å; M1920-C1922 PolarHBondContact O-N 2.95Å; C1922-Q1924 VanDerWaalsContact C-N 3.31Å; C1922-Q1924 PolarHBondContact O-N 3.49Å; C1922-I1925 WeakPolarHBondContact O-CA 3.4Å; C1922-I1925 WeakPolarHBondContact O-CB 3.43Å; C1922-I1925 PolarHBondContact O-N 3.49Å; C1922-A1926 PolarHBondContact O-N 3.01Å; C1922-A1926 VanDerWaalsContact O-N 3.11Å |
| 1923 | S | 52.9 | Low | 50.1 | Low | 74 Ų | 74 | 82.7 Ų | 82.7 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.5 | -31.4 | -179.8 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | Q1919 M1920 I1925 A1926 | Q1919-S1923 VanDerWaalsContact O-CB 3.29Å; Q1919-S1923 WeakPolarHBondContact O-CB 3.46Å; Q1919-S1923 PolarHBondContact O-N 3.05Å; Q1919-S1923 PolarHBondContact O-OG 3.47Å; M1920-S1923 PolarHBondContact O-OG 2.99Å; S1923-I1925 VanDerWaalsContact C-N 3.28Å; S1923-I1925 PolarHBondContact O-N 3.24Å; S1923-A1926 PolarHBondContact O-N 3.16Å |
| 1924 | Q | 43.5 | Very low | 47.4 | Very low | 77 Ų | 77 | 90.4 Ų | 90.4 | 36% | 0.36 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -28.5 | 169.7 | -72.4 | -168.5 | -6.5 | 0 | 0 | 112.5 | A1875 M1920 C1922 | A1875-Q1924 PolarHBondContact O-OE1 2.6Å; M1920-Q1924 PolarHBondContact O-N 3.49Å; C1922-Q1924 VanDerWaalsContact C-N 3.31Å; C1922-Q1924 PolarHBondContact O-N 3.49Å |
| 1925 | I | 39.7 | Very low | 44.7 | Very low | 41 Ų | 41 | 98.4 Ų | 98.4 | 21% | 0.21 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -75.2 | -29 | 174.2 | -58.9 | 167.1 | 0 | 0 | 0 | 111.6 | I1873 L1921 C1922 S1923 Y1927 I1928 | I1873-I1925 HydrophobicContact CD1-CG2 4.44Å; L1921-I1925 WeakPolarHBondContact O-CD1 3.36Å; L1921-I1925 WeakPolarHBondContact O-CG1 3.45Å; C1922-I1925 WeakPolarHBondContact O-CA 3.4Å; C1922-I1925 WeakPolarHBondContact O-CB 3.43Å; C1922-I1925 PolarHBondContact O-N 3.49Å; S1923-I1925 VanDerWaalsContact C-N 3.28Å; S1923-I1925 PolarHBondContact O-N 3.24Å; I1925-Y1927 VanDerWaalsContact C-N 3.26Å; I1925-Y1927 PolarHBondContact O-N 3.17Å; I1925-I1928 VanDerWaalsContact O-CD1 3.32Å; I1925-I1928 WeakPolarHBondContact O-CD1 3.44Å; I1925-I1928 WeakPolarHBondContact O-CG1 3.42Å |
| 1926 | A | 42.4 | Very low | 42.1 | Very low | 86 Ų | 86 | 105.4 Ų | 105.4 | 71% | 0.711 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73 | -14.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | C1922 S1923 I1928 | C1922-A1926 PolarHBondContact O-N 3.01Å; C1922-A1926 VanDerWaalsContact O-N 3.11Å; S1923-A1926 PolarHBondContact O-N 3.16Å; A1926-I1928 PolarHBondContact O-N 3.06Å |
| 1927 | Y | 33 | Very low | 39.8 | Very low | 210 Ų | 210 | 113.1 Ų | 113.1 | 82% | 0.824 | 60% | 0.602 | S | S | * | * | trans | -82.3 | 51.8 | 176.6 | -146.7 | -91.4 | 0 | 0 | 0 | 111.5 | I1925 | I1925-Y1927 VanDerWaalsContact C-N 3.26Å; I1925-Y1927 PolarHBondContact O-N 3.17Å | ||
| 1928 | I | 30.9 | Very low | 37.7 | Very low | 117 Ų | 117 | 115.7 Ų | 115.7 | 60% | 0.6 | 62% | 0.621 | S | S | * | * | trans | -102.1 | 118.7 | 170.4 | -62.4 | 165.4 | 0 | 0 | 0 | 107.3 | I1925 A1926 K1930 | I1925-I1928 VanDerWaalsContact O-CD1 3.32Å; I1925-I1928 WeakPolarHBondContact O-CD1 3.44Å; I1925-I1928 WeakPolarHBondContact O-CG1 3.42Å; A1926-I1928 PolarHBondContact O-N 3.06Å; I1928-K1930 PolarHBondContact O-N 3.3Å | ||
| 1929 | P | 27.4 | Very low | 35.9 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | trans | -63 | 128.9 | -173.9 | 23.9 | -31.7 | 0 | 0 | 0 | 110.9 | T1931 | P1929-T1931 VanDerWaalsContact C-N 3.28Å; P1929-T1931 PolarHBondContact O-N 2.97Å | ||
| 1930 | K | 27 | Very low | 34.3 | Very low | 201 Ų | 201 | 123 Ų | 123 | 87% | 0.874 | 65% | 0.65 | S | S | * | * | trans | -61.9 | 84.2 | 173 | -74.7 | 179.8 | 175.6 | 176.2 | 0 | 110.5 | I1928 | I1928-K1930 PolarHBondContact O-N 3.3Š| ||
| 1931 | T | 27.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | trans | -132.4 | 68 | 163.5 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | P1929 | P1929-T1931 VanDerWaalsContact C-N 3.28Å; P1929-T1931 PolarHBondContact O-N 2.97Å | ||
| 1932 | V | 28.6 | Very low | 31.1 | Very low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -137.1 | 114.1 | 152 | -175.6 | 0 | 0 | 0 | 0 | 106.4 | N1934 | V1932-N1934 PolarHBondContact O-N 3.31Š|
| 1933 | S | 25.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -55.7 | 125.9 | 179.7 | 45.8 | 0 | 0 | 0 | 0 | 112 | E1935 | S1933-E1935 PolarHBondContact O-N 2.96Š| ||
| 1934 | N | 24.3 | Very low | 28.3 | Very low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 36.6 | 65.5 | 151.5 | -67.6 | -11.4 | 0 | 0 | 0 | 118.1 | V1932 | V1932-N1934 PolarHBondContact O-N 3.31Š|
| 1935 | E | 24.4 | Very low | 27.5 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -130.6 | 136.4 | 144.9 | -72.8 | -168.4 | 160 | 0 | 0 | 108.8 | S1933 I1937 | S1933-E1935 PolarHBondContact O-N 2.96Å; E1935-I1937 PolarHBondContact O-N 3.35Å |
| 1936 | K | 24 | Very low | 26.8 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -51.8 | 97.2 | -164.9 | -72.9 | 168.9 | 171.9 | 173.7 | 0 | 112.9 | ||||
| 1937 | I | 23.6 | Very low | 25.9 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -107.3 | 82.3 | 165.5 | -58.1 | 168.7 | 0 | 0 | 0 | 107.5 | E1935 | E1935-I1937 PolarHBondContact O-N 3.35Š| ||
| 1938 | S | 23.9 | Very low | 25.5 | Very low | 94 Ų | 94 | 151 Ų | 151 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | trans | -100.9 | 86 | 165.8 | 57.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1939 | Y | 25.5 | Very low | 25.1 | Very low | 191 Ų | 191 | 154 Ų | 154 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -143.9 | 71.6 | 154.3 | -76.5 | -70.8 | 0 | 0 | 0 | 108.9 | ||||
| 1940 | L | 24.9 | Very low | 24.9 | Very low | 166 Ų | 166 | 160.8 Ų | 160.8 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -122.9 | 123.8 | 158.2 | -89 | 164.6 | 0 | 0 | 0 | 105.8 | ||||
| 1941 | G | 24.2 | Very low | 24.7 | Very low | 62 Ų | 62 | 157.5 Ų | 157.5 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 125.4 | 109.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | P1943 | G1941-P1943 WeakPolarHBondContact O-CD 3.38Š|
| 1942 | R | 26 | Very low | 24.5 | Very low | 251 Ų | 251 | 155 Ų | 155 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -31.8 | 97.5 | 173.7 | -74.2 | 178.1 | 170.9 | -156.1 | -2.8 | 111.1 | L1944 | R1942-L1944 PolarHBondContact O-N 3.2Š| ||
| 1943 | P | 24.2 | Very low | 24.2 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | trans | -88.3 | 107.6 | -174.8 | 25 | -14.4 | 0 | 0 | 0 | 107.6 | G1941 I1945 | G1941-P1943 WeakPolarHBondContact O-CD 3.38Å; P1943-I1945 PolarHBondContact O-N 3.07Å | ||
| 1944 | L | 24 | Very low | 24.1 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -47.9 | 129.5 | 159.3 | -77.6 | 153.7 | 0 | 0 | 0 | 108.7 | R1942 H1946 | R1942-L1944 PolarHBondContact O-N 3.2Å; L1944-H1946 PolarHBondContact O-N 3.48Å | ||
| 1945 | I | 25.8 | Very low | 24.2 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -71.4 | 88.3 | -173.5 | -60.9 | 161.6 | 0 | 0 | 0 | 108.8 | P1943 | P1943-I1945 PolarHBondContact O-N 3.07Š|
| 1946 | H | 24.3 | Very low | 24.3 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | -162.6 | 127.5 | 153 | -129.2 | -85.1 | 0 | 0 | 0 | 108 | L1944 | L1944-H1946 PolarHBondContact O-N 3.48Š| ||
| 1947 | D | 24.6 | Very low | 24.3 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 121.8 | 14.5 | 164.7 | -58.9 | -11.5 | 0 | 0 | 0 | 118.8 | H1949 | D1947-H1949 PolarHBondContact O-N 3.42Å; D1947-H1949 VanDerWaalsContact O-N 3.14Å | ||
| 1948 | L | 24.3 | Very low | 24.3 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -82.9 | 29.3 | 168.4 | -116.1 | 136.5 | 0 | 0 | 0 | 114.7 | ||||
| 1949 | H | 23.1 | Very low | 24.2 | Very low | 182 Ų | 182 | 157.1 Ų | 157.1 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -101.3 | 77 | 167.3 | -87.8 | -77.3 | 0 | 0 | 0 | 110.5 | D1947 | D1947-H1949 PolarHBondContact O-N 3.42Å; D1947-H1949 VanDerWaalsContact O-N 3.14Å | ||
| 1950 | R | 22.1 | Very low | 24 | Very low | 243 Ų | 243 | 153.5 Ų | 153.5 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 178.4 | 121.6 | 150.7 | -107.5 | 172 | -161.4 | -169 | 6.1 | 112.3 | ||||
| 1951 | C | 23.4 | Very low | 23.9 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | 134 | 97.8 | 152.9 | -89.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1952 | G | 22.9 | Very low | 23.8 | Very low | 68 Ų | 68 | 158.2 Ų | 158.2 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | 92 | 85.8 | 51.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | D1954 | G1952-D1954 PolarHBondContact O-N 2.92Š| |||
| 1953 | V | 23.2 | Very low | 23.6 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | trans | -73.2 | 102.7 | -175.9 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | H1955 | V1953-H1955 WeakPolarHBondContact CG1-NE2 3.32Š| ||
| 1954 | D | 23.7 | Very low | 23.6 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 96.8 | 166 | -82.3 | -21.9 | 0 | 0 | 0 | 109.6 | G1952 N1956 | G1952-D1954 PolarHBondContact O-N 2.92Å; D1954-N1956 PolarHBondContact O-N 3.43Å | ||
| 1955 | H | 26.3 | Very low | 23.5 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -63.8 | 115.8 | 163.3 | -67.8 | -73.1 | 0 | 0 | 0 | 109.1 | V1953 | V1953-H1955 WeakPolarHBondContact CG1-NE2 3.32Š| ||
| 1956 | N | 26.1 | Very low | 23.5 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | 154.8 | 29.4 | 142.2 | -78.6 | -21.4 | 0 | 0 | 0 | 117.3 | D1954 | D1954-N1956 PolarHBondContact O-N 3.43Š| ||
| 1957 | Q | 24.5 | Very low | 23.4 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -127.3 | 106.8 | 162.4 | -72.7 | -172.3 | -5.6 | 0 | 0 | 111.2 | S1959 | Q1957-S1959 PolarHBondContact O-N 3Š| ||
| 1958 | K | 22.8 | Very low | 23.3 | Very low | 204 Ų | 204 | 144.5 Ų | 144.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 95.2 | 170.7 | -77.6 | 178.4 | 173 | 179.9 | 0 | 108.7 | T1960 | K1958-T1960 VanDerWaalsContact C-N 3.28Å; K1958-T1960 PolarHBondContact O-N 3.34Å | ||
