| 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 | 68.9 | Low | 80.6 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 30% | 0.3 | 36% | 0.36 | S | S | . | . | 0 | 146.4 | 0 | -163.5 | -171.9 | -160.9 | 0 | 0 | 110.3 | K5 A6 L9 R63 F68 | M1-K5 HydrophobicContact CE-CB 3.73Å; M1-K5 HydrophobicContact CG-CB 4.16Å; M1-K5 HydrophobicContact SD-CB 4.48Å; M1-A6 HydrophobicContact CG-CB 4.39Å; M1-A6 VanDerWaalsContact SD-CA 3.58Å; M1-A6 HydrophobicContact SD-CB 3.74Å; M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact CE-CG 3.76Å; M1-L9 HydrophobicContact SD-CD1 4.09Å; M1-R63 PolarHBondContact N-O 3.42Å; M1-F68 HydrophobicContact CE-CB 3.56Å; M1-F68 HydrophobicContact CE-CD1 4.35Å; M1-F68 HydrophobicContact CE-CD2 3.14Å; M1-F68 HydrophobicContact CE-CE2 3.81Å; M1-F68 HydrophobicContact CE-CG 3.43Å; M1-F68 VanDerWaalsContact CE-CG 3.43Å | |||
| 2 | D | 79.7 | Confident | 80.7 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | trans | -69.3 | 147.9 | 176 | -56.9 | -58.1 | 0 | 0 | 0 | 112.4 | T4 K5 A6 S65 | D2-T4 VanDerWaalsContact C-N 3.32Å; D2-T4 PolarHBondContact O-N 3.47Å; D2-K5 HydrophobicContact CB-CB 4.36Å; D2-K5 HydrophobicContact CB-CD 4.15Å; D2-K5 HydrophobicContact CB-CG 4.21Å; D2-K5 PolarHBondContact O-N 3.47Å; D2-K5 WeakPolarHBondContact OD2-CD 3.49Å; D2-K5 IonicContact OD2-NZ 2.73Å; D2-A6 WeakPolarHBondContact O-CB 3.42Å; D2-A6 PolarHBondContact O-N 3.08Å; D2-S65 WeakPolarHBondContact OD2-CB 3.19Å; D2-S65 PolarHBondContact OD2-OG 3.27Å; D2-S65 VanDerWaalsContact OD2-OG 3.14Å | ||
| 3 | P | 80.3 | Confident | 80.7 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.1 | -31.6 | -174.8 | 25.1 | -34.4 | 0 | 0 | 0 | 113.5 | H7 | P3-H7 VanDerWaalsContact O-CB 3.28Å; P3-H7 WeakPolarHBondContact O-CB 3.45Å; P3-H7 PolarHBondContact O-N 2.78Å |
| 4 | T | 80 | Confident | 80.7 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.2 | -48.6 | 174.5 | 47.5 | 0 | 0 | 0 | 0 | 111.6 | D2 A6 H7 A8 | D2-T4 VanDerWaalsContact C-N 3.32Å; D2-T4 PolarHBondContact O-N 3.47Å; T4-A6 VanDerWaalsContact C-N 3.34Å; T4-A6 PolarHBondContact O-N 3.3Å; T4-H7 WeakPolarHBondContact O-CB 3.44Å; T4-H7 PolarHBondContact O-N 3.03Å; T4-A8 PolarHBondContact O-N 2.73Å |
| 5 | K | 84.7 | Confident | 80.7 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.1 | -63.4 | 178.7 | 167.1 | 179.9 | 0 | 111.6 | M1 D2 A8 L9 F68 D69 | M1-K5 HydrophobicContact CE-CB 3.73Å; M1-K5 HydrophobicContact CG-CB 4.16Å; M1-K5 HydrophobicContact SD-CB 4.48Å; D2-K5 HydrophobicContact CB-CB 4.36Å; D2-K5 HydrophobicContact CB-CD 4.15Å; D2-K5 HydrophobicContact CB-CG 4.21Å; D2-K5 PolarHBondContact O-N 3.47Å; D2-K5 WeakPolarHBondContact OD2-CD 3.49Å; D2-K5 IonicContact OD2-NZ 2.73Å; K5-A8 PolarHBondContact O-N 3.2Å; K5-L9 PolarHBondContact O-N 2.85Å; K5-F68 HydrophobicContact CB-CD1 3.95Å; K5-F68 HydrophobicContact CB-CE1 3.8Å; K5-F68 HydrophobicContact CB-CE2 4.49Å; K5-F68 HydrophobicContact CB-CG 4.29Å; K5-F68 HydrophobicContact CB-CZ 4.06Å; K5-F68 HydrophobicContact CD-CD1 3.41Å; K5-F68 VanDerWaalsContact CD-CD1 3.41Å; K5-F68 HydrophobicContact CD-CE1 3.72Å; K5-F68 HydrophobicContact CD-CG 4.23Å; K5-F68 HydrophobicContact CG-CD1 3.76Å; K5-F68 HydrophobicContact CG-CE1 3.54Å; K5-F68 HydrophobicContact CG-CZ 4.23Å; K5-D69 WeakPolarHBondContact CE-OD1 3.36Å; K5-D69 IonicContact NZ-OD1 3.27Å; K5-D69 PolarHBondContact NZ-OD1 2.6Å; K5-D69 IonicContact NZ-OD2 3.49Å; K5-D69 PolarHBondContact NZ-OD2 3.43Å |
| 6 | A | 82.7 | Confident | 80.7 | Confident | 33 Ų | 33 | 55 Ų | 55 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.6 | -33.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | M1 D2 T4 R10 | M1-A6 HydrophobicContact CG-CB 4.39Å; M1-A6 VanDerWaalsContact SD-CA 3.58Å; M1-A6 HydrophobicContact SD-CB 3.74Å; D2-A6 WeakPolarHBondContact O-CB 3.42Å; D2-A6 PolarHBondContact O-N 3.08Å; T4-A6 VanDerWaalsContact C-N 3.34Å; T4-A6 PolarHBondContact O-N 3.3Å; A6-R10 WeakPolarHBondContact O-CB 3.34Å; A6-R10 PolarHBondContact O-N 3.47Å; A6-R10 VanDerWaalsContact O-N 3.1Å |