| 1959 | S | 22.3 | Very low | 23.4 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -73.1 | 85.9 | 166.4 | 43.8 | 0 | 0 | 0 | 0 | 109 | Q1957 V1961 | Q1957-S1959 PolarHBondContact O-N 3Å; S1959-V1961 PolarHBondContact O-N 2.86Å; S1959-V1961 VanDerWaalsContact O-N 3.13Å | ||
| 1960 | T | 22.1 | Very low | 23.3 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -64 | 103.5 | 164.6 | 44.8 | 0 | 0 | 0 | 0 | 108.4 | K1958 Y1962 | K1958-T1960 VanDerWaalsContact C-N 3.28Å; K1958-T1960 PolarHBondContact O-N 3.34Å; T1960-Y1962 VanDerWaalsContact C-N 3.35Å; T1960-Y1962 PolarHBondContact O-N 3.48Å | ||
| 1961 | V | 22.4 | Very low | 23.4 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -70 | 95.2 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | S1959 I1963 | S1959-V1961 PolarHBondContact O-N 2.86Å; S1959-V1961 VanDerWaalsContact O-N 3.13Å; V1961-I1963 PolarHBondContact O-N 3.04Å; V1961-I1963 VanDerWaalsContact O-N 3.17Å | ||
| 1962 | Y | 21.6 | Very low | 23.4 | Very low | 200 Ų | 200 | 146 Ų | 146 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -71.8 | 103 | 171.1 | -125.8 | -91.5 | 0 | 0 | 0 | 107.5 | T1960 P1964 | T1960-Y1962 VanDerWaalsContact C-N 3.35Å; T1960-Y1962 PolarHBondContact O-N 3.48Å; Y1962-P1964 VanDerWaalsContact O-CD 3.26Å; Y1962-P1964 WeakPolarHBondContact O-CD 3.36Å | ||
| 1963 | I | 22.8 | Very low | 23.3 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -71.8 | 107.6 | 164.5 | -57.9 | 169.4 | 0 | 0 | 0 | 104.8 | V1961 S1965 | V1961-I1963 PolarHBondContact O-N 3.04Å; V1961-I1963 VanDerWaalsContact O-N 3.17Å; I1963-S1965 PolarHBondContact O-N 3.3Å | ||
| 1964 | P | 22.5 | Very low | 23.4 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | trans | -70.7 | 123.5 | -177.2 | 4.8 | 9.6 | 0 | 0 | 0 | 108.1 | Y1962 S1966 | Y1962-P1964 VanDerWaalsContact O-CD 3.26Å; Y1962-P1964 WeakPolarHBondContact O-CD 3.36Å; P1964-S1966 PolarHBondContact O-N 2.73Å | ||
| 1965 | S | 23.7 | Very low | 23.3 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -53.4 | 124.8 | 167.4 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | I1963 D1967 | I1963-S1965 PolarHBondContact O-N 3.3Å; S1965-D1967 PolarHBondContact O-N 3.18Å | ||
| 1966 | S | 24.8 | Very low | 23.2 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -72.6 | 73.9 | -176.5 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | P1964 | P1964-S1966 PolarHBondContact O-N 2.73Š| ||
| 1967 | D | 22.2 | Very low | 23 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -87.9 | 117 | 162.6 | -81.2 | -28.5 | 0 | 0 | 0 | 109.2 | S1965 | S1965-D1967 PolarHBondContact O-N 3.18Š| ||
| 1968 | S | 22.9 | Very low | 22.9 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 44.1 | 76 | 161.4 | 61.8 | 0 | 0 | 0 | 0 | 117.2 | Q1970 | S1968-Q1970 PolarHBondContact O-N 3.2Š| ||
| 1969 | V | 25.8 | Very low | 23 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 100.7 | 166.4 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | R1971 | V1969-R1971 PolarHBondContact O-N 3.39Š| ||
| 1970 | Q | 22.2 | Very low | 23.1 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -55.7 | 129.2 | 170.9 | -81.4 | 178.8 | -21.2 | 0 | 0 | 111 | S1968 F1972 | S1968-Q1970 PolarHBondContact O-N 3.2Å; Q1970-F1972 PolarHBondContact O-N 3.28Å | ||
| 1971 | R | 22.6 | Very low | 23.1 | Very low | 245 Ų | 245 | 137.4 Ų | 137.4 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -56.9 | 113.6 | 176.4 | -73.1 | 171.3 | 172.2 | 156.4 | -2.8 | 111.3 | V1969 | V1969-R1971 PolarHBondContact O-N 3.39Š| ||
| 1972 | F | 24.3 | Very low | 23.5 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -77.4 | 122.9 | 163.3 | -73.8 | -81.4 | 0 | 0 | 0 | 109.8 | Q1970 | Q1970-F1972 PolarHBondContact O-N 3.28Š| ||
| 1973 | S | 21.4 | Very low | 23.8 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -99.4 | 132.6 | -178.5 | 33.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1974 | S | 24.2 | Very low | 24.1 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 45.7 | 100.8 | 151.1 | 64.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1975 | G | 22.5 | Very low | 25 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -133 | 106 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1976 | S | 22.8 | Very low | 26.1 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -43 | 137.9 | -178.7 | 173.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1977 | G | 23.4 | Very low | 27.3 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | 104.9 | 47.3 | 132.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1978 | Y | 22.3 | Very low | 28.8 | Very low | 225 Ų | 225 | 142.4 Ų | 142.4 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -126.5 | 117.5 | 150.4 | -85.1 | -86 | 0 | 0 | 0 | 108.9 | N1980 | Y1978-N1980 PolarHBondContact O-N 3.05Å; Y1978-N1980 VanDerWaalsContact O-N 3.14Å | ||
| 1979 | V | 24.1 | Very low | 30.7 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | -61.1 | 110.3 | 173 | 173.5 | 0 | 0 | 0 | 0 | 106.7 | D1981 | V1979-D1981 VanDerWaalsContact C-N 3.35Å; V1979-D1981 PolarHBondContact O-N 3.08Å | ||
| 1980 | N | 24 | Very low | 32.7 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -62.8 | 97.8 | 169.4 | -84 | -13.5 | 0 | 0 | 0 | 108 | Y1978 N1982 | Y1978-N1980 PolarHBondContact O-N 3.05Å; Y1978-N1980 VanDerWaalsContact O-N 3.14Å; N1980-N1982 PolarHBondContact O-N 3.03Å | ||
| 1981 | D | 23.1 | Very low | 34.7 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | trans | -67.3 | 67.1 | 162.8 | -83.1 | -30.2 | 0 | 0 | 0 | 109.7 | V1979 R1983 | V1979-D1981 VanDerWaalsContact C-N 3.35Å; V1979-D1981 PolarHBondContact O-N 3.08Å; D1981-R1983 PolarHBondContact O-N 3.41Å | ||
| 1982 | N | 29.7 | Very low | 36.7 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -73.6 | 16.9 | 169.7 | -81.9 | 0.2 | 0 | 0 | 0 | 112.3 | N1980 L1984 | N1980-N1982 PolarHBondContact O-N 3.03Å; N1982-L1984 VanDerWaalsContact C-N 3.3Å |
| 1983 | R | 27.9 | Very low | 38.2 | Very low | 241 Ų | 241 | 117.7 Ų | 117.7 | 91% | 0.909 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -84.1 | 3 | 175.1 | -83.7 | -173.7 | 174.8 | 172.1 | -0.9 | 114.1 | D1981 | D1981-R1983 PolarHBondContact O-N 3.41Š|
| 1984 | L | 29.5 | Very low | 39.8 | Very low | 145 Ų | 145 | 117 Ų | 117 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -94.8 | 1.6 | -174.4 | -89.3 | 155.6 | 0 | 0 | 0 | 116.7 | N1982 | N1982-L1984 VanDerWaalsContact C-N 3.3Š|
| 1985 | F | 42.4 | Very low | 41 | Very low | 119 Ų | 119 | 111.6 Ų | 111.6 | 52% | 0.522 | 58% | 0.578 | S | S | . | * | trans | -106.9 | 3.6 | -164 | -65.6 | -68.8 | 0 | 0 | 0 | 119.1 | K1987 | F1985-K1987 PolarHBondContact O-N 3.26Š| ||
| 1986 | N | 45.8 | Very low | 41.8 | Very low | 143 Ų | 143 | 110 Ų | 110 | 77% | 0.765 | 56% | 0.557 | S | S | * | * | trans | -101.8 | 78.6 | 179.4 | -73.5 | -15.5 | 0 | 0 | 0 | 112.2 | R1988 | N1986-R1988 PolarHBondContact O-N 3.35Š| ||
| 1987 | K | 51 | Low | 42.3 | Very low | 55 Ų | 55 | 105 Ų | 105 | 24% | 0.239 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 124.6 | 166.6 | -165.4 | -164.9 | 176.8 | -167.5 | 0 | 107.8 | F1876 R1915 M1920 F1985 D1990 | F1876-K1987 HydrophobicContact CE2-CB 4.08Å; F1876-K1987 HydrophobicContact CE2-CD 4.42Å; F1876-K1987 HydrophobicContact CZ-CB 4.16Å; F1876-K1987 HydrophobicContact CZ-CD 4.42Å; R1915-K1987 PolarHBondContact O-NZ 2.92Å; M1920-K1987 HydrophobicContact CE-CD 3.88Å; F1985-K1987 PolarHBondContact O-N 3.26Å; K1987-D1990 VanDerWaalsContact CE-OD1 3.3Å; K1987-D1990 WeakPolarHBondContact CE-OD1 3.46Å; K1987-D1990 IonicContact NZ-OD1 2.82Å; K1987-D1990 PolarHBondContact NZ-OD1 3.35Å; K1987-D1990 IonicContact NZ-OD2 3.34Å; K1987-D1990 PolarHBondContact NZ-OD2 3.28Å |
| 1988 | R | 54.1 | Low | 42.7 | Very low | 217 Ų | 217 | 110.1 Ų | 110.1 | 82% | 0.819 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 148.4 | 170.6 | -70.7 | -176.9 | 179.6 | 174.2 | 1.2 | 109.3 | N1986 D1990 | N1986-R1988 PolarHBondContact O-N 3.35Å; R1988-D1990 PolarHBondContact O-N 3.42Å |
| 1989 | P | 61.5 | Low | 43.3 | Very low | 32 Ų | 32 | 101 Ų | 101 | 21% | 0.208 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 138.2 | 174.4 | 26.7 | -35.8 | 0 | 0 | 0 | 109.7 | R1912 W1914 Y1991 | R1912-P1989 HydrophobicContact CB-CB 3.98Å; R1912-P1989 HydrophobicContact CB-CG 4.49Å; R1912-P1989 HydrophobicContact CG-CB 4.18Å; R1912-P1989 HydrophobicContact CG-CG 4.15Å; W1914-P1989 HydrophobicContact CD2-CB 4.29Å; W1914-P1989 HydrophobicContact CE3-CB 4.18Å; W1914-P1989 HydrophobicContact CH2-CB 3.97Å; W1914-P1989 HydrophobicContact CH2-CG 4.4Å; W1914-P1989 HydrophobicContact CZ2-CB 4.07Å; W1914-P1989 HydrophobicContact CZ3-CB 4.03Å; P1989-Y1991 PolarHBondContact O-N 3.01Å |
| 1990 | D | 67.3 | Low | 44 | Very low | 83 Ų | 83 | 99.7 Ų | 99.7 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -66.3 | -27.6 | -178.6 | -56.7 | -77.9 | 0 | 0 | 0 | 110.8 | V1913 R1915 K1987 R1988 | V1913-D1990 PolarHBondContact O-N 3.46Å; V1913-D1990 VanDerWaalsContact O-N 3.13Å; R1915-D1990 HydrophobicContact CB-CB 4.45Å; R1915-D1990 WeakPolarHBondContact CB-OD2 3.49Å; R1915-D1990 PolarHBondContact N-OD2 3.32Å; K1987-D1990 VanDerWaalsContact CE-OD1 3.3Å; K1987-D1990 WeakPolarHBondContact CE-OD1 3.46Å; K1987-D1990 IonicContact NZ-OD1 2.82Å; K1987-D1990 PolarHBondContact NZ-OD1 3.35Å; K1987-D1990 IonicContact NZ-OD2 3.34Å; K1987-D1990 PolarHBondContact NZ-OD2 3.28Å; R1988-D1990 PolarHBondContact O-N 3.42Å |