| 7 | H | 80.9 | Confident | 80.9 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 54% | 0.542 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 172.1 | -176.9 | 26.1 | 0 | 0 | 0 | 111.3 | P3 T4 R10 V11 | P3-H7 VanDerWaalsContact O-CB 3.28Å; P3-H7 WeakPolarHBondContact O-CB 3.45Å; P3-H7 PolarHBondContact O-N 2.78Å; T4-H7 WeakPolarHBondContact O-CB 3.44Å; T4-H7 PolarHBondContact O-N 3.03Å; H7-R10 WeakPolarHBondContact O-CB 3.14Å; H7-R10 PolarHBondContact O-N 3.15Å; H7-V11 WeakPolarHBondContact CE1-CG2 3.28Å; H7-V11 WeakPolarHBondContact O-CG2 3.25Å; H7-V11 PolarHBondContact O-N 3.21Å |
| 8 | A | 83.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -49 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T4 K5 R10 V11 C12 I86 H89 I90 | T4-A8 PolarHBondContact O-N 2.73Å; K5-A8 PolarHBondContact O-N 3.2Å; A8-R10 PolarHBondContact O-N 2.7Å; A8-V11 PolarHBondContact O-N 3.28Å; A8-C12 WeakPolarHBondContact O-CB 3.33Å; A8-C12 PolarHBondContact O-N 3.14Å; A8-I86 HydrophobicContact CB-CG2 4.3Å; A8-H89 HydrophobicContact CB-CB 3.98Å; A8-I90 HydrophobicContact CB-CG1 4.25Å |
| 9 | L | 84 | Confident | 80.5 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -27.9 | 173.1 | -75.7 | -168.2 | 0 | 0 | 0 | 113.8 | M1 K5 G13 I16 L57 I60 R61 F68 F71 | M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact CE-CG 3.76Å; M1-L9 HydrophobicContact SD-CD1 4.09Å; K5-L9 PolarHBondContact O-N 2.85Å; L9-G13 WeakPolarHBondContact O-CA 3.4Å; L9-G13 PolarHBondContact O-N 2.89Å; L9-I16 HydrophobicContact CD2-CD1 3.78Å; L9-L57 HydrophobicContact CD1-CD2 4.39Å; L9-L57 HydrophobicContact CD2-CD2 4.08Å; L9-I60 HydrophobicContact CD1-CG2 3.88Å; L9-R61 HydrophobicContact CD1-CG 3.87Å; L9-F68 HydrophobicContact CD1-CD2 3.99Å; L9-F68 HydrophobicContact CD1-CE2 4.32Å; L9-F68 HydrophobicContact CD2-CD2 4.09Å; L9-F68 HydrophobicContact CD2-CE2 3.74Å; L9-F68 HydrophobicContact CG-CD2 3.9Å; L9-F68 HydrophobicContact CG-CE2 3.7Å; L9-F71 HydrophobicContact CD2-CE1 4.06Å |
| 10 | R | 81.4 | Confident | 80.5 | Confident | 192 Ų | 192 | 54 Ų | 54 | 73% | 0.725 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -75.5 | -37.9 | 176.2 | -177 | 176.5 | 177.1 | 173.7 | -0.6 | 112.2 | A6 H7 A8 | A6-R10 WeakPolarHBondContact O-CB 3.34Å; A6-R10 PolarHBondContact O-N 3.47Å; A6-R10 VanDerWaalsContact O-N 3.1Å; H7-R10 WeakPolarHBondContact O-CB 3.14Å; H7-R10 PolarHBondContact O-N 3.15Å; A8-R10 PolarHBondContact O-N 2.7Å |
| 11 | V | 80.6 | Confident | 80.6 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 39% | 0.394 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -75.7 | -49.3 | 178.7 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | H7 A8 G13 P14 | H7-V11 WeakPolarHBondContact CE1-CG2 3.28Å; H7-V11 WeakPolarHBondContact O-CG2 3.25Å; H7-V11 PolarHBondContact O-N 3.21Å; A8-V11 PolarHBondContact O-N 3.28Å; V11-G13 PolarHBondContact O-N 2.86Å; V11-P14 WeakPolarHBondContact O-CD 3.43Å |
| 12 | C | 82.3 | Confident | 81.2 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -73.7 | -4.9 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | A8 M15 I16 I86 H89 | A8-C12 WeakPolarHBondContact O-CB 3.33Å; A8-C12 PolarHBondContact O-N 3.14Å; C12-M15 CarbonylContact O-C 3.6Å; C12-M15 WeakPolarHBondContact O-CA 3.36Å; C12-M15 VanDerWaalsContact O-CB 3.27Å; C12-M15 WeakPolarHBondContact O-CB 3.45Å; C12-M15 PolarHBondContact O-N 3.32Å; C12-I16 HydrophobicContact CB-CD1 3.85Å; C12-I16 HydrophobicContact CB-CG1 4.2Å; C12-I16 VanDerWaalsContact O-CG1 3.3Å; C12-I16 WeakPolarHBondContact O-CG1 3.39Å; C12-I16 PolarHBondContact O-N 3.16Å; C12-I86 HydrophobicContact CB-CG1 4Å; C12-H89 VanDerWaalsContact SG-CD2 3.6Å |
| 13 | G | 80.7 | Confident | 81.3 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -50.5 | -51.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L9 V11 M15 I16 I17 | L9-G13 WeakPolarHBondContact O-CA 3.4Å; L9-G13 PolarHBondContact O-N 2.89Å; V11-G13 PolarHBondContact O-N 2.86Å; G13-M15 VanDerWaalsContact C-N 3.34Å; G13-M15 PolarHBondContact O-N 3.05Å; G13-I16 PolarHBondContact O-N 3.17Å; G13-I17 VanDerWaalsContact O-CG1 3.31Å; G13-I17 WeakPolarHBondContact O-CG1 3.24Å; G13-I17 PolarHBondContact O-N 2.9Å |
| 14 | P | 80.4 | Confident | 81.2 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.6 | -22.6 | 34.3 | 0 | 0 | 0 | 112.7 | V11 I16 I17 Q18 | V11-P14 WeakPolarHBondContact O-CD 3.43Å; P14-I16 PolarHBondContact O-N 3.18Å; P14-I17 PolarHBondContact O-N 3.1Å; P14-Q18 WeakPolarHBondContact O-CB 3.38Å; P14-Q18 VanDerWaalsContact O-CG 3.31Å; P14-Q18 WeakPolarHBondContact O-CG 3.37Å; P14-Q18 PolarHBondContact O-N 3.11Å |