| 1991 | Y | 64.5 | Low | 45.1 | Very low | 51 Ų | 51 | 93.9 Ų | 93.9 | 20% | 0.2 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 144.8 | 171.5 | 178.8 | -98.3 | 0 | 0 | 0 | 111.3 | V1913 P1989 I2073 Q2074 | V1913-Y1991 HydrophobicContact CB-CD1 4.45Å; V1913-Y1991 HydrophobicContact CG2-CD1 3.96Å; V1913-Y1991 PolarHBondContact N-O 3.06Å; V1913-Y1991 PolarHBondContact O-N 3.26Å; P1989-Y1991 PolarHBondContact O-N 3.01Å; Y1991-I2073 HydrophobicContact CD1-CB 3.94Å; Y1991-I2073 HydrophobicContact CD1-CD1 3.84Å; Y1991-I2073 HydrophobicContact CD1-CG2 3.67Å; Y1991-I2073 HydrophobicContact CD2-CB 4.21Å; Y1991-I2073 HydrophobicContact CE1-CB 3.9Å; Y1991-I2073 HydrophobicContact CE1-CG2 3.34Å; Y1991-I2073 HydrophobicContact CE2-CB 4.18Å; Y1991-I2073 HydrophobicContact CE2-CG2 4.43Å; Y1991-I2073 HydrophobicContact CG-CB 4.09Å; Y1991-I2073 HydrophobicContact CG-CD1 3.82Å; Y1991-I2073 HydrophobicContact CG-CG2 4.33Å; Y1991-I2073 PolarHBondContact OH-O 3.28Å; Y1991-Q2074 PolarHBondContact OH-O 3.33Å |
| 1992 | Y | 66.1 | Low | 46.5 | Very low | 164 Ų | 164 | 93.2 Ų | 93.2 | 64% | 0.643 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.3 | 171.5 | 67.2 | -86.9 | 0 | 0 | 0 | 110.1 | L1911 | L1911-Y1992 CarbonylContact O-C 3.27Å; L1911-Y1992 VanDerWaalsContact O-CA 3.26Å; L1911-Y1992 WeakPolarHBondContact O-CA 3.45Å |
| 1993 | S | 55.4 | Low | 47.9 | Very low | 11 Ų | 11 | 87.7 Ų | 87.7 | 8% | 0.077 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 133.5 | -179.9 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | L1911 W2025 C2076 | L1911-S1993 WeakPolarHBondContact CA-O 3.31Å; L1911-S1993 VanDerWaalsContact CB-O 3.28Å; L1911-S1993 WeakPolarHBondContact CB-O 3.41Å; L1911-S1993 PolarHBondContact N-O 3.16Å; L1911-S1993 PolarHBondContact O-N 3.17Å; S1993-W2025 PolarHBondContact OG-NE1 3.04Å; S1993-W2025 VanDerWaalsContact OG-NE1 3.09Å; S1993-C2076 WeakPolarHBondContact OG-CB 3.14Å; S1993-C2076 PolarHBondContact OG-N 3.39Å |
| 1994 | T | 54.4 | Low | 49.3 | Very low | 91 Ų | 91 | 80.7 Ų | 80.7 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.1 | 174.5 | 51 | 0 | 0 | 0 | 0 | 109.4 | T1910 A1996 | T1910-T1994 HydrophobicContact CG2-CG2 4.33Å; T1994-A1996 PolarHBondContact O-N 3.37Å; T1994-A1996 VanDerWaalsContact O-N 3.16Å |
| 1995 | A | 49.3 | Very low | 50.9 | Low | 5 Ų | 5 | 79.4 Ų | 79.4 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | trans | -56.7 | 116.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | G1909 G1997 T2001 L2003 W2025 | G1909-A1995 WeakPolarHBondContact O-CB 3.33Å; G1909-A1995 PolarHBondContact O-N 3.34Å; A1995-G1997 PolarHBondContact O-N 3.33Å; A1995-G1997 VanDerWaalsContact O-N 3.07Å; A1995-T2001 PolarHBondContact O-OG1 3.16Å; A1995-L2003 HydrophobicContact CB-CD1 4.14Å; A1995-L2003 HydrophobicContact CB-CD2 4.19Å; A1995-L2003 HydrophobicContact CB-CG 4.09Å; A1995-W2025 HydrophobicContact CB-CH2 4.49Å; A1995-W2025 HydrophobicContact CB-CZ2 4.48Å | ||
| 1996 | A | 38.6 | Very low | 52.4 | Low | 48 Ų | 48 | 74.3 Ų | 74.3 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | trans | -75.9 | 104.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1994 V2078 | T1994-A1996 PolarHBondContact O-N 3.37Å; T1994-A1996 VanDerWaalsContact O-N 3.16Å; A1996-V2078 HydrophobicContact CB-CB 4.01Å; A1996-V2078 HydrophobicContact CB-CG2 3.17Å; A1996-V2078 WeakPolarHBondContact O-CG1 3.28Å; A1996-V2078 WeakPolarHBondContact O-CG2 3.27Å | ||
| 1997 | G | 34.7 | Very low | 53.3 | Low | 24 Ų | 24 | 70.1 Ų | 70.1 | 25% | 0.247 | 35% | 0.35 | C | S | . | . | trans | -165.1 | 133.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1995 G1999 | A1995-G1997 PolarHBondContact O-N 3.33Å; A1995-G1997 VanDerWaalsContact O-N 3.07Å; G1997-G1999 PolarHBondContact O-N 2.99Å | ||
| 1998 | Y | 30.2 | Very low | 54 | Low | 168 Ų | 168 | 68.5 Ų | 68.5 | 66% | 0.659 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -66.1 | 117.8 | 178.5 | -85.6 | -102.4 | 0 | 0 | 0 | 109.9 | ||
| 1999 | G | 36.7 | Very low | 53.9 | Low | 32 Ų | 32 | 58.4 Ų | 58.4 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 84.5 | 104.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1997 T2001 | G1997-G1999 PolarHBondContact O-N 2.99Å; G1999-T2001 PolarHBondContact O-N 3.36Å |
| 2000 | S | 38.5 | Very low | 53.3 | Low | 100 Ų | 100 | 60.4 Ų | 60.4 | 70% | 0.699 | 32% | 0.318 | S | S | * | . | trans | 41.5 | 61.1 | 166.6 | 70.2 | 0 | 0 | 0 | 0 | 118.2 | W2002 | S2000-W2002 PolarHBondContact O-N 3.01Š| ||
| 2001 | T | 45.7 | Very low | 52.6 | Low | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | trans | -82.9 | 106.3 | 178.5 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | G1909 A1995 G1999 D2020 | G1909-T2001 WeakPolarHBondContact CA-O 3.18Å; G1909-T2001 PolarHBondContact N-O 3.33Å; G1909-T2001 VanDerWaalsContact N-O 3.08Å; A1995-T2001 PolarHBondContact O-OG1 3.16Å; G1999-T2001 PolarHBondContact O-N 3.36Å; T2001-D2020 HydrophobicContact CG2-CB 4.19Å | ||
| 2002 | W | 53 | Low | 52.4 | Low | 104 Ų | 104 | 57.6 Ų | 57.6 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | trans | -80.8 | 126.9 | 177.7 | -60 | -8.3 | 0 | 0 | 0 | 111.1 | D1907 S2000 H2004 S2019 | D1907-W2002 HydrophobicContact CB-CG 4.45Å; S2000-W2002 PolarHBondContact O-N 3.01Å; W2002-H2004 AromaticContact CE3-CE1 3.49Å; W2002-H2004 VanDerWaalsContact CE3-CE1 3.49Å; W2002-H2004 AromaticContact CE3-NE2 3.63Å; W2002-H2004 PolarHBondContact O-N 3.1Å; W2002-S2019 WeakPolarHBondContact O-CA 3.41Å; W2002-S2019 WeakPolarHBondContact O-CB 3.31Å | ||
| 2003 | L | 58.9 | Low | 52 | Low | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -80.6 | 84.5 | 172.2 | -85.8 | 165 | 0 | 0 | 0 | 110.8 | R1886 D1906 L1911 A1995 L2006 W2025 | R1886-L2003 WeakPolarHBondContact CB-O 3.3Å; D1906-L2003 PolarHBondContact O-N 3.24Å; L1911-L2003 HydrophobicContact CB-CD1 4.2Å; L1911-L2003 HydrophobicContact CD1-CD1 4.29Å; A1995-L2003 HydrophobicContact CB-CD1 4.14Å; A1995-L2003 HydrophobicContact CB-CD2 4.19Å; A1995-L2003 HydrophobicContact CB-CG 4.09Å; L2003-L2006 HydrophobicContact CD2-CD2 4.19Å; L2003-W2025 HydrophobicContact CD1-CH2 4.41Å; L2003-W2025 HydrophobicContact CD2-CH2 3.87Å; L2003-W2025 HydrophobicContact CD2-CZ3 4.48Å | ||
| 2004 | H | 58.9 | Low | 52 | Low | 93 Ų | 93 | 59 Ų | 59 | 43% | 0.431 | 31% | 0.314 | S | S | . | . | trans | -66.2 | -41.2 | -173.5 | -80.5 | -68.1 | 0 | 0 | 0 | 114.3 | W2002 L2018 | W2002-H2004 AromaticContact CE3-CE1 3.49Å; W2002-H2004 VanDerWaalsContact CE3-CE1 3.49Å; W2002-H2004 AromaticContact CE3-NE2 3.63Å; W2002-H2004 PolarHBondContact O-N 3.1Å; H2004-L2018 PolarHBondContact N-O 3.4Å | ||
| 2005 | K | 62 | Low | 52.6 | Low | 119 Ų | 119 | 54.6 Ų | 54.6 | 52% | 0.517 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 133.6 | -175.9 | -166.9 | 171 | -174.9 | 179.4 | 0 | 110.1 | G2017 L2018 | K2005-G2017 CarbonylContact O-C 3.56Å; K2005-G2017 WeakPolarHBondContact O-CA 3.37Å; K2005-L2018 PolarHBondContact O-N 3.17Å |
| 2006 | L | 73.1 | Confident | 53 | Low | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.4 | 173.5 | -67.6 | 167.1 | 0 | 0 | 0 | 108.9 | S1887 V1903 L1911 L2003 L2015 A2016 W2025 | S1887-L2006 WeakPolarHBondContact OG-CB 3.46Å; S1887-L2006 PolarHBondContact OG-N 3.36Å; V1903-L2006 HydrophobicContact CG1-CD1 4.2Å; L1911-L2006 HydrophobicContact CD1-CD1 3.63Å; L1911-L2006 HydrophobicContact CD1-CD2 3.46Å; L1911-L2006 VanDerWaalsContact CD1-CD2 3.46Å; L1911-L2006 HydrophobicContact CD1-CG 4.21Å; L2003-L2006 HydrophobicContact CD2-CD2 4.19Å; L2006-L2015 HydrophobicContact CB-CD1 4.26Å; L2006-L2015 HydrophobicContact CD2-CD2 4.38Å; L2006-L2015 HydrophobicContact CD2-CG 4.41Å; L2006-A2016 CarbonylContact C-O 3.5Å; L2006-A2016 WeakPolarHBondContact CA-O 3.38Å; L2006-W2025 HydrophobicContact CD2-CZ3 4.17Å |
| 2007 | T | 66.5 | Low | 53.8 | Low | 55 Ų | 55 | 52.4 Ų | 52.4 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.9 | 173.5 | -163.6 | 0 | 0 | 0 | 0 | 110.3 | F1451 A2016 | F1451-T2007 HydrophobicContact CD2-CG2 4.4Å; F1451-T2007 HydrophobicContact CE2-CG2 4.41Å; T2007-A2016 HydrophobicContact CG2-CB 4.15Å; T2007-A2016 PolarHBondContact N-O 3.05Å; T2007-A2016 PolarHBondContact O-N 3.11Å |
| 2008 | W | 65 | Low | 54.7 | Low | 22 Ų | 22 | 54.6 Ų | 54.6 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 149.9 | 171.7 | -74.1 | 98.4 | 0 | 0 | 0 | 110.6 | Q1891 P1892 V1903 G2012 L2014 L2015 F2027 | Q1891-W2008 HydrophobicContact CB-CH2 4.43Å; Q1891-W2008 HydrophobicContact CB-CZ2 4.02Å; Q1891-W2008 HydrophobicContact CG-CD2 4.29Å; Q1891-W2008 HydrophobicContact CG-CE3 4.24Å; Q1891-W2008 HydrophobicContact CG-CH2 4.07Å; Q1891-W2008 HydrophobicContact CG-CZ2 4.14Å; Q1891-W2008 HydrophobicContact CG-CZ3 4.14Å; P1892-W2008 HydrophobicContact CG-CB 4.06Å; V1903-W2008 HydrophobicContact CG2-CZ2 3.59Å; W2008-G2012 WeakPolarHBondContact CZ3-O 3.49Å; W2008-L2014 CarbonylContact C-O 3.6Å; W2008-L2014 WeakPolarHBondContact CA-O 3.47Å; W2008-L2015 HydrophobicContact CD2-CB 4.21Å; W2008-L2015 HydrophobicContact CD2-CD1 3.82Å; W2008-L2015 HydrophobicContact CE3-CB 3.99Å; W2008-L2015 HydrophobicContact CE3-CD1 4.45Å; W2008-L2015 HydrophobicContact CG-CD1 3.93Å; W2008-L2015 HydrophobicContact CH2-CB 4.36Å; W2008-L2015 HydrophobicContact CZ2-CD1 4.4Å; W2008-L2015 HydrophobicContact CZ3-CB 4.06Å; W2008-F2027 AromaticContact CH2-CD1 3.81Å; W2008-F2027 HydrophobicContact CH2-CD1 3.81Å; W2008-F2027 AromaticContact CH2-CD2 3.5Å; W2008-F2027 HydrophobicContact CH2-CD2 3.5Å; W2008-F2027 VanDerWaalsContact CH2-CD2 3.5Å; W2008-F2027 AromaticContact CH2-CE1 3.71Å; W2008-F2027 HydrophobicContact CH2-CE1 3.71Å; W2008-F2027 AromaticContact CH2-CE2 3.4Å; W2008-F2027 HydrophobicContact CH2-CE2 3.4Å; W2008-F2027 VanDerWaalsContact CH2-CE2 3.4Å; W2008-F2027 AromaticContact CH2-CG 3.72Å; W2008-F2027 HydrophobicContact CH2-CG 3.72Å; W2008-F2027 AromaticContact CH2-CZ 3.52Å; W2008-F2027 HydrophobicContact CH2-CZ 3.52Å; W2008-F2027 HydrophobicContact CZ2-CE2 4.28Å; W2008-F2027 HydrophobicContact CZ2-CZ 4.19Å; W2008-F2027 HydrophobicContact CZ3-CB 4.31Å; W2008-F2027 HydrophobicContact CZ3-CD1 4.35Å; W2008-F2027 AromaticContact CZ3-CD2 3.49Å; W2008-F2027 HydrophobicContact CZ3-CD2 3.49Å; W2008-F2027 VanDerWaalsContact CZ3-CD2 3.49Å; W2008-F2027 AromaticContact CZ3-CE2 3.81Å; W2008-F2027 HydrophobicContact CZ3-CE2 3.81Å; W2008-F2027 AromaticContact CZ3-CG 3.81Å; W2008-F2027 HydrophobicContact CZ3-CG 3.81Å; W2008-F2027 HydrophobicContact CZ3-CZ 4.36Å |
| 2009 | S | 52.1 | Low | 56 | Low | 5 Ų | 5 | 47.1 Ų | 47.1 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | trans | -66.4 | 154.7 | 160.6 | 56.2 | 0 | 0 | 0 | 0 | 110.1 | P1892 D2011 G2012 R2013 L2014 | P1892-S2009 WeakPolarHBondContact CG-O 3.24Å; S2009-D2011 WeakPolarHBondContact CB-OD1 3.31Å; S2009-D2011 PolarHBondContact O-N 3.07Å; S2009-D2011 PolarHBondContact OG-OD1 3.39Å; S2009-G2012 PolarHBondContact O-N 3.16Å; S2009-R2013 PolarHBondContact OG-N 3.32Å; S2009-L2014 PolarHBondContact N-O 3.33Å; S2009-L2014 WeakPolarHBondContact OG-CB 3.45Å; S2009-L2014 PolarHBondContact OG-N 2.88Å; S2009-L2014 PolarHBondContact OG-O 3.23Å; S2009-L2014 VanDerWaalsContact OG-O 3.08Å | ||
| 2010 | P | 48.4 | Very low | 56.4 | Low | 74 Ų | 74 | 50.4 Ų | 50.4 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32 | -177.6 | -26.3 | 35.1 | 0 | 0 | 0 | 114.5 | G2012 | P2010-G2012 VanDerWaalsContact C-N 3.3Š|
| 2011 | D | 53.8 | Low | 56.6 | Low | 73 Ų | 73 | 50.5 Ų | 50.5 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.8 | 177 | 65.6 | -8 | 0 | 0 | 0 | 113.7 | V1893 S2009 R2013 | V1893-D2011 WeakPolarHBondContact CG2-O 3.49Å; S2009-D2011 WeakPolarHBondContact CB-OD1 3.31Å; S2009-D2011 PolarHBondContact O-N 3.07Å; S2009-D2011 PolarHBondContact OG-OD1 3.39Å; D2011-R2013 HydrophobicContact CB-CG 4.36Å; D2011-R2013 PolarHBondContact O-N 3.47Å; D2011-R2013 PolarHBondContact OD1-N 3.22Å; D2011-R2013 VanDerWaalsContact OD1-N 3.09Å; D2011-R2013 WeakPolarHBondContact OD2-CD 3.4Å |
| 2012 | G | 58.6 | Low | 56.8 | Low | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 68.7 | 12 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q1891 W2008 S2009 P2010 | Q1891-G2012 PolarHBondContact NE2-O 3.37Å; W2008-G2012 WeakPolarHBondContact CZ3-O 3.49Å; S2009-G2012 PolarHBondContact O-N 3.16Å; P2010-G2012 VanDerWaalsContact C-N 3.3Å |
| 2013 | R | 58.2 | Low | 57 | Low | 140 Ų | 140 | 47.2 Ų | 47.2 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -91.7 | -19 | -179.1 | -64.2 | -177.8 | 175.9 | 178.4 | -3.1 | 113.7 | S2009 D2011 P2026 F2027 | S2009-R2013 PolarHBondContact OG-N 3.32Å; D2011-R2013 HydrophobicContact CB-CG 4.36Å; D2011-R2013 PolarHBondContact O-N 3.47Å; D2011-R2013 PolarHBondContact OD1-N 3.22Å; D2011-R2013 VanDerWaalsContact OD1-N 3.09Å; D2011-R2013 WeakPolarHBondContact OD2-CD 3.4Å; R2013-P2026 CarbonylContact O-C 3.59Å; R2013-P2026 WeakPolarHBondContact O-CA 3.33Å; R2013-F2027 PolarHBondContact O-N 2.88Å |
| 2014 | L | 56.1 | Low | 56.6 | Low | 64 Ų | 64 | 48.3 Ų | 48.3 | 34% | 0.335 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.5 | 178.9 | -64.1 | 167.1 | 0 | 0 | 0 | 110 | W2008 S2009 V2024 P2026 | W2008-L2014 CarbonylContact C-O 3.6Å; W2008-L2014 WeakPolarHBondContact CA-O 3.47Å; S2009-L2014 PolarHBondContact N-O 3.33Å; S2009-L2014 WeakPolarHBondContact OG-CB 3.45Å; S2009-L2014 PolarHBondContact OG-N 2.88Å; S2009-L2014 PolarHBondContact OG-O 3.23Å; S2009-L2014 VanDerWaalsContact OG-O 3.08Å; L2014-V2024 HydrophobicContact CD2-CG1 4.06Å; L2014-P2026 HydrophobicContact CD2-CB 4.16Å; L2014-P2026 HydrophobicContact CD2-CG 4.32Å |
| 2015 | L | 65.9 | Low | 56.8 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.4 | 170.1 | 176.9 | 71.1 | 0 | 0 | 0 | 108.5 | V1903 L1911 L2006 W2008 V2024 W2025 F2027 | V1903-L2015 HydrophobicContact CB-CD2 4.28Å; V1903-L2015 HydrophobicContact CG1-CD2 3.81Å; V1903-L2015 HydrophobicContact CG2-CD2 4.11Å; L1911-L2015 HydrophobicContact CD1-CD2 3.97Å; L1911-L2015 HydrophobicContact CD2-CD2 3.79Å; L1911-L2015 HydrophobicContact CG-CD2 4.44Å; L2006-L2015 HydrophobicContact CB-CD1 4.26Å; L2006-L2015 HydrophobicContact CD2-CD2 4.38Å; L2006-L2015 HydrophobicContact CD2-CG 4.41Å; W2008-L2015 HydrophobicContact CD2-CB 4.21Å; W2008-L2015 HydrophobicContact CD2-CD1 3.82Å; W2008-L2015 HydrophobicContact CE3-CB 3.99Å; W2008-L2015 HydrophobicContact CE3-CD1 4.45Å; W2008-L2015 HydrophobicContact CG-CD1 3.93Å; W2008-L2015 HydrophobicContact CH2-CB 4.36Å; W2008-L2015 HydrophobicContact CZ2-CD1 4.4Å; W2008-L2015 HydrophobicContact CZ3-CB 4.06Å; L2015-V2024 CarbonylContact O-C 3.52Å; L2015-V2024 VanDerWaalsContact O-CA 3.28Å; L2015-V2024 WeakPolarHBondContact O-CA 3.4Å; L2015-W2025 HydrophobicContact CB-CB 4.27Å; L2015-W2025 HydrophobicContact CD2-CE3 4.2Å; L2015-W2025 HydrophobicContact CG-CE3 4.21Å; L2015-W2025 PolarHBondContact N-O 3.27Å; L2015-W2025 PolarHBondContact O-N 3Å; L2015-F2027 HydrophobicContact CB-CD2 4.49Å; L2015-F2027 HydrophobicContact CB-CE2 4.04Å; L2015-F2027 HydrophobicContact CD2-CE2 4.33Å |
| 2016 | A | 57.6 | Low | 56.4 | Low | 6 Ų | 6 | 38.9 Ų | 38.9 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1451 L2006 T2007 C2023 V2024 | F1451-A2016 HydrophobicContact CE2-CB 3.83Å; F1451-A2016 HydrophobicContact CZ-CB 4.3Å; L2006-A2016 CarbonylContact C-O 3.5Å; L2006-A2016 WeakPolarHBondContact CA-O 3.38Å; T2007-A2016 HydrophobicContact CG2-CB 4.15Å; T2007-A2016 PolarHBondContact N-O 3.05Å; T2007-A2016 PolarHBondContact O-N 3.11Å; A2016-C2023 CarbonylContact C-O 3.55Å; A2016-C2023 WeakPolarHBondContact CA-O 3.41Å; A2016-V2024 HydrophobicContact CB-CG2 4.4Å |
| 2017 | G | 57 | Low | 55.6 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | K2005 C2023 | K2005-G2017 CarbonylContact O-C 3.56Å; K2005-G2017 WeakPolarHBondContact O-CA 3.37Å; G2017-C2023 PolarHBondContact N-O 2.88Å; G2017-C2023 PolarHBondContact O-N 3.21Å |
| 2018 | L | 53.6 | Low | 54.6 | Low | 70 Ų | 70 | 41.1 Ų | 41.1 | 37% | 0.366 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 112.1 | 177.2 | -162.1 | 109.4 | 0 | 0 | 0 | 109.6 | V1449 H2004 K2005 | V1449-L2018 HydrophobicContact CG2-CD1 4.15Å; H2004-L2018 PolarHBondContact N-O 3.4Å; K2005-L2018 PolarHBondContact O-N 3.17Å |
| 2019 | S | 55.7 | Low | 53.5 | Low | 12 Ų | 12 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -114.6 | -151.8 | 159.6 | 88.2 | 0 | 0 | 0 | 0 | 109.6 | W2002 R2021 | W2002-S2019 WeakPolarHBondContact O-CA 3.41Å; W2002-S2019 WeakPolarHBondContact O-CB 3.31Å; S2019-R2021 PolarHBondContact N-O 3.34Å; S2019-R2021 PolarHBondContact O-N 2.73Å; S2019-R2021 VanDerWaalsContact O-N 3.07Å; S2019-R2021 PolarHBondContact OG-N 3.33Å; S2019-R2021 PolarHBondContact OG-O 2.91Å |
| 2020 | D | 45.7 | Very low | 52.5 | Low | 100 Ų | 100 | 47.1 Ų | 47.1 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -48.9 | -21.7 | 158.6 | -42.5 | 10.5 | 0 | 0 | 0 | 112.9 | T2001 | T2001-D2020 HydrophobicContact CG2-CB 4.19Š|
| 2021 | R | 43.6 | Very low | 51.5 | Low | 103 Ų | 103 | 49.8 Ų | 49.8 | 39% | 0.389 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -134.4 | 152.4 | 174.5 | -62.5 | -174.9 | 178.3 | -177.5 | -2.4 | 110 | S2019 C2023 V2078 | S2019-R2021 PolarHBondContact N-O 3.34Å; S2019-R2021 PolarHBondContact O-N 2.73Å; S2019-R2021 VanDerWaalsContact O-N 3.07Å; S2019-R2021 PolarHBondContact OG-N 3.33Å; S2019-R2021 PolarHBondContact OG-O 2.91Å; R2021-C2023 PolarHBondContact O-N 3.27Å; R2021-V2078 HydrophobicContact CB-CG1 4.25Å |
| 2022 | L | 50.1 | Low | 50.2 | Low | 43 Ų | 43 | 54.3 Ų | 54.3 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.9 | 170.6 | -174.4 | 66.1 | 0 | 0 | 0 | 109.1 | L2079 | L2022-L2079 HydrophobicContact CD2-CD1 4.05Å; L2022-L2079 HydrophobicContact CG-CD1 4.34Å; L2022-L2079 PolarHBondContact O-N 3.19Å |
| 2023 | C | 55.5 | Low | 48.6 | Very low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.9 | -179.3 | -60.4 | 0 | 0 | 0 | 0 | 109.1 | A2016 G2017 R2021 W2025 | A2016-C2023 CarbonylContact C-O 3.55Å; A2016-C2023 WeakPolarHBondContact CA-O 3.41Å; G2017-C2023 PolarHBondContact N-O 2.88Å; G2017-C2023 PolarHBondContact O-N 3.21Å; R2021-C2023 PolarHBondContact O-N 3.27Å; C2023-W2025 HydrophobicContact CB-CE3 4.46Å; C2023-W2025 HydrophobicContact CB-CH2 3.35Å; C2023-W2025 HydrophobicContact CB-CZ2 3.97Å; C2023-W2025 HydrophobicContact CB-CZ3 3.65Å |
| 2024 | V | 51.6 | Low | 47.1 | Very low | 23 Ų | 23 | 61.7 Ų | 61.7 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 136.2 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | L2014 L2015 A2016 R2077 L2079 | L2014-V2024 HydrophobicContact CD2-CG1 4.06Å; L2015-V2024 CarbonylContact O-C 3.52Å; L2015-V2024 VanDerWaalsContact O-CA 3.28Å; L2015-V2024 WeakPolarHBondContact O-CA 3.4Å; A2016-V2024 HydrophobicContact CB-CG2 4.4Å; V2024-R2077 PolarHBondContact N-O 2.86Å; V2024-R2077 WeakPolarHBondContact O-CA 3.48Å; V2024-R2077 WeakPolarHBondContact O-CB 3.49Å; V2024-R2077 PolarHBondContact O-N 2.87Å; V2024-L2079 HydrophobicContact CG2-CD1 3.85Å |
| 2025 | W | 62.6 | Low | 45.5 | Very low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 115.8 | 177.8 | -64.6 | -95.8 | 0 | 0 | 0 | 110.3 | L1911 S1993 A1995 L2003 L2006 L2015 C2023 F2027 C2076 | L1911-W2025 HydrophobicContact CB-CZ2 4.09Å; L1911-W2025 HydrophobicContact CD1-CH2 4.32Å; L1911-W2025 HydrophobicContact CD1-CZ3 4.4Å; L1911-W2025 HydrophobicContact CD2-CD2 3.72Å; L1911-W2025 HydrophobicContact CD2-CE3 4.2Å; L1911-W2025 HydrophobicContact CD2-CG 3.97Å; L1911-W2025 HydrophobicContact CD2-CZ2 4.11Å; L1911-W2025 HydrophobicContact CG-CZ2 4.48Å; S1993-W2025 PolarHBondContact OG-NE1 3.04Å; S1993-W2025 VanDerWaalsContact OG-NE1 3.09Å; A1995-W2025 HydrophobicContact CB-CH2 4.49Å; A1995-W2025 HydrophobicContact CB-CZ2 4.48Å; L2003-W2025 HydrophobicContact CD1-CH2 4.41Å; L2003-W2025 HydrophobicContact CD2-CH2 3.87Å; L2003-W2025 HydrophobicContact CD2-CZ3 4.48Å; L2006-W2025 HydrophobicContact CD2-CZ3 4.17Å; L2015-W2025 HydrophobicContact CB-CB 4.27Å; L2015-W2025 HydrophobicContact CD2-CE3 4.2Å; L2015-W2025 HydrophobicContact CG-CE3 4.21Å; L2015-W2025 PolarHBondContact N-O 3.27Å; L2015-W2025 PolarHBondContact O-N 3Å; C2023-W2025 HydrophobicContact CB-CE3 4.46Å; C2023-W2025 HydrophobicContact CB-CH2 3.35Å; C2023-W2025 HydrophobicContact CB-CZ2 3.97Å; C2023-W2025 HydrophobicContact CB-CZ3 3.65Å; W2025-F2027 HydrophobicContact CB-CE2 4.07Å; W2025-C2076 VanDerWaalsContact CD1-CA 3.49Å; W2025-C2076 HydrophobicContact CZ2-CB 3.98Å; W2025-C2076 WeakPolarHBondContact CZ2-SG 3.1Å; W2025-C2076 VanDerWaalsContact NE1-CA 3.29Å |