| 15 | M | 80.2 | Confident | 81.4 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 178.5 | -157.5 | -172.6 | -148.2 | 0 | 0 | 111.1 | C12 G13 Q18 S19 F81 L82 E85 | C12-M15 CarbonylContact O-C 3.6Å; C12-M15 WeakPolarHBondContact O-CA 3.36Å; C12-M15 VanDerWaalsContact O-CB 3.27Å; C12-M15 WeakPolarHBondContact O-CB 3.45Å; C12-M15 PolarHBondContact O-N 3.32Å; G13-M15 VanDerWaalsContact C-N 3.34Å; G13-M15 PolarHBondContact O-N 3.05Å; M15-Q18 PolarHBondContact O-N 3.29Å; M15-S19 PolarHBondContact O-N 3.36Å; M15-S19 PolarHBondContact O-OG 3.5Å; M15-F81 HydrophobicContact CE-CD2 4.33Å; M15-F81 HydrophobicContact CE-CE2 3.84Å; M15-F81 HydrophobicContact CG-CE2 4.21Å; M15-F81 HydrophobicContact SD-CE2 4.1Å; M15-L82 HydrophobicContact CB-CD2 4.25Å; M15-L82 HydrophobicContact CG-CD2 3.87Å; M15-L82 HydrophobicContact SD-CD2 4.05Å; M15-E85 HydrophobicContact CE-CG 4.08Å; M15-E85 HydrophobicContact SD-CB 4.13Å; M15-E85 HydrophobicContact SD-CG 3.94Å |
| 16 | I | 81.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -48.6 | 175.6 | -64.3 | 164.1 | 0 | 0 | 0 | 109.9 | L9 C12 G13 P14 Q18 S19 L20 L57 L82 I86 | L9-I16 HydrophobicContact CD2-CD1 3.78Å; C12-I16 HydrophobicContact CB-CD1 3.85Å; C12-I16 HydrophobicContact CB-CG1 4.2Å; C12-I16 VanDerWaalsContact O-CG1 3.3Å; C12-I16 WeakPolarHBondContact O-CG1 3.39Å; C12-I16 PolarHBondContact O-N 3.16Å; G13-I16 PolarHBondContact O-N 3.17Å; P14-I16 PolarHBondContact O-N 3.18Å; I16-Q18 PolarHBondContact O-N 3.19Å; I16-Q18 VanDerWaalsContact O-N 3.17Å; I16-S19 PolarHBondContact O-N 3.28Å; I16-S19 VanDerWaalsContact O-N 3.13Å; I16-L20 HydrophobicContact CG2-CB 3.93Å; I16-L20 HydrophobicContact CG2-CD1 4.17Å; I16-L20 HydrophobicContact CG2-CD2 4.03Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.29Å; I16-L20 PolarHBondContact O-N 2.97Å; I16-L57 HydrophobicContact CB-CD1 4.03Å; I16-L57 HydrophobicContact CD1-CD2 4Å; I16-L57 HydrophobicContact CG2-CD1 3.7Å; I16-L57 HydrophobicContact CG2-CD2 4.06Å; I16-L57 HydrophobicContact CG2-CG 3.91Å; I16-L82 HydrophobicContact CG1-CD1 4.26Å; I16-L82 HydrophobicContact CG1-CD2 3.98Å; I16-I86 HydrophobicContact CD1-CD1 3.93Å; I16-I86 HydrophobicContact CD1-CG1 4.43Å; I16-I86 HydrophobicContact CG1-CD1 4.44Å |
| 17 | I | 83.8 | Confident | 81.4 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.6 | -34 | 178.7 | -70 | 168.6 | 0 | 0 | 0 | 112.3 | G13 P14 Q50 S53 R54 L57 | G13-I17 VanDerWaalsContact O-CG1 3.31Å; G13-I17 WeakPolarHBondContact O-CG1 3.24Å; G13-I17 PolarHBondContact O-N 2.9Å; P14-I17 PolarHBondContact O-N 3.1Å; I17-Q50 HydrophobicContact CG2-CB 3.91Å; I17-Q50 HydrophobicContact CG2-CG 4.21Å; I17-S53 WeakPolarHBondContact CA-OG 3.27Å; I17-S53 PolarHBondContact O-OG 3.31Å; I17-R54 HydrophobicContact CD1-CB 4.17Å; I17-R54 HydrophobicContact CD1-CG 4.34Å; I17-R54 HydrophobicContact CG1-CB 4.24Å; I17-L57 HydrophobicContact CD1-CD1 4.17Å; I17-L57 HydrophobicContact CG1-CD1 3.61Å |
| 18 | Q | 77.5 | Confident | 81.6 | Confident | 104 Ų | 104 | 46.6 Ų | 46.6 | 49% | 0.486 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -82.6 | -18.8 | -179.9 | -72.8 | 174.3 | -9.7 | 0 | 0 | 115 | P14 M15 I16 | P14-Q18 WeakPolarHBondContact O-CB 3.38Å; P14-Q18 VanDerWaalsContact O-CG 3.31Å; P14-Q18 WeakPolarHBondContact O-CG 3.37Å; P14-Q18 PolarHBondContact O-N 3.11Å; M15-Q18 PolarHBondContact O-N 3.29Å; I16-Q18 PolarHBondContact O-N 3.19Å; I16-Q18 VanDerWaalsContact O-N 3.17Å |
| 19 | S | 75.9 | Confident | 81.7 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -145.4 | 7 | -167.1 | 62 | 0 | 0 | 0 | 0 | 116.4 | M15 I16 F81 | M15-S19 PolarHBondContact O-N 3.36Å; M15-S19 PolarHBondContact O-OG 3.5Å; I16-S19 PolarHBondContact O-N 3.28Å; I16-S19 VanDerWaalsContact O-N 3.13Å; S19-F81 VanDerWaalsContact OG-CZ 3.29Å; S19-F81 WeakPolarHBondContact OG-CZ 3.37Å |