| 2026 | P | 53.9 | Low | 43.7 | Very low | 14 Ų | 14 | 70.7 Ų | 70.7 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 140 | 169.3 | -12.8 | 28 | 0 | 0 | 0 | 113 | R2013 L2014 Q2074 | R2013-P2026 CarbonylContact O-C 3.59Å; R2013-P2026 WeakPolarHBondContact O-CA 3.33Å; L2014-P2026 HydrophobicContact CD2-CB 4.16Å; L2014-P2026 HydrophobicContact CD2-CG 4.32Å; P2026-Q2074 HydrophobicContact CB-CB 4.45Å; P2026-Q2074 HydrophobicContact CG-CB 4.37Å; P2026-Q2074 PolarHBondContact O-N 2.73Å |
| 2027 | F | 55.7 | Low | 42.1 | Very low | 5 Ų | 5 | 78 Ų | 78 | 2% | 0.022 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 107.8 | 174.2 | -77.6 | -105.5 | 0 | 0 | 0 | 108.4 | V1913 W2008 R2013 L2015 W2025 I2073 | V1913-F2027 HydrophobicContact CG1-CE1 4.23Å; V1913-F2027 HydrophobicContact CG1-CZ 4.42Å; V1913-F2027 HydrophobicContact CG2-CZ 4.1Å; W2008-F2027 AromaticContact CH2-CD1 3.81Å; W2008-F2027 HydrophobicContact CH2-CD1 3.81Å; W2008-F2027 AromaticContact CH2-CD2 3.5Å; W2008-F2027 HydrophobicContact CH2-CD2 3.5Å; W2008-F2027 VanDerWaalsContact CH2-CD2 3.5Å; W2008-F2027 AromaticContact CH2-CE1 3.71Å; W2008-F2027 HydrophobicContact CH2-CE1 3.71Å; W2008-F2027 AromaticContact CH2-CE2 3.4Å; W2008-F2027 HydrophobicContact CH2-CE2 3.4Å; W2008-F2027 VanDerWaalsContact CH2-CE2 3.4Å; W2008-F2027 AromaticContact CH2-CG 3.72Å; W2008-F2027 HydrophobicContact CH2-CG 3.72Å; W2008-F2027 AromaticContact CH2-CZ 3.52Å; W2008-F2027 HydrophobicContact CH2-CZ 3.52Å; W2008-F2027 HydrophobicContact CZ2-CE2 4.28Å; W2008-F2027 HydrophobicContact CZ2-CZ 4.19Å; W2008-F2027 HydrophobicContact CZ3-CB 4.31Å; W2008-F2027 HydrophobicContact CZ3-CD1 4.35Å; W2008-F2027 AromaticContact CZ3-CD2 3.49Å; W2008-F2027 HydrophobicContact CZ3-CD2 3.49Å; W2008-F2027 VanDerWaalsContact CZ3-CD2 3.49Å; W2008-F2027 AromaticContact CZ3-CE2 3.81Å; W2008-F2027 HydrophobicContact CZ3-CE2 3.81Å; W2008-F2027 AromaticContact CZ3-CG 3.81Å; W2008-F2027 HydrophobicContact CZ3-CG 3.81Å; W2008-F2027 HydrophobicContact CZ3-CZ 4.36Å; R2013-F2027 PolarHBondContact O-N 2.88Å; L2015-F2027 HydrophobicContact CB-CD2 4.49Å; L2015-F2027 HydrophobicContact CB-CE2 4.04Å; L2015-F2027 HydrophobicContact CD2-CE2 4.33Å; W2025-F2027 HydrophobicContact CB-CE2 4.07Å; F2027-I2073 HydrophobicContact CD1-CD1 4.3Å; F2027-I2073 HydrophobicContact CD1-CG1 3.84Å; F2027-I2073 HydrophobicContact CE1-CB 4.41Å; F2027-I2073 HydrophobicContact CE1-CD1 3.51Å; F2027-I2073 HydrophobicContact CE1-CG1 3.5Å; F2027-I2073 HydrophobicContact CE1-CG2 4.07Å; F2027-I2073 HydrophobicContact CE2-CG2 4.14Å; F2027-I2073 HydrophobicContact CZ-CD1 4.04Å; F2027-I2073 HydrophobicContact CZ-CG1 4.13Å; F2027-I2073 HydrophobicContact CZ-CG2 3.83Å |
| 2028 | E | 45.9 | Very low | 40.6 | Very low | 109 Ų | 109 | 85 Ų | 85 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.6 | -179.2 | -72.6 | 170.5 | -177.3 | 0 | 0 | 111.1 | F2071 Q2074 | E2028-F2071 VanDerWaalsContact O-CD1 3.29Å; E2028-F2071 WeakPolarHBondContact O-CD1 3.46Å; E2028-Q2074 VanDerWaalsContact CD-NE2 3.3Å; E2028-Q2074 PolarHBondContact OE1-NE2 3.2Å; E2028-Q2074 PolarHBondContact OE2-NE2 3.32Å |
| 2029 | S | 41.1 | Very low | 39.2 | Very low | 46 Ų | 46 | 89.5 Ų | 89.5 | 32% | 0.322 | 46% | 0.46 | S | S | . | . | trans | -98.6 | 125.1 | 170 | 44 | 0 | 0 | 0 | 0 | 110.8 | E1895 F2071 | E1895-S2029 PolarHBondContact OE2-OG 3.11Å; S2029-F2071 VanDerWaalsContact CB-CE1 3.46Å | ||
| 2030 | I | 31.4 | Very low | 37.8 | Very low | 106 Ų | 106 | 94.1 Ų | 94.1 | 54% | 0.544 | 49% | 0.493 | S | S | . | . | trans | -91.2 | 102 | 172.8 | -53.9 | 168.7 | 0 | 0 | 0 | 107.8 | ||||
| 2031 | Q | 28.9 | Very low | 36.8 | Very low | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | trans | -118.7 | 116.3 | 167.4 | -98.3 | -172.9 | -1.6 | 0 | 0 | 110.4 | F2033 | Q2031-F2033 HydrophobicContact CB-CE2 4.4Š| ||
| 2032 | Q | 25.5 | Very low | 36 | Very low | 167 Ų | 167 | 99.1 Ų | 99.1 | 78% | 0.78 | 53% | 0.527 | S | S | * | . | trans | -87.1 | 111.1 | 167.7 | -113 | 171.6 | -34 | 0 | 0 | 108 | D2034 | Q2032-D2034 PolarHBondContact O-N 3.09Š| ||
| 2033 | F | 25.4 | Very low | 34.7 | Very low | 161 Ų | 161 | 101.9 Ų | 101.9 | 71% | 0.706 | 55% | 0.55 | S | S | * | * | trans | -88.9 | 88.5 | 167.4 | -80.9 | -85.4 | 0 | 0 | 0 | 108.6 | Q2031 L2035 | Q2031-F2033 HydrophobicContact CB-CE2 4.4Å; F2033-L2035 VanDerWaalsContact C-N 3.35Å; F2033-L2035 PolarHBondContact O-N 3.24Å; F2033-L2035 VanDerWaalsContact O-N 3.12Å | ||
| 2034 | D | 25.4 | Very low | 33.3 | Very low | 136 Ų | 136 | 107 Ų | 107 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | trans | -77 | 91.6 | 164.5 | -71.5 | -24.8 | 0 | 0 | 0 | 107.6 | Q2032 | Q2032-D2034 PolarHBondContact O-N 3.09Š| ||
| 2035 | L | 24.4 | Very low | 32 | Very low | 140 Ų | 140 | 112.9 Ų | 112.9 | 73% | 0.733 | 62% | 0.617 | S | S | * | * | trans | -65.9 | 125.6 | 168.8 | -76.6 | 159.1 | 0 | 0 | 0 | 108.2 | F2033 N2037 | F2033-L2035 VanDerWaalsContact C-N 3.35Å; F2033-L2035 PolarHBondContact O-N 3.24Å; F2033-L2035 VanDerWaalsContact O-N 3.12Å; L2035-N2037 PolarHBondContact O-N 3.29Å | ||
| 2036 | P | 26.1 | Very low | 30.2 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -68.8 | 120 | 174.3 | 19.9 | -17.2 | 0 | 0 | 0 | 108.7 | D2038 | P2036-D2038 VanDerWaalsContact C-N 3.34Å; P2036-D2038 PolarHBondContact O-N 3.42Å | ||
| 2037 | N | 24 | Very low | 28.6 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -60.9 | 88.5 | 174.8 | -69.3 | -25.3 | 0 | 0 | 0 | 110.5 | L2035 | L2035-N2037 PolarHBondContact O-N 3.29Š| ||
| 2038 | D | 25.4 | Very low | 27.1 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -114.5 | 76.8 | 162.1 | -92 | -22.4 | 0 | 0 | 0 | 108 | P2036 | P2036-D2038 VanDerWaalsContact C-N 3.34Å; P2036-D2038 PolarHBondContact O-N 3.42Å | ||
| 2039 | D | 26 | Very low | 26 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -108.3 | 81.9 | 163.8 | -84.2 | -30 | 0 | 0 | 0 | 108.8 | ||||
| 2040 | S | 25.8 | Very low | 25.1 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -75.1 | 118.8 | 146.7 | 56.3 | 0 | 0 | 0 | 0 | 108.2 | D2042 | S2040-D2042 PolarHBondContact O-N 3.19Š| ||
| 2041 | N | 23.9 | Very low | 24.7 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -26.4 | 125.7 | 164.7 | -65.1 | -38.8 | 0 | 0 | 0 | 113.3 | ||||
| 2042 | D | 27 | Very low | 24.4 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | -171.7 | 145.9 | 119.5 | -94 | -23.4 | 0 | 0 | 0 | 113.1 | S2040 | S2040-D2042 PolarHBondContact O-N 3.19Š| |||
| 2043 | S | 24.1 | Very low | 24.2 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -57.9 | 162 | -174.2 | 53.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2044 | S | 24.9 | Very low | 24.1 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 103.7 | 109.3 | 149.9 | 73.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2045 | D | 24.3 | Very low | 23.8 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | 26.6 | 114.2 | 137.4 | -61.9 | -23.9 | 0 | 0 | 0 | 118.2 | ||||
| 2046 | N | 24.7 | Very low | 23.7 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | -163.7 | 119.3 | 126.7 | -92.8 | -39.2 | 0 | 0 | 0 | 112.3 | |||||
| 2047 | T | 21.6 | Very low | 23.5 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -73.1 | 116.3 | 168.7 | 37.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2048 | S | 23.5 | Very low | 23.4 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -157.4 | 124.2 | 154.7 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2049 | S | 22.2 | Very low | 23.3 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -54.9 | 141.4 | -177.9 | 38.6 | 0 | 0 | 0 | 0 | 114.2 | A2051 | S2049-A2051 PolarHBondContact O-N 3.27Š| ||
| 2050 | P | 23.4 | Very low | 23.1 | Very low | 135 Ų | 135 | 141 Ų | 141 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -90.5 | 94.1 | -172.2 | 34.7 | -30.6 | 0 | 0 | 0 | 111.1 | ||||
| 2051 | A | 21.5 | Very low | 23 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -98.9 | 110.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | S2049 F2053 | S2049-A2051 PolarHBondContact O-N 3.27Å; A2051-F2053 PolarHBondContact O-N 2.93Å | ||
| 2052 | T | 23.4 | Very low | 23 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | 38.1 | 75.6 | 148.8 | 44 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2053 | F | 20.6 | Very low | 22.9 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -123.2 | 99 | 152.8 | -93 | -83.3 | 0 | 0 | 0 | 110.5 | A2051 R2055 | A2051-F2053 PolarHBondContact O-N 2.93Å; F2053-R2055 PolarHBondContact O-N 3.26Å | ||
| 2054 | I | 23.5 | Very low | 23 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -63.4 | 96 | 163.1 | -63.4 | 165.9 | 0 | 0 | 0 | 106.5 | H2056 | I2054-H2056 PolarHBondContact O-N 3.32Š| ||
| 2055 | R | 19.3 | Very low | 23 | Very low | 226 Ų | 226 | 143.3 Ų | 143.3 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -73 | 110.1 | 171 | -95.7 | -177.5 | 172.9 | 172.7 | -0.9 | 108.3 | F2053 V2057 | F2053-R2055 PolarHBondContact O-N 3.26Å; R2055-V2057 PolarHBondContact O-N 3.02Å | ||
| 2056 | H | 22 | Very low | 23.1 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | -57.8 | 98.1 | 162.9 | -85.1 | -85.4 | 0 | 0 | 0 | 109.1 | I2054 S2058 | I2054-H2056 PolarHBondContact O-N 3.32Å; H2056-S2058 PolarHBondContact O-N 3.11Å | ||
| 2057 | V | 22.5 | Very low | 23.2 | Very low | 135 Ų | 135 | 143 Ų | 143 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -74.8 | 111.2 | 170.3 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | R2055 | R2055-V2057 PolarHBondContact O-N 3.02Š| ||