| 20 | L | 81.3 | Confident | 81.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | trans | -79.9 | 121.2 | 165.4 | -168.1 | 80.3 | 0 | 0 | 0 | 108.9 | I16 P22 I25 I56 F71 L75 L82 | I16-L20 HydrophobicContact CG2-CB 3.93Å; I16-L20 HydrophobicContact CG2-CD1 4.17Å; I16-L20 HydrophobicContact CG2-CD2 4.03Å; I16-L20 HydrophobicContact CG2-CG 4.29Å; I16-L20 WeakPolarHBondContact O-CB 3.29Å; I16-L20 PolarHBondContact O-N 2.97Å; L20-P22 WeakPolarHBondContact O-CD 3.22Å; L20-I25 HydrophobicContact CD1-CD1 3.35Å; L20-I25 HydrophobicContact CG-CD1 4.07Å; L20-I56 HydrophobicContact CD2-CG2 4.23Å; L20-F71 HydrophobicContact CD1-CE2 3.97Å; L20-F71 HydrophobicContact CD1-CZ 3.96Å; L20-F71 HydrophobicContact CD2-CE2 4.47Å; L20-L75 HydrophobicContact CD1-CD2 3.65Å; L20-L82 HydrophobicContact CB-CD1 4.46Å; L20-L82 HydrophobicContact CD1-CD1 4.27Å | ||
| 21 | D | 82 | Confident | 82.1 | Confident | 90 Ų | 90 | 45.7 Ų | 45.7 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | trans | -73.7 | 117.3 | 157.8 | -162.5 | -49.4 | 0 | 0 | 0 | 107.6 | D23 | D21-D23 VanDerWaalsContact C-N 3.34Å; D21-D23 PolarHBondContact OD1-N 2.91Å | ||
| 22 | P | 81.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -34 | -178.8 | 28.9 | -34.8 | 0 | 0 | 0 | 112.2 | L20 I25 L26 T49 K52 I56 | L20-P22 WeakPolarHBondContact O-CD 3.22Å; P22-I25 PolarHBondContact O-N 3.06Å; P22-L26 WeakPolarHBondContact O-CD1 3.46Å; P22-L26 WeakPolarHBondContact O-CG 3.37Å; P22-L26 PolarHBondContact O-N 3.36Å; P22-T49 HydrophobicContact CG-CG2 4.43Å; P22-K52 HydrophobicContact CB-CB 3.61Å; P22-K52 HydrophobicContact CB-CD 3.96Å; P22-K52 HydrophobicContact CB-CG 4.44Å; P22-K52 HydrophobicContact CG-CB 3.68Å; P22-K52 HydrophobicContact CG-CD 3.45Å; P22-K52 VanDerWaalsContact CG-CD 3.45Å; P22-K52 HydrophobicContact CG-CG 4.22Å; P22-I56 HydrophobicContact CB-CD1 3.52Å |
| 23 | D | 81.9 | Confident | 82.3 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -82.2 | -36.6 | -161.7 | -64.3 | -30.5 | 0 | 0 | 0 | 110.9 | D21 I25 L26 K52 | D21-D23 VanDerWaalsContact C-N 3.34Å; D21-D23 PolarHBondContact OD1-N 2.91Å; D23-I25 VanDerWaalsContact C-N 3.29Å; D23-I25 PolarHBondContact O-N 3.28Å; D23-L26 PolarHBondContact O-N 3.31Å; D23-K52 IonicContact OD1-NZ 2.97Å; D23-K52 PolarHBondContact OD1-NZ 3.36Å; D23-K52 IonicContact OD2-NZ 2.66Å; D23-K52 PolarHBondContact OD2-NZ 3.28Å |
| 24 | A | 78.5 | Confident | 82.5 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -29.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | E78 | A24-E78 VanDerWaalsContact CB-OE2 3.31Å; A24-E78 WeakPolarHBondContact CB-OE2 3.22Å |
| 25 | I | 83.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -92.2 | -21.6 | -175.9 | -69.6 | 168.9 | 0 | 0 | 0 | 112.4 | L20 P22 D23 Y28 L29 F71 A74 L75 E78 | L20-I25 HydrophobicContact CD1-CD1 3.35Å; L20-I25 HydrophobicContact CG-CD1 4.07Å; P22-I25 PolarHBondContact O-N 3.06Å; D23-I25 VanDerWaalsContact C-N 3.29Å; D23-I25 PolarHBondContact O-N 3.28Å; I25-Y28 PolarHBondContact O-N 2.98Å; I25-L29 HydrophobicContact CG2-CD1 3.8Å; I25-L29 HydrophobicContact CG2-CG 4.07Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 3.49Å; I25-L29 VanDerWaalsContact O-N 3.08Å; I25-F71 HydrophobicContact CG2-CD2 4.04Å; I25-F71 HydrophobicContact CG2-CE2 4.1Å; I25-A74 HydrophobicContact CG1-CB 4.45Å; I25-A74 HydrophobicContact CG2-CB 4.05Å; I25-L75 HydrophobicContact CD1-CD2 3.72Å; I25-L75 HydrophobicContact CD1-CG 4.46Å; I25-E78 HydrophobicContact CD1-CG 4.24Å; I25-E78 HydrophobicContact CG1-CG 3.88Å |
| 26 | L | 85.9 | Confident | 83 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 178.2 | -83.7 | 164.7 | 0 | 0 | 0 | 112.1 | P22 D23 Y28 L29 F30 I35 I40 I43 I56 | P22-L26 WeakPolarHBondContact O-CD1 3.46Å; P22-L26 WeakPolarHBondContact O-CG 3.37Å; P22-L26 PolarHBondContact O-N 3.36Å; D23-L26 PolarHBondContact O-N 3.31Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3.27Å; L26-L29 PolarHBondContact O-N 3.18Å; L26-F30 VanDerWaalsContact O-CB 3.27Å; L26-F30 WeakPolarHBondContact O-CB 3.49Å; L26-F30 PolarHBondContact O-N 3.21Å; L26-I35 HydrophobicContact CD2-CD1 3.84Å; L26-I35 HydrophobicContact CD2-CG2 4.47Å; L26-I40 HydrophobicContact CD2-CG1 4.32Å; L26-I43 HydrophobicContact CD1-CG2 4Å; L26-I43 HydrophobicContact CD2-CD1 3.65Å; L26-I56 HydrophobicContact CD1-CD1 4.35Å; L26-I56 HydrophobicContact CD2-CD1 4.25Å; L26-I56 HydrophobicContact CD2-CG1 4.38Å; L26-I56 HydrophobicContact CG-CD1 4.08Å |
| 27 | D | 82.4 | Confident | 83.2 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 179.3 | -74 | -6.4 | 0 | 0 | 0 | 112 | F30 S31 | D27-F30 PolarHBondContact O-N 2.99Å; D27-S31 WeakPolarHBondContact O-CB 3.28Å; D27-S31 PolarHBondContact O-N 2.9Å |
| 28 | Y | 85.2 | Confident | 83.2 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -48.8 | 175.4 | -164.5 | -85 | 0 | 0 | 0 | 111.4 | I25 L26 F30 S31 K32 D70 V73 A74 | I25-Y28 PolarHBondContact O-N 2.98Å; L26-Y28 VanDerWaalsContact C-N 3.34Å; L26-Y28 PolarHBondContact O-N 3.27Å; Y28-F30 VanDerWaalsContact C-N 3.29Å; Y28-F30 PolarHBondContact O-N 3.41Å; Y28-S31 PolarHBondContact O-N 3.34Å; Y28-S31 PolarHBondContact O-OG 3.37Å; Y28-K32 HydrophobicContact CD1-CG 4Å; Y28-K32 HydrophobicContact CE1-CD 4.32Å; Y28-K32 HydrophobicContact CE1-CG 3.71Å; Y28-K32 WeakPolarHBondContact O-CG 3.19Å; Y28-K32 PolarHBondContact O-N 3.07Å; Y28-K32 VanDerWaalsContact O-N 3.11Å; Y28-K32 VanDerWaalsContact OH-CE 3.28Å; Y28-K32 WeakPolarHBondContact OH-CE 3.38Å; Y28-K32 PolarHBondContact OH-NZ 2.66Å; Y28-D70 HydrophobicContact CE1-CB 4.37Å; Y28-V73 HydrophobicContact CE1-CB 4.49Å; Y28-V73 HydrophobicContact CE1-CG1 4.37Å; Y28-V73 WeakPolarHBondContact OH-CG1 3.48Å; Y28-A74 HydrophobicContact CD1-CB 3.72Å; Y28-A74 HydrophobicContact CE1-CB 4.41Å; Y28-A74 HydrophobicContact CG-CB 3.93Å |
| 29 | L | 86.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -27.9 | -179.6 | -67.9 | 178.9 | 0 | 0 | 0 | 113.3 | I25 L26 S33 W34 I35 I56 I60 F71 | I25-L29 HydrophobicContact CG2-CD1 3.8Å; I25-L29 HydrophobicContact CG2-CG 4.07Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 3.49Å; I25-L29 VanDerWaalsContact O-N 3.08Å; L26-L29 PolarHBondContact O-N 3.18Å; L29-S33 PolarHBondContact O-N 3.29Å; L29-W34 PolarHBondContact O-N 3.05Å; L29-I35 HydrophobicContact CB-CD1 3.75Å; L29-I35 HydrophobicContact CB-CG1 4.05Å; L29-I35 HydrophobicContact CD1-CD1 3.69Å; L29-I35 HydrophobicContact CG-CD1 4.39Å; L29-I35 PolarHBondContact O-N 3.34Å; L29-I56 HydrophobicContact CD1-CG2 4.49Å; L29-I60 HydrophobicContact CD1-CD1 4.22Å; L29-F71 HydrophobicContact CD1-CD2 4.23Å; L29-F71 HydrophobicContact CD2-CB 4.24Å |
| 30 | F | 87.5 | Confident | 84 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 41% | 0.408 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -47.2 | 170.7 | -175.7 | -116.9 | 0 | 0 | 0 | 111.3 | L26 D27 Y28 K32 S33 I35 H37 I40 | L26-F30 VanDerWaalsContact O-CB 3.27Å; L26-F30 WeakPolarHBondContact O-CB 3.49Å; L26-F30 PolarHBondContact O-N 3.21Å; D27-F30 PolarHBondContact O-N 2.99Å; Y28-F30 VanDerWaalsContact C-N 3.29Å; Y28-F30 PolarHBondContact O-N 3.41Å; F30-K32 PolarHBondContact O-N 2.81Å; F30-K32 VanDerWaalsContact O-N 3.15Å; F30-S33 WeakPolarHBondContact O-CA 3.49Å; F30-S33 PolarHBondContact O-N 3.22Å; F30-I35 WeakPolarHBondContact CD2-O 3.33Å; F30-H37 HydrophobicContact CE2-CB 4.34Å; F30-I40 HydrophobicContact CB-CD1 3.92Å; F30-I40 HydrophobicContact CD1-CD1 4.46Å; F30-I40 HydrophobicContact CD2-CD1 3.49Å; F30-I40 VanDerWaalsContact CD2-CD1 3.49Å; F30-I40 HydrophobicContact CE2-CD1 4.08Å; F30-I40 HydrophobicContact CG-CD1 3.71Å |
| 31 | S | 85.7 | Confident | 84.1 | Confident | 84 Ų | 84 | 62 Ų | 62 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.9 | -30.6 | 175.9 | 80.5 | 0 | 0 | 0 | 0 | 112.9 | D27 Y28 S33 | D27-S31 WeakPolarHBondContact O-CB 3.28Å; D27-S31 PolarHBondContact O-N 2.9Å; Y28-S31 PolarHBondContact O-N 3.34Å; Y28-S31 PolarHBondContact O-OG 3.37Å; S31-S33 VanDerWaalsContact C-N 3.33Å |
| 32 | K | 84.6 | Confident | 84.2 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 4.2 | 175.4 | -61.5 | -61.5 | 178.5 | 111.3 | 0 | 114.5 | Y28 F30 W34 D70 | Y28-K32 HydrophobicContact CD1-CG 4Å; Y28-K32 HydrophobicContact CE1-CD 4.32Å; Y28-K32 HydrophobicContact CE1-CG 3.71Å; Y28-K32 WeakPolarHBondContact O-CG 3.19Å; Y28-K32 PolarHBondContact O-N 3.07Å; Y28-K32 VanDerWaalsContact O-N 3.11Å; Y28-K32 VanDerWaalsContact OH-CE 3.28Å; Y28-K32 WeakPolarHBondContact OH-CE 3.38Å; Y28-K32 PolarHBondContact OH-NZ 2.66Å; F30-K32 PolarHBondContact O-N 2.81Å; F30-K32 VanDerWaalsContact O-N 3.15Å; K32-W34 VanDerWaalsContact CB-CD1 3.47Å; K32-W34 HydrophobicContact CB-CG 4.42Å; K32-W34 PolarHBondContact O-N 3.27Å; K32-D70 HydrophobicContact CG-CB 4.26Å; K32-D70 IonicContact NZ-OD1 2.79Å; K32-D70 PolarHBondContact NZ-OD1 3.22Å |
| 33 | S | 82.6 | Confident | 84.4 | Confident | 107 Ų | 107 | 62.1 Ų | 62.1 | 75% | 0.748 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 23.5 | -179.3 | -55.4 | 0 | 0 | 0 | 0 | 114.8 | L29 F30 S31 | L29-S33 PolarHBondContact O-N 3.29Å; F30-S33 WeakPolarHBondContact O-CA 3.49Å; F30-S33 PolarHBondContact O-N 3.22Å; S31-S33 VanDerWaalsContact C-N 3.33Å |
| 34 | W | 85.4 | Confident | 84.5 | Confident | 61 Ų | 61 | 61 Ų | 61 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -84.1 | -26 | 177 | -69.2 | 123.4 | 0 | 0 | 0 | 113 | L29 K32 R63 P64 G66 A67 D70 | L29-W34 PolarHBondContact O-N 3.05Å; K32-W34 VanDerWaalsContact CB-CD1 3.47Å; K32-W34 HydrophobicContact CB-CG 4.42Å; K32-W34 PolarHBondContact O-N 3.27Å; W34-R63 VanDerWaalsContact O-CZ 3.3Å; W34-R63 PolarHBondContact O-NE 3.31Å; W34-R63 PolarHBondContact O-NH2 3.37Å; W34-P64 HydrophobicContact CH2-CG 3.87Å; W34-P64 HydrophobicContact CZ3-CG 3.57Å; W34-G66 VanDerWaalsContact CZ2-C 3.49Å; W34-A67 HydrophobicContact CB-CB 4.43Å; W34-A67 HydrophobicContact CD2-CB 3.53Å; W34-A67 HydrophobicContact CE3-CB 3.66Å; W34-A67 HydrophobicContact CG-CB 3.88Å; W34-A67 HydrophobicContact CH2-CB 4.49Å; W34-A67 HydrophobicContact CZ2-CB 4.39Å; W34-A67 HydrophobicContact CZ3-CB 4.15Å; W34-D70 PolarHBondContact NE1-OD2 2.68Å |
| 35 | I | 85.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -121 | 135.7 | 176.5 | -60.8 | -178.7 | 0 | 0 | 0 | 107.9 | L26 L29 F30 E39 I40 | L26-I35 HydrophobicContact CD2-CD1 3.84Å; L26-I35 HydrophobicContact CD2-CG2 4.47Å; L29-I35 HydrophobicContact CB-CD1 3.75Å; L29-I35 HydrophobicContact CB-CG1 4.05Å; L29-I35 HydrophobicContact CD1-CD1 3.69Å; L29-I35 HydrophobicContact CG-CD1 4.39Å; L29-I35 PolarHBondContact O-N 3.34Å; F30-I35 WeakPolarHBondContact CD2-O 3.33Å; I35-E39 HydrophobicContact CG2-CB 3.67Å; I35-I40 HydrophobicContact CG2-CG1 3.78Å |
| 36 | S | 86 | Confident | 84.9 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | trans | -90.9 | 160.5 | 175.5 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | N38 E39 I40 | S36-N38 VanDerWaalsContact C-N 3.3Å; S36-N38 PolarHBondContact O-N 3.35Å; S36-E39 WeakPolarHBondContact CB-OE2 3.19Å; S36-E39 PolarHBondContact N-OE2 3.02Å; S36-E39 WeakPolarHBondContact O-CA 3.35Å; S36-E39 WeakPolarHBondContact O-CB 3.49Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 VanDerWaalsContact OG-CD 3.26Å; S36-E39 WeakPolarHBondContact OG-CG 3.48Å; S36-E39 PolarHBondContact OG-OE2 2.89Å; S36-I40 PolarHBondContact O-N 2.92Å | ||
| 37 | H | 84.6 | Confident | 84.5 | Confident | 117 Ų | 117 | 76.8 Ų | 76.8 | 54% | 0.542 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55.8 | -42.9 | -179 | -167.4 | 67.5 | 0 | 0 | 0 | 112.7 | F30 E39 I40 E41 | F30-H37 HydrophobicContact CE2-CB 4.34Å; H37-E39 VanDerWaalsContact C-N 3.29Å; H37-E39 PolarHBondContact O-N 3.45Å; H37-I40 WeakPolarHBondContact O-CA 3.36Å; H37-I40 WeakPolarHBondContact O-CB 3.41Å; H37-I40 PolarHBondContact O-N 3.07Å; H37-E41 PolarHBondContact O-N 3.02Å |
| 38 | N | 84.1 | Confident | 84.4 | Confident | 109 Ų | 109 | 74.1 Ų | 74.1 | 58% | 0.583 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.6 | -32.8 | 174.6 | -57.8 | 35 | 0 | 0 | 0 | 112.7 | S36 L42 | S36-N38 VanDerWaalsContact C-N 3.3Å; S36-N38 PolarHBondContact O-N 3.35Å; N38-L42 WeakPolarHBondContact O-CB 3.49Å; N38-L42 WeakPolarHBondContact O-CD1 3.42Å; N38-L42 VanDerWaalsContact O-CG 3.23Å; N38-L42 WeakPolarHBondContact O-CG 3.18Å; N38-L42 PolarHBondContact O-N 2.93Å |
| 39 | E | 85.1 | Confident | 84.2 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 15% | 0.15 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72 | -32.1 | 173.9 | -72.9 | 163.1 | 138.3 | 0 | 0 | 111.1 | I35 S36 H37 L42 I43 L59 R63 | I35-E39 HydrophobicContact CG2-CB 3.67Å; S36-E39 WeakPolarHBondContact CB-OE2 3.19Å; S36-E39 PolarHBondContact N-OE2 3.02Å; S36-E39 WeakPolarHBondContact O-CA 3.35Å; S36-E39 WeakPolarHBondContact O-CB 3.49Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 VanDerWaalsContact OG-CD 3.26Å; S36-E39 WeakPolarHBondContact OG-CG 3.48Å; S36-E39 PolarHBondContact OG-OE2 2.89Å; H37-E39 VanDerWaalsContact C-N 3.29Å; H37-E39 PolarHBondContact O-N 3.45Å; E39-L42 PolarHBondContact O-N 2.72Å; E39-I43 VanDerWaalsContact O-CD1 3.25Å; E39-I43 WeakPolarHBondContact O-CD1 3.13Å; E39-I43 WeakPolarHBondContact O-CG1 3.39Å; E39-I43 PolarHBondContact O-N 3.08Å; E39-L59 HydrophobicContact CB-CD1 4.28Å; E39-L59 HydrophobicContact CG-CD2 4.25Å; E39-L59 WeakPolarHBondContact OE1-CD2 3.46Å; E39-R63 IonicContact OE1-CZ 2.66Å; E39-R63 IonicContact OE1-NH1 3.43Å; E39-R63 PolarHBondContact OE1-NH1 2.83Å; E39-R63 IonicContact OE1-NH2 2.72Å; E39-R63 PolarHBondContact OE1-NH2 3.38Å; E39-R63 IonicContact OE2-NH2 3.67Å; E39-R63 PolarHBondContact OE2-NH2 2.78Å |