| 2058 | S | 21.8 | Very low | 23.4 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -67.1 | 128.9 | 175.8 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | H2056 Q2060 | H2056-S2058 PolarHBondContact O-N 3.11Å; S2058-Q2060 PolarHBondContact O-N 3.24Å | ||
| 2059 | V | 23.9 | Very low | 23.7 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -45.4 | 113 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2060 | Q | 21.1 | Very low | 24.2 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -109.4 | 130.6 | 154.3 | -85.8 | -171 | -12.1 | 0 | 0 | 108.6 | S2058 | S2058-Q2060 PolarHBondContact O-N 3.24Š| ||
| 2061 | D | 23.7 | Very low | 25 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -60.6 | 143.9 | -171.2 | -70.1 | -54 | 0 | 0 | 0 | 113.4 | ||
| 2062 | K | 23.6 | Very low | 26 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | 80.9 | 76.8 | 170.3 | -55.2 | 177.5 | 179 | 177.5 | 0 | 115.9 | ||||
| 2063 | V | 25.1 | Very low | 27.1 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | trans | -100.2 | 128 | 157 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | L2066 | V2063-L2066 HydrophobicContact CG1-CD1 4.49Š| ||
| 2064 | P | 25.8 | Very low | 28.2 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | trans | -70.2 | 157.1 | -178.6 | 14.6 | -4.4 | 0 | 0 | 0 | 111 | L2066 | P2064-L2066 PolarHBondContact O-N 3.14Š| ||
| 2065 | A | 25.9 | Very low | 29.2 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 83% | 0.826 | 68% | 0.676 | S | S | * | * | trans | -40.8 | 100.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N2067 | A2065-N2067 PolarHBondContact O-N 3.44Š| ||
| 2066 | L | 25.5 | Very low | 30.4 | Very low | 148 Ų | 148 | 119 Ų | 119 | 78% | 0.775 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.4 | 173.6 | -141.4 | 87.6 | 0 | 0 | 0 | 107.5 | V2063 P2064 T2068 | V2063-L2066 HydrophobicContact CG1-CD1 4.49Å; P2064-L2066 PolarHBondContact O-N 3.14Å; L2066-T2068 PolarHBondContact O-N 3.01Å |
| 2067 | N | 26.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 117 Ų | 117 | 84% | 0.84 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 123.2 | 172.8 | -81 | -29.7 | 0 | 0 | 0 | 109.1 | A2065 | A2065-N2067 PolarHBondContact O-N 3.44Š|
| 2068 | T | 27.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 112 Ų | 112 | 66% | 0.663 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 132.9 | 177.2 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | L2066 K2070 | L2066-T2068 PolarHBondContact O-N 3.01Å; T2068-K2070 PolarHBondContact O-N 2.8Å |
| 2069 | P | 28.5 | Very low | 32.3 | Very low | 56 Ų | 56 | 109.6 Ų | 109.6 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 121.2 | -179.6 | 24.1 | -32.7 | 0 | 0 | 0 | 110.4 | F2071 | P2069-F2071 PolarHBondContact O-N 3.39Š|
| 2070 | K | 34.1 | Very low | 32.3 | Very low | 169 Ų | 169 | 111.7 Ų | 111.7 | 74% | 0.735 | 57% | 0.568 | S | S | * | * | trans | -80.8 | 99.4 | 173.2 | -76.3 | -176.1 | 178.7 | 177.4 | 0 | 108.5 | T2068 E2072 | T2068-K2070 PolarHBondContact O-N 2.8Å; K2070-E2072 PolarHBondContact O-N 2.85Å | ||
| 2071 | F | 39.1 | Very low | 32.5 | Very low | 39 Ų | 39 | 107.3 Ų | 107.3 | 17% | 0.171 | 55% | 0.554 | C | S | . | * | trans | -67.7 | 121.1 | 162.9 | -79.9 | -91.9 | 0 | 0 | 0 | 109.4 | R1915 E2028 S2029 P2069 | R1915-F2071 PolarHBondContact NH2-O 2.87Å; E2028-F2071 VanDerWaalsContact O-CD1 3.29Å; E2028-F2071 WeakPolarHBondContact O-CD1 3.46Å; S2029-F2071 VanDerWaalsContact CB-CE1 3.46Å; P2069-F2071 PolarHBondContact O-N 3.39Å | ||
| 2072 | E | 42.6 | Very low | 32.5 | Very low | 148 Ų | 148 | 107 Ų | 107 | 69% | 0.692 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 125 | 173.1 | -137.2 | 178.2 | -166.6 | 0 | 0 | 109.1 | K2070 | K2070-E2072 PolarHBondContact O-N 2.85Å |
| 2073 | I | 46 | Very low | 32.5 | Very low | 29 Ų | 29 | 99.4 Ų | 99.4 | 15% | 0.149 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115 | -178.5 | -56.5 | 169.5 | 0 | 0 | 0 | 107.8 | V1913 Y1991 F2027 | V1913-I2073 HydrophobicContact CB-CD1 3.99Å; V1913-I2073 HydrophobicContact CG1-CD1 3.71Å; V1913-I2073 HydrophobicContact CG2-CD1 4.09Å; Y1991-I2073 HydrophobicContact CD1-CB 3.94Å; Y1991-I2073 HydrophobicContact CD1-CD1 3.84Å; Y1991-I2073 HydrophobicContact CD1-CG2 3.67Å; Y1991-I2073 HydrophobicContact CD2-CB 4.21Å; Y1991-I2073 HydrophobicContact CE1-CB 3.9Å; Y1991-I2073 HydrophobicContact CE1-CG2 3.34Å; Y1991-I2073 HydrophobicContact CE2-CB 4.18Å; Y1991-I2073 HydrophobicContact CE2-CG2 4.43Å; Y1991-I2073 HydrophobicContact CG-CB 4.09Å; Y1991-I2073 HydrophobicContact CG-CD1 3.82Å; Y1991-I2073 HydrophobicContact CG-CG2 4.33Å; Y1991-I2073 PolarHBondContact OH-O 3.28Å; F2027-I2073 HydrophobicContact CD1-CD1 4.3Å; F2027-I2073 HydrophobicContact CD1-CG1 3.84Å; F2027-I2073 HydrophobicContact CE1-CB 4.41Å; F2027-I2073 HydrophobicContact CE1-CD1 3.51Å; F2027-I2073 HydrophobicContact CE1-CG1 3.5Å; F2027-I2073 HydrophobicContact CE1-CG2 4.07Å; F2027-I2073 HydrophobicContact CE2-CG2 4.14Å; F2027-I2073 HydrophobicContact CZ-CD1 4.04Å; F2027-I2073 HydrophobicContact CZ-CG1 4.13Å; F2027-I2073 HydrophobicContact CZ-CG2 3.83Å |
| 2074 | Q | 44.1 | Very low | 32.4 | Very low | 53 Ų | 53 | 96.6 Ų | 96.6 | 25% | 0.248 | 51% | 0.51 | C | S | . | . | trans | -70.2 | 150 | 180 | -66.6 | -173.4 | 9.9 | 0 | 0 | 111 | Y1991 P2026 E2028 | Y1991-Q2074 PolarHBondContact OH-O 3.33Å; P2026-Q2074 HydrophobicContact CB-CB 4.45Å; P2026-Q2074 HydrophobicContact CG-CB 4.37Å; P2026-Q2074 PolarHBondContact O-N 2.73Å; E2028-Q2074 VanDerWaalsContact CD-NE2 3.3Å; E2028-Q2074 PolarHBondContact OE1-NE2 3.2Å; E2028-Q2074 PolarHBondContact OE2-NE2 3.32Å | ||
| 2075 | Q | 45.1 | Very low | 32.3 | Very low | 164 Ų | 164 | 93.8 Ų | 93.8 | 77% | 0.766 | 50% | 0.5 | S | S | * | . | trans | -55.9 | 148.9 | 178.8 | -72.3 | -174 | -4.4 | 0 | 0 | 112 | R2077 | Q2075-R2077 PolarHBondContact O-N 3Š| ||
| 2076 | C | 43.3 | Very low | 32.1 | Very low | 20 Ų | 20 | 92.3 Ų | 92.3 | 14% | 0.135 | 49% | 0.488 | C | S | . | . | trans | -46 | 109.1 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | S1993 W2025 V2078 | S1993-C2076 WeakPolarHBondContact OG-CB 3.14Å; S1993-C2076 PolarHBondContact OG-N 3.39Å; W2025-C2076 VanDerWaalsContact CD1-CA 3.49Å; W2025-C2076 HydrophobicContact CZ2-CB 3.98Å; W2025-C2076 WeakPolarHBondContact CZ2-SG 3.1Å; W2025-C2076 VanDerWaalsContact NE1-CA 3.29Å; C2076-V2078 PolarHBondContact O-N 3.29Å; C2076-V2078 VanDerWaalsContact SG-CG2 3.53Å | ||
| 2077 | R | 39 | Very low | 32 | Very low | 143 Ų | 143 | 90.2 Ų | 90.2 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 105.2 | 170.8 | -62.8 | -168.4 | -175.7 | -168.5 | 3.9 | 107.5 | V2024 Q2075 | V2024-R2077 PolarHBondContact N-O 2.86Å; V2024-R2077 WeakPolarHBondContact O-CA 3.48Å; V2024-R2077 WeakPolarHBondContact O-CB 3.49Å; V2024-R2077 PolarHBondContact O-N 2.87Å; Q2075-R2077 PolarHBondContact O-N 3Å |
| 2078 | V | 35.7 | Very low | 31.8 | Very low | 29 Ų | 29 | 88.7 Ų | 88.7 | 18% | 0.176 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 115.3 | 171.6 | 175.1 | 0 | 0 | 0 | 0 | 107.9 | A1996 R2021 C2076 R2080 | A1996-V2078 HydrophobicContact CB-CB 4.01Å; A1996-V2078 HydrophobicContact CB-CG2 3.17Å; A1996-V2078 WeakPolarHBondContact O-CG1 3.28Å; A1996-V2078 WeakPolarHBondContact O-CG2 3.27Å; R2021-V2078 HydrophobicContact CB-CG1 4.25Å; C2076-V2078 PolarHBondContact O-N 3.29Å; C2076-V2078 VanDerWaalsContact SG-CG2 3.53Å; V2078-R2080 VanDerWaalsContact C-N 3.28Å; V2078-R2080 PolarHBondContact O-N 3.27Å |
| 2079 | L | 31.4 | Very low | 31.6 | Very low | 53 Ų | 53 | 90.3 Ų | 90.3 | 28% | 0.277 | 48% | 0.481 | S | S | . | . | trans | -67.2 | 93.1 | 175.5 | -65.2 | 168.4 | 0 | 0 | 0 | 107.5 | L2022 V2024 L2135 | L2022-L2079 HydrophobicContact CD2-CD1 4.05Å; L2022-L2079 HydrophobicContact CG-CD1 4.34Å; L2022-L2079 PolarHBondContact O-N 3.19Å; V2024-L2079 HydrophobicContact CG2-CD1 3.85Å; L2079-L2135 HydrophobicContact CB-CD1 4.21Å; L2079-L2135 HydrophobicContact CD1-CD1 4.07Å | ||
| 2080 | R | 25.7 | Very low | 31.3 | Very low | 173 Ų | 173 | 91 Ų | 91 | 65% | 0.653 | 48% | 0.484 | S | S | * | . | trans | -81.2 | 135.1 | 173.4 | -98.8 | -172.2 | -171.2 | -169.8 | 1.3 | 109.2 | V2078 L2082 | V2078-R2080 VanDerWaalsContact C-N 3.28Å; V2078-R2080 PolarHBondContact O-N 3.27Å; R2080-L2082 PolarHBondContact O-N 3.43Å | ||
| 2081 | V | 23.7 | Very low | 30.9 | Very low | 89 Ų | 89 | 86 Ų | 86 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | trans | -51.4 | 117 | 165.3 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | V2128 | V2081-V2128 HydrophobicContact CG2-CG1 4.48Š| ||
| 2082 | L | 23.6 | Very low | 30.3 | Very low | 139 Ų | 139 | 90.8 Ų | 90.8 | 73% | 0.728 | 51% | 0.513 | S | S | * | . | trans | -110.2 | 102.1 | 163.9 | -74.3 | 171.3 | 0 | 0 | 0 | 107.6 | R2080 | R2080-L2082 PolarHBondContact O-N 3.43Š| ||
| 2083 | S | 23.8 | Very low | 29.3 | Very low | 43 Ų | 43 | 88.3 Ų | 88.3 | 30% | 0.301 | 51% | 0.512 | S | S | . | . | trans | -65.7 | 131.6 | 167.1 | 59.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 2084 | S | 22.7 | Very low | 28.2 | Very low | 59 Ų | 59 | 91.2 Ų | 91.2 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | S | Bend | trans | 53.4 | 112.5 | 166.7 | 67.3 | 0 | 0 | 0 | 0 | 118.1 | T1399 | T1399-S2084 VanDerWaalsContact CG2-CB 3.42Å; T1399-S2084 WeakPolarHBondContact CG2-OG 3.32Å |
| 2085 | G | 23.7 | Very low | 27.1 | Very low | 50 Ų | 50 | 93.8 Ų | 93.8 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | S | Bend | 69.2 | 112.2 | 128.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | C1377 | C1377-G2085 WeakPolarHBondContact CB-O 3.35Š| |
| 2086 | A | 23.3 | Very low | 25.9 | Very low | 70 Ų | 70 | 94.4 Ų | 94.4 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | trans | 66.9 | 94.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2087 | C | 21.9 | Very low | 24.9 | Very low | 103 Ų | 103 | 100.6 Ų | 100.6 | 70% | 0.696 | 59% | 0.59 | S | S | * | * | trans | -50 | 144.5 | 152.2 | -61.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 2088 | N | 22.8 | Very low | 24.1 | Very low | 126 Ų | 126 | 99 Ų | 99 | 67% | 0.674 | 60% | 0.596 | S | S | * | * | -157.7 | 94.3 | 127.5 | -93.3 | -15.8 | 0 | 0 | 0 | 109.9 | |||||
| 2089 | L | 22.8 | Very low | 23.4 | Very low | 142 Ų | 142 | 100.9 Ų | 100.9 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | trans | 19.6 | 117.2 | 140.4 | -66 | 149.7 | 0 | 0 | 0 | 116.9 | ||||
| 2090 | T | 22.9 | Very low | 23 | Very low | 70 Ų | 70 | 102.5 Ų | 102.5 | 43% | 0.429 | 63% | 0.627 | S | S | . | * | -176 | 86 | 113.1 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | F1363 | F1363-T2090 HydrophobicContact CE1-CG2 3.79Å; F1363-T2090 HydrophobicContact CE2-CG2 3.54Å; F1363-T2090 VanDerWaalsContact CE2-OG1 3.24Å; F1363-T2090 WeakPolarHBondContact CE2-OG1 3.41Å; F1363-T2090 HydrophobicContact CZ-CG2 3.06Å | |||
| 2091 | G | 26.4 | Very low | 22.9 | Very low | 64 Ų | 64 | 98 Ų | 98 | 66% | 0.66 | 62% | 0.622 | S | S | * | * | trans | -82.7 | 138.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S2093 | G2091-S2093 PolarHBondContact O-N 2.75Š| ||
| 2092 | T | 25.1 | Very low | 22.8 | Very low | 139 Ų | 139 | 103 Ų | 103 | 85% | 0.853 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -77.3 | 46.8 | -179.7 | 45.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 2093 | S | 22.6 | Very low | 22.8 | Very low | 96 Ų | 96 | 102.2 Ų | 102.2 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -102.9 | 114.3 | 136.1 | 60 | 0 | 0 | 0 | 0 | 104.9 | G2091 | G2091-S2093 PolarHBondContact O-N 2.75Š|
| 2094 | P | 21.8 | Very low | 22.8 | Very low | 90 Ų | 90 | 107.2 Ų | 107.2 | 58% | 0.584 | 65% | 0.649 | S | S | * | * | trans | -54.8 | 134.1 | -175.6 | 24.6 | -31.4 | 0 | 0 | 0 | 108.1 | L2096 M2097 | P2094-L2096 PolarHBondContact O-N 3.19Å; P2094-M2097 HydrophobicContact CB-CB 4.38Å; P2094-M2097 HydrophobicContact CB-CG 4.1Å | ||
| 2095 | P | 21.8 | Very low | 22.8 | Very low | 107 Ų | 107 | 112.1 Ų | 112.1 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -53.4 | 145.6 | 162.3 | 29.1 | -32.7 | 0 | 0 | 0 | 105.8 | M2097 | P2095-M2097 WeakPolarHBondContact O-CA 3.3Å; P2095-M2097 PolarHBondContact O-N 2.98Å |
| 2096 | L | 20.7 | Very low | 22.8 | Very low | 177 Ų | 177 | 115.7 Ų | 115.7 | 93% | 0.927 | 67% | 0.671 | S | S | * | * | trans | -26 | 86.3 | 176.2 | -86.3 | 156.1 | 0 | 0 | 0 | 111.5 | P2094 V2098 | P2094-L2096 PolarHBondContact O-N 3.19Å; L2096-V2098 PolarHBondContact O-N 3.48Å | ||
| 2097 | M | 21.3 | Very low | 22.7 | Very low | 150 Ų | 150 | 119 Ų | 119 | 74% | 0.739 | 68% | 0.68 | S | S | * | * | trans | -88.8 | 85.5 | 178.8 | -94.5 | -127.1 | -138.6 | 0 | 0 | 101.2 | P2094 P2095 S2099 | P2094-M2097 HydrophobicContact CB-CB 4.38Å; P2094-M2097 HydrophobicContact CB-CG 4.1Å; P2095-M2097 WeakPolarHBondContact O-CA 3.3Å; P2095-M2097 PolarHBondContact O-N 2.98Å; M2097-S2099 VanDerWaalsContact C-N 3.33Å; M2097-S2099 PolarHBondContact O-N 2.63Å | ||
| 2098 | V | 21.9 | Very low | 22.9 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 66% | 0.661 | 68% | 0.675 | S | S | * | * | trans | -51.7 | 111 | 158.4 | -180 | 0 | 0 | 0 | 0 | 104.3 | L2096 S2100 | L2096-V2098 PolarHBondContact O-N 3.48Å; V2098-S2100 PolarHBondContact O-N 3.11Å; V2098-S2100 VanDerWaalsContact O-N 3.07Å | ||
| 2099 | S | 20.9 | Very low | 23 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 49% | 0.49 | 68% | 0.683 | S | S | . | * | trans | -51.7 | 123.8 | -173 | 62 | 0 | 0 | 0 | 0 | 108.8 | M2097 S2101 R2102 | M2097-S2099 VanDerWaalsContact C-N 3.33Å; M2097-S2099 PolarHBondContact O-N 2.63Å; S2099-S2101 PolarHBondContact O-N 3.44Å; S2099-S2101 PolarHBondContact OG-OG 2.88Å; S2099-R2102 PolarHBondContact O-N 3.45Å | ||
| 2100 | S | 23.8 | Very low | 23 | Very low | 87 Ų | 87 | 120 Ų | 120 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -57.9 | -7 | -175.4 | 38.3 | 0 | 0 | 0 | 0 | 114.5 | V2098 R2102 L2103 | V2098-S2100 PolarHBondContact O-N 3.11Å; V2098-S2100 VanDerWaalsContact O-N 3.07Å; S2100-R2102 PolarHBondContact O-N 2.78Å; S2100-L2103 PolarHBondContact O-N 3.48Å |
| 2101 | S | 23.1 | Very low | 23.1 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 55% | 0.552 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -71.1 | -4.1 | 172 | 55.3 | 0 | 0 | 0 | 0 | 115 | S2099 | S2099-S2101 PolarHBondContact O-N 3.44Å; S2099-S2101 PolarHBondContact OG-OG 2.88Å |
| 2102 | R | 21.7 | Very low | 23 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -104.6 | -4.6 | 166.9 | -90.5 | -169.4 | 176.8 | -178 | -0.2 | 115.3 | S2099 S2100 | S2099-R2102 PolarHBondContact O-N 3.45Å; S2100-R2102 PolarHBondContact O-N 2.78Å |
| 2103 | L | 23.9 | Very low | 22.9 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -89.3 | -9.8 | 179.9 | -97.5 | 155.9 | 0 | 0 | 0 | 113.9 | S2100 | S2100-L2103 PolarHBondContact O-N 3.48Š|
| 2104 | L | 23.2 | Very low | 23 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -92.5 | -5.5 | 175.4 | -82 | 163.4 | 0 | 0 | 0 | 114.5 | I2106 | L2104-I2106 VanDerWaalsContact C-N 3.35Š|
| 2105 | E | 23.3 | Very low | 23.1 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -89.1 | 2 | 170.3 | -80.2 | -173.5 | 163.9 | 0 | 0 | 113.6 | ||
| 2106 | I | 22.9 | Very low | 23.2 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 64% | 0.641 | 74% | 0.738 | S | S | * | * | trans | -127.3 | 39.4 | -173.9 | -39.9 | 179.8 | 0 | 0 | 0 | 111.3 | L2104 | L2104-I2106 VanDerWaalsContact C-N 3.35Š| ||
| 2107 | N | 23 | Very low | 23.4 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | -100.1 | 26.6 | 158.2 | -92.8 | -12.8 | 0 | 0 | 0 | 111.5 | ||||
| 2108 | S | 24.1 | Very low | 23.5 | Very low | 85 Ų | 85 | 134.8 Ų | 134.8 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | trans | -87.8 | 113.5 | 166.4 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | D2110 | S2108-D2110 PolarHBondContact O-N 2.98Š| ||
| 2109 | N | 25.3 | Very low | 23.7 | Very low | 157 Ų | 157 | 136 Ų | 136 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -65.4 | 52.1 | -175.2 | -82.3 | -46.4 | 0 | 0 | 0 | 115.1 | K2111 | N2109-K2111 PolarHBondContact O-N 3.49Š| ||
| 2110 | D | 24.3 | Very low | 23.8 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | -98.9 | 98 | 176.6 | -81.5 | -27.7 | 0 | 0 | 0 | 112.4 | S2108 N2112 | S2108-D2110 PolarHBondContact O-N 2.98Å; D2110-N2112 PolarHBondContact O-N 2.95Å | ||
| 2111 | K | 23.3 | Very low | 23.9 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -55.3 | 109.7 | 164 | -64.2 | 173.3 | 177.5 | 176.2 | 0 | 109.3 | N2109 | N2109-K2111 PolarHBondContact O-N 3.49Š| ||
| 2112 | N | 24.3 | Very low | 23.9 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 153.8 | 87.6 | 143.5 | -79.5 | -19.1 | 0 | 0 | 0 | 112.5 | D2110 | D2110-N2112 PolarHBondContact O-N 2.95Š| ||
| 2113 | Y | 24.4 | Very low | 24 | Very low | 243 Ų | 243 | 138.9 Ų | 138.9 | 95% | 0.953 | 75% | 0.754 | S | S | * | * | trans | -157.1 | 120.8 | 153.1 | -71.8 | -69.3 | 0 | 0 | 0 | 106.6 | ||||
| 2114 | G | 24.1 | Very low | 24.1 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | 100.5 | 124.8 | 72.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | F2116 | G2114-F2116 PolarHBondContact O-N 3.07Š| |||
| 2115 | P | 24.8 | Very low | 24.2 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 73% | 0.734 | S | S | * | * | trans | -72.4 | 125.8 | -160.6 | 29 | -33.1 | 0 | 0 | 0 | 113.8 | S2117 | P2115-S2117 PolarHBondContact O-N 3.43Š| ||
| 2116 | F | 22.8 | Very low | 24.4 | Very low | 213 Ų | 213 | 129.2 Ų | 129.2 | 93% | 0.934 | 71% | 0.713 | S | S | * | * | trans | -7.8 | 104.5 | 167.3 | -54.8 | -80.7 | 0 | 0 | 0 | 117.7 | G2114 | G2114-F2116 PolarHBondContact O-N 3.07Š| ||
| 2117 | S | 24.8 | Very low | 24.5 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | trans | -79.9 | 126.4 | 160.1 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | P2115 I2119 | P2115-S2117 PolarHBondContact O-N 3.43Å; S2117-I2119 PolarHBondContact O-N 2.91Å | ||
| 2118 | S | 23.7 | Very low | 24.9 | Very low | 124 Ų | 124 | 121 Ų | 121 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | trans | -62.3 | 90.3 | -179.7 | 55 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2119 | I | 25.1 | Very low | 25 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | trans | -120.5 | 133.7 | 167.1 | -64.9 | 166.5 | 0 | 0 | 0 | 104.4 | S2117 | S2117-I2119 PolarHBondContact O-N 2.91Š| ||
| 2120 | D | 25 | Very low | 25.1 | Very low | 151 Ų | 151 | 115.8 Ų | 115.8 | 81% | 0.807 | 64% | 0.644 | S | S | * | * | trans | 107.8 | 86 | -178.5 | -55.2 | -24 | 0 | 0 | 0 | 115.4 | ||||
| 2121 | L | 24.1 | Very low | 25.4 | Very low | 151 Ų | 151 | 112.4 Ų | 112.4 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.8 | 164.8 | -77 | 148.7 | 0 | 0 | 0 | 110.2 | I2141 | L2121-I2141 HydrophobicContact CD2-CD1 4.04Š|
| 2122 | P | 23.5 | Very low | 25.8 | Very low | 80 Ų | 80 | 104.9 Ų | 104.9 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 148.8 | 167.6 | -4.3 | 21.7 | 0 | 0 | 0 | 111.2 | I2141 | P2122-I2141 HydrophobicContact CG-CD1 4.35Š|
| 2123 | P | 24.8 | Very low | 26.2 | Very low | 108 Ų | 108 | 101.2 Ų | 101.2 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 128.8 | -169.1 | 27.8 | -34.3 | 0 | 0 | 0 | 114.1 | I2125 | P2123-I2125 PolarHBondContact O-N 3.13Š|
| 2124 | T | 25.6 | Very low | 26.4 | Very low | 72 Ų | 72 | 92.8 Ų | 92.8 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | trans | -42.7 | 115 | 164.4 | -5.8 | 0 | 0 | 0 | 0 | 112.2 | I2137 F2138 D2139 | T2124-I2137 HydrophobicContact CG2-CG2 3.96Å; T2124-F2138 CarbonylContact C-O 3.48Å; T2124-F2138 WeakPolarHBondContact CA-O 3.22Å; T2124-F2138 WeakPolarHBondContact CG2-O 3.11Å; T2124-D2139 HydrophobicContact CG2-CB 3.7Å | ||