| 40 | I | 85 | Confident | 84 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 21% | 0.21 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 170.9 | -58.6 | 176.6 | 0 | 0 | 0 | 110.7 | L26 F30 I35 S36 H37 L42 I43 G44 | L26-I40 HydrophobicContact CD2-CG1 4.32Å; F30-I40 HydrophobicContact CB-CD1 3.92Å; F30-I40 HydrophobicContact CD1-CD1 4.46Å; F30-I40 HydrophobicContact CD2-CD1 3.49Å; F30-I40 VanDerWaalsContact CD2-CD1 3.49Å; F30-I40 HydrophobicContact CE2-CD1 4.08Å; F30-I40 HydrophobicContact CG-CD1 3.71Å; I35-I40 HydrophobicContact CG2-CG1 3.78Å; S36-I40 PolarHBondContact O-N 2.92Å; H37-I40 WeakPolarHBondContact O-CA 3.36Å; H37-I40 WeakPolarHBondContact O-CB 3.41Å; H37-I40 PolarHBondContact O-N 3.07Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 2.94Å; I40-I43 CarbonylContact O-C 3.59Å; I40-I43 PolarHBondContact O-N 2.8Å; I40-G44 PolarHBondContact O-N 3.19Å |
| 41 | E | 82.7 | Confident | 83.8 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -56.9 | -45.4 | 174.1 | -68.7 | -169.3 | 130.2 | 0 | 0 | 111.6 | H37 I43 G44 L45 | H37-E41 PolarHBondContact O-N 3.02Å; E41-I43 PolarHBondContact O-N 3.19Å; E41-G44 PolarHBondContact O-N 3.1Å; E41-G44 VanDerWaalsContact O-N 3.14Å; E41-L45 WeakPolarHBondContact O-CG 3.29Å; E41-L45 PolarHBondContact O-N 3.45Å |
| 42 | L | 84.9 | Confident | 83.9 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -27.8 | 176.8 | -75.7 | 168.5 | 0 | 0 | 0 | 113.1 | N38 E39 I40 K55 | N38-L42 WeakPolarHBondContact O-CB 3.49Å; N38-L42 WeakPolarHBondContact O-CD1 3.42Å; N38-L42 VanDerWaalsContact O-CG 3.23Å; N38-L42 WeakPolarHBondContact O-CG 3.18Å; N38-L42 PolarHBondContact O-N 2.93Å; E39-L42 PolarHBondContact O-N 2.72Å; I40-L42 VanDerWaalsContact C-N 3.31Å; I40-L42 PolarHBondContact O-N 2.94Å; L42-K55 VanDerWaalsContact O-CE 3.28Å; L42-K55 WeakPolarHBondContact O-CE 3.35Å; L42-K55 PolarHBondContact O-NZ 2.62Å |
| 43 | I | 86.1 | Confident | 84 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -81.7 | -40.9 | 173.3 | -63.5 | 157.8 | 0 | 0 | 0 | 110.5 | L26 E39 I40 E41 L45 E46 K52 K55 I56 L59 | L26-I43 HydrophobicContact CD1-CG2 4Å; L26-I43 HydrophobicContact CD2-CD1 3.65Å; E39-I43 VanDerWaalsContact O-CD1 3.25Å; E39-I43 WeakPolarHBondContact O-CD1 3.13Å; E39-I43 WeakPolarHBondContact O-CG1 3.39Å; E39-I43 PolarHBondContact O-N 3.08Å; I40-I43 CarbonylContact O-C 3.59Å; I40-I43 PolarHBondContact O-N 2.8Å; E41-I43 PolarHBondContact O-N 3.19Å; I43-L45 PolarHBondContact O-N 3.11Å; I43-E46 WeakPolarHBondContact O-CB 3.43Å; I43-E46 PolarHBondContact O-N 3.15Å; I43-K52 HydrophobicContact CG2-CB 3.86Å; I43-K52 HydrophobicContact CG2-CD 4.38Å; I43-K52 HydrophobicContact CG2-CG 3.9Å; I43-K55 HydrophobicContact CG1-CB 4.33Å; I43-K55 HydrophobicContact CG1-CD 4.33Å; I43-K55 HydrophobicContact CG1-CG 4.27Å; I43-I56 HydrophobicContact CD1-CG1 3.85Å; I43-I56 HydrophobicContact CG1-CG1 4.48Å; I43-I56 HydrophobicContact CG2-CD1 4.34Å; I43-I56 HydrophobicContact CG2-CG1 4.31Å; I43-L59 HydrophobicContact CD1-CD1 3.75Å; I43-L59 HydrophobicContact CG1-CD1 4.32Å |
| 44 | G | 82.8 | Confident | 84.2 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.9 | -28.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | I40 E41 E46 | I40-G44 PolarHBondContact O-N 3.19Å; E41-G44 PolarHBondContact O-N 3.1Å; E41-G44 VanDerWaalsContact O-N 3.14Å; G44-E46 PolarHBondContact O-N 3.49Å |
| 45 | L | 84.3 | Confident | 84.2 | Confident | 131 Ų | 131 | 74.4 Ų | 74.4 | 69% | 0.686 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12 | 173.4 | -73.1 | 170.1 | 0 | 0 | 0 | 114.6 | E41 I43 | E41-L45 WeakPolarHBondContact O-CG 3.29Å; E41-L45 PolarHBondContact O-N 3.45Å; I43-L45 PolarHBondContact O-N 3.11Å |
| 46 | E | 85.7 | Confident | 84.3 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | trans | -81.8 | 124.6 | 178.4 | -69 | -59.5 | 157.3 | 0 | 0 | 112.7 | I43 G44 T48 N51 K52 K55 | I43-E46 WeakPolarHBondContact O-CB 3.43Å; I43-E46 PolarHBondContact O-N 3.15Å; G44-E46 PolarHBondContact O-N 3.49Å; E46-T48 VanDerWaalsContact C-N 3.27Å; E46-T48 PolarHBondContact O-N 3Å; E46-N51 HydrophobicContact CB-CB 3.74Å; E46-N51 HydrophobicContact CG-CB 3.97Å; E46-N51 WeakPolarHBondContact OE2-CB 3.46Å; E46-N51 PolarHBondContact OE2-ND2 3.24Å; E46-K52 HydrophobicContact CB-CG 3.98Å; E46-K55 HydrophobicContact CG-CD 3.64Å; E46-K55 IonicContact OE1-NZ 2.68Å; E46-K55 PolarHBondContact OE1-NZ 2.91Å | ||
| 47 | K | 78 | Confident | 84.4 | Confident | 205 Ų | 205 | 72 Ų | 72 | 89% | 0.891 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -70.7 | -12.4 | -172.5 | -65.2 | -173.5 | 177.5 | -176.3 | 0 | 115.8 | ||
| 48 | T | 81.2 | Confident | 84.5 | Confident | 62 Ų | 62 | 71.3 Ų | 71.3 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -133.5 | 146.1 | -176.1 | 66.3 | 0 | 0 | 0 | 0 | 110.5 | E46 Q50 N51 K52 | E46-T48 VanDerWaalsContact C-N 3.27Å; E46-T48 PolarHBondContact O-N 3Å; T48-Q50 PolarHBondContact O-N 3.24Å; T48-N51 PolarHBondContact O-N 2.92Å; T48-N51 VanDerWaalsContact OG1-CB 3.29Å; T48-N51 WeakPolarHBondContact OG1-CB 3.46Å; T48-N51 VanDerWaalsContact OG1-CG 3.26Å; T48-N51 PolarHBondContact OG1-N 3.43Å; T48-N51 PolarHBondContact OG1-OD1 3.07Å; T48-K52 PolarHBondContact O-N 2.63Å |
| 49 | T | 80.8 | Confident | 84.7 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 53% | 0.534 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.1 | -33.9 | 173.3 | 49.4 | 0 | 0 | 0 | 0 | 112 | P22 K52 S53 | P22-T49 HydrophobicContact CG-CG2 4.43Å; T49-K52 PolarHBondContact O-N 3.42Å; T49-S53 VanDerWaalsContact O-CB 3.32Å; T49-S53 WeakPolarHBondContact O-CB 3.17Å; T49-S53 PolarHBondContact O-N 2.81Å; T49-S53 PolarHBondContact O-OG 2.86Å |
| 50 | Q | 81.3 | Confident | 84.8 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 173.8 | -65.4 | -178.2 | -3.4 | 0 | 0 | 112.9 | I17 T48 S53 R54 | I17-Q50 HydrophobicContact CG2-CB 3.91Å; I17-Q50 HydrophobicContact CG2-CG 4.21Å; T48-Q50 PolarHBondContact O-N 3.24Å; Q50-S53 WeakPolarHBondContact CA-OG 3.39Å; Q50-S53 PolarHBondContact O-OG 2.79Å; Q50-R54 WeakPolarHBondContact O-CB 3.34Å; Q50-R54 PolarHBondContact O-N 3.17Å; Q50-R54 VanDerWaalsContact O-N 3.1Å |
| 51 | N | 84.8 | Confident | 84.8 | Confident | 73 Ų | 73 | 71 Ų | 71 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73 | -44.5 | 172.6 | -79.6 | 24.6 | 0 | 0 | 0 | 111.3 | E46 T48 S53 R54 K55 | E46-N51 HydrophobicContact CB-CB 3.74Å; E46-N51 HydrophobicContact CG-CB 3.97Å; E46-N51 WeakPolarHBondContact OE2-CB 3.46Å; E46-N51 PolarHBondContact OE2-ND2 3.24Å; T48-N51 PolarHBondContact O-N 2.92Å; T48-N51 VanDerWaalsContact OG1-CB 3.29Å; T48-N51 WeakPolarHBondContact OG1-CB 3.46Å; T48-N51 VanDerWaalsContact OG1-CG 3.26Å; T48-N51 PolarHBondContact OG1-N 3.43Å; T48-N51 PolarHBondContact OG1-OD1 3.07Å; N51-S53 PolarHBondContact O-N 2.82Å; N51-R54 PolarHBondContact O-N 2.92Å; N51-K55 WeakPolarHBondContact O-CB 3.4Å; N51-K55 PolarHBondContact O-N 2.96Å |
| 52 | K | 87.1 | Confident | 84.9 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.8 | -54.8 | 175.1 | -73.8 | -171.1 | 170 | -166.8 | 0 | 111.3 | P22 D23 I43 E46 T48 T49 R54 K55 I56 | P22-K52 HydrophobicContact CB-CB 3.61Å; P22-K52 HydrophobicContact CB-CD 3.96Å; P22-K52 HydrophobicContact CB-CG 4.44Å; P22-K52 HydrophobicContact CG-CB 3.68Å; P22-K52 HydrophobicContact CG-CD 3.45Å; P22-K52 VanDerWaalsContact CG-CD 3.45Å; P22-K52 HydrophobicContact CG-CG 4.22Å; D23-K52 IonicContact OD1-NZ 2.97Å; D23-K52 PolarHBondContact OD1-NZ 3.36Å; D23-K52 IonicContact OD2-NZ 2.66Å; D23-K52 PolarHBondContact OD2-NZ 3.28Å; I43-K52 HydrophobicContact CG2-CB 3.86Å; I43-K52 HydrophobicContact CG2-CD 4.38Å; I43-K52 HydrophobicContact CG2-CG 3.9Å; E46-K52 HydrophobicContact CB-CG 3.98Å; T48-K52 PolarHBondContact O-N 2.63Å; T49-K52 PolarHBondContact O-N 3.42Å; K52-R54 PolarHBondContact O-N 2.68Å; K52-K55 WeakPolarHBondContact O-CB 3.5Å; K52-K55 PolarHBondContact O-N 2.86Å; K52-K55 VanDerWaalsContact O-N 3.12Å; K52-I56 WeakPolarHBondContact O-CG1 3.46Å; K52-I56 PolarHBondContact O-N 2.84Å |
| 53 | S | 85.9 | Confident | 85 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | -179.5 | 58.1 | 0 | 0 | 0 | 0 | 113 | I17 T49 Q50 N51 I56 L57 | I17-S53 WeakPolarHBondContact CA-OG 3.27Å; I17-S53 PolarHBondContact O-OG 3.31Å; T