| 2125 | I | 24.4 | Very low | 26.6 | Very low | 105 Ų | 105 | 92.2 Ų | 92.2 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116 | 178.9 | -64.9 | 175.7 | 0 | 0 | 0 | 109.1 | P2123 T2127 F2138 | P2123-I2125 PolarHBondContact O-N 3.13Å; I2125-T2127 HydrophobicContact CG2-CG2 4.21Å; I2125-F2138 HydrophobicContact CB-CB 4.43Å; I2125-F2138 PolarHBondContact N-O 3.09Å; I2125-F2138 WeakPolarHBondContact O-CA 3.35Å; I2125-F2138 VanDerWaalsContact O-CB 3.28Å; I2125-F2138 WeakPolarHBondContact O-CB 3.33Å; I2125-F2138 PolarHBondContact O-N 3.33Å |
| 2126 | V | 27.7 | Very low | 26.7 | Very low | 52 Ų | 52 | 90.8 Ų | 90.8 | 32% | 0.315 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.8 | -179.5 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | L2135 Y2136 I2137 | V2126-L2135 HydrophobicContact CG1-CD1 3.95Å; V2126-L2135 HydrophobicContact CG1-CG 4.06Å; V2126-Y2136 CarbonylContact C-O 3.59Å; V2126-Y2136 VanDerWaalsContact C-O 3.27Å; V2126-Y2136 WeakPolarHBondContact CA-O 3.36Å; V2126-Y2136 WeakPolarHBondContact CB-O 3.48Å; V2126-Y2136 WeakPolarHBondContact CG1-O 3.04Å; V2126-I2137 HydrophobicContact CB-CG1 4.22Å; V2126-I2137 HydrophobicContact CG1-CG1 3.64Å; V2126-I2137 HydrophobicContact CG2-CB 4.04Å; V2126-I2137 HydrophobicContact CG2-CG1 3.66Å; V2126-I2137 HydrophobicContact CG2-CG2 3.96Å |
| 2127 | T | 25.9 | Very low | 27.1 | Very low | 71 Ų | 71 | 84 Ų | 84 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.9 | 176.9 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | I2125 Y2136 | I2125-T2127 HydrophobicContact CG2-CG2 4.21Å; T2127-Y2136 PolarHBondContact N-O 3.3Å; T2127-Y2136 WeakPolarHBondContact O-CA 3.3Å; T2127-Y2136 WeakPolarHBondContact O-CB 3.36Å; T2127-Y2136 WeakPolarHBondContact O-CD2 3.45Å; T2127-Y2136 PolarHBondContact O-N 2.96Å |
| 2128 | V | 30.7 | Very low | 27.1 | Very low | 22 Ų | 22 | 84.5 Ų | 84.5 | 13% | 0.133 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129.8 | -176.2 | 172.2 | 0 | 0 | 0 | 0 | 107.5 | V2081 S2130 T2134 L2135 | V2081-V2128 HydrophobicContact CG2-CG1 4.48Å; V2128-S2130 PolarHBondContact O-N 2.98Å; V2128-T2134 VanDerWaalsContact CA-O 3.26Å; V2128-T2134 WeakPolarHBondContact CA-O 3.46Å; V2128-T2134 WeakPolarHBondContact CG1-O 3.48Å; V2128-L2135 HydrophobicContact CG2-CB 3.94Å; V2128-L2135 HydrophobicContact CG2-CD1 3.76Å; V2128-L2135 HydrophobicContact CG2-CG 4.11Å |
| 2129 | D | 27.3 | Very low | 27.4 | Very low | 73 Ų | 73 | 83.2 Ų | 83.2 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | trans | -75.9 | 119.1 | 172.9 | 176.4 | 9.5 | 0 | 0 | 0 | 109.8 | N2131 T2132 G2133 T2134 | D2129-N2131 PolarHBondContact O-N 3.43Å; D2129-N2131 VanDerWaalsContact O-N 3.1Å; D2129-N2131 PolarHBondContact OD1-N 2.7Å; D2129-T2132 PolarHBondContact O-N 2.74Å; D2129-T2132 PolarHBondContact OD2-OG1 3.34Å; D2129-G2133 PolarHBondContact O-N 3.1Å; D2129-G2133 VanDerWaalsContact O-N 3.1Å; D2129-T2134 PolarHBondContact N-O 2.86Å | ||
| 2130 | S | 27.4 | Very low | 27.4 | Very low | 60 Ų | 60 | 80.1 Ų | 80.1 | 42% | 0.42 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.3 | -170.1 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | V2128 | V2128-S2130 PolarHBondContact O-N 2.98Š|
| 2131 | N | 29.4 | Very low | 27.5 | Very low | 80 Ų | 80 | 75.5 Ų | 75.5 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -11.7 | -178.3 | -72.5 | -6.6 | 0 | 0 | 0 | 114.3 | V1439 G1441 D2129 | V1439-N2131 PolarHBondContact O-ND2 3.5Å; G1441-N2131 WeakPolarHBondContact CA-O 3.36Å; D2129-N2131 PolarHBondContact O-N 3.43Å; D2129-N2131 VanDerWaalsContact O-N 3.1Å; D2129-N2131 PolarHBondContact OD1-N 2.7Å |
| 2132 | T | 33.1 | Very low | 27.6 | Very low | 33 Ų | 33 | 70.8 Ų | 70.8 | 20% | 0.202 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -13.1 | -173.7 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | L1442 D2129 T2134 | L1442-T2132 HydrophobicContact CB-CG2 4.19Å; L1442-T2132 WeakPolarHBondContact O-CA 3.44Å; D2129-T2132 PolarHBondContact O-N 2.74Å; D2129-T2132 PolarHBondContact OD2-OG1 3.34Å; T2132-T2134 PolarHBondContact O-N 2.92Å; T2132-T2134 PolarHBondContact OG1-OG1 2.94Å |
| 2133 | G | 31.7 | Very low | 27.7 | Very low | 60 Ų | 60 | 70.1 Ų | 70.1 | 62% | 0.619 | 42% | 0.418 | S | S | * | . | trans | 71.1 | 10.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D2129 | D2129-G2133 PolarHBondContact O-N 3.1Å; D2129-G2133 VanDerWaalsContact O-N 3.1Å | ||
| 2134 | T | 28.8 | Very low | 27.7 | Very low | 66 Ų | 66 | 71.4 Ų | 71.4 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | trans | -78.9 | 130.7 | 172.5 | 24.7 | 0 | 0 | 0 | 0 | 111.8 | V2128 D2129 T2132 | V2128-T2134 VanDerWaalsContact CA-O 3.26Å; V2128-T2134 WeakPolarHBondContact CA-O 3.46Å; V2128-T2134 WeakPolarHBondContact CG1-O 3.48Å; D2129-T2134 PolarHBondContact N-O 2.86Å; T2132-T2134 PolarHBondContact O-N 2.92Å; T2132-T2134 PolarHBondContact OG1-OG1 2.94Å | ||
| 2135 | L | 28.3 | Very low | 27.6 | Very low | 55 Ų | 55 | 79 Ų | 79 | 29% | 0.288 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123 | -171.6 | 177.4 | 117.6 | 0 | 0 | 0 | 110.7 | L1457 L2079 V2126 V2128 I2137 | L1457-L2135 HydrophobicContact CD2-CD2 3.73Å; L2079-L2135 HydrophobicContact CB-CD1 4.21Å; L2079-L2135 HydrophobicContact CD1-CD1 4.07Å; V2126-L2135 HydrophobicContact CG1-CD1 3.95Å; V2126-L2135 HydrophobicContact CG1-CG 4.06Å; V2128-L2135 HydrophobicContact CG2-CB 3.94Å; V2128-L2135 HydrophobicContact CG2-CD1 3.76Å; V2128-L2135 HydrophobicContact CG2-CG 4.11Å; L2135-I2137 HydrophobicContact CD2-CD1 3.52Å; L2135-I2137 HydrophobicContact CD2-CG1 3.68Å; L2135-I2137 HydrophobicContact CG-CD1 4.46Å; L2135-I2137 HydrophobicContact CG-CG1 4.17Å |
| 2136 | Y | 27.2 | Very low | 27.7 | Very low | 99 Ų | 99 | 77.7 Ų | 77.7 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.4 | 170.2 | -59.1 | -79.7 | 0 | 0 | 0 | 107.5 | V2126 T2127 | V2126-Y2136 CarbonylContact C-O 3.59Å; V2126-Y2136 VanDerWaalsContact C-O 3.27Å; V2126-Y2136 WeakPolarHBondContact CA-O 3.36Å; V2126-Y2136 WeakPolarHBondContact CB-O 3.48Å; V2126-Y2136 WeakPolarHBondContact CG1-O 3.04Å; T2127-Y2136 PolarHBondContact N-O 3.3Å; T2127-Y2136 WeakPolarHBondContact O-CA 3.3Å; T2127-Y2136 WeakPolarHBondContact O-CB 3.36Å; T2127-Y2136 WeakPolarHBondContact O-CD2 3.45Å; T2127-Y2136 PolarHBondContact O-N 2.96Å |
| 2137 | I | 30 | Very low | 27.7 | Very low | 72 Ų | 72 | 79.1 Ų | 79.1 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.8 | 169.6 | -65.3 | 171.9 | 0 | 0 | 0 | 107 | L1457 T2124 V2126 L2135 | L1457-I2137 HydrophobicContact CD2-CD1 4.38Å; T2124-I2137 HydrophobicContact CG2-CG2 3.96Å; V2126-I2137 HydrophobicContact CB-CG1 4.22Å; V2126-I2137 HydrophobicContact CG1-CG1 3.64Å; V2126-I2137 HydrophobicContact CG2-CB 4.04Å; V2126-I2137 HydrophobicContact CG2-CG1 3.66Å; V2126-I2137 HydrophobicContact CG2-CG2 3.96Å; L2135-I2137 HydrophobicContact CD2-CD1 3.52Å; L2135-I2137 HydrophobicContact CD2-CG1 3.68Å; L2135-I2137 HydrophobicContact CG-CD1 4.46Å; L2135-I2137 HydrophobicContact CG-CG1 4.17Å |
| 2138 | F | 25.6 | Very low | 27.8 | Very low | 107 Ų | 107 | 79.5 Ų | 79.5 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.6 | 171.7 | -73.6 | -90.9 | 0 | 0 | 0 | 110 | T2124 I2125 | T2124-F2138 CarbonylContact C-O 3.48Å; T2124-F2138 WeakPolarHBondContact CA-O 3.22Å; T2124-F2138 WeakPolarHBondContact CG2-O 3.11Å; I2125-F2138 HydrophobicContact CB-CB 4.43Å; I2125-F2138 PolarHBondContact N-O 3.09Å; I2125-F2138 WeakPolarHBondContact O-CA 3.35Å; I2125-F2138 VanDerWaalsContact O-CB 3.28Å; I2125-F2138 WeakPolarHBondContact O-CB 3.33Å; I2125-F2138 PolarHBondContact O-N 3.33Å |
| 2139 | D | 29.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 82.9 Ų | 82.9 | 52% | 0.524 | 47% | 0.467 | S | S | . | . | trans | -104.2 | 106.4 | 164.3 | -172.4 | -10.1 | 0 | 0 | 0 | 108.3 | T2124 I2141 | T2124-D2139 HydrophobicContact CG2-CB 3.7Å; D2139-I2141 VanDerWaalsContact C-N 3.28Å; D2139-I2141 PolarHBondContact O-N 3.47Å; D2139-I2141 PolarHBondContact OD1-N 3.24Å | ||
| 2140 | P | 25.9 | Very low | 27.7 | Very low | 68 Ų | 68 | 83.5 Ų | 83.5 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -71 | -19.4 | -176.7 | -15.3 | 29.4 | 0 | 0 | 0 | 113.8 | S2143 | P2140-S2143 PolarHBondContact O-N 2.84Å; P2140-S2143 PolarHBondContact O-OG 3.31Å |
| 2141 | I | 26.1 | Very low | 27.7 | Very low | 53 Ų | 53 | 85.1 Ų | 85.1 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -90.3 | -18 | -172.2 | -66.1 | 176.1 | 0 | 0 | 0 | 113 | L2121 P2122 D2139 S2143 L2144 F2145 | L2121-I2141 HydrophobicContact CD2-CD1 4.04Å; P2122-I2141 HydrophobicContact CG-CD1 4.35Å; D2139-I2141 VanDerWaalsContact C-N 3.28Å; D2139-I2141 PolarHBondContact O-N 3.47Å; D2139-I2141 PolarHBondContact OD1-N 3.24Å; I2141-S2143 PolarHBondContact O-N 3.45Å; I2141-L2144 PolarHBondContact O-N 3.49Å; I2141-F2145 HydrophobicContact CG2-CD2 4.22Å; I2141-F2145 HydrophobicContact CG2-CE2 4.41Å; I2141-F2145 PolarHBondContact O-N 3.3Å |
| 2142 | G | 28.1 | Very low | 27.6 | Very low | 53 Ų | 53 | 85.4 Ų | 85.4 | 55% | 0.546 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -65.4 | 0.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2143 | S | 25.4 | Very low | 27.2 | Very low | 65 Ų | 65 | 89.5 Ų | 89.5 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -99.1 | -1.3 | 168 | 76.2 | 0 | 0 | 0 | 0 | 114 | P2140 I2141 | P2140-S2143 PolarHBondContact O-N 2.84Å; P2140-S2143 PolarHBondContact O-OG 3.31Å; I2141-S2143 PolarHBondContact O-N 3.45Å |
| 2144 | L | 24.2 | Very low | 26.8 | Very low | 136 Ų | 136 | 91.9 Ų | 91.9 | 71% | 0.712 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -14.9 | 177.8 | -110.8 | 146 | 0 | 0 | 0 | 113.7 | I2141 | I2141-L2144 PolarHBondContact O-N 3.49Š|
| 2145 | F | 22.5 | Very low | 26.6 | Very low | 231 Ų | 231 | 94.3 Ų | 94.3 | 100% | 1.013 | 50% | 0.498 | S | S | * | . | trans | -117.4 | 0 | 163.9 | -68.2 | -76.6 | 0 | 0 | 0 | 109.8 | I2141 | I2141-F2145 HydrophobicContact CG2-CD2 4.22Å; I2141-F2145 HydrophobicContact CG2-CE2 4.41Å; I2141-F2145 PolarHBondContact O-N 3.3Å |
Retrieved 2,145 of 2,145 residues in 469.9 ms
(Link to these results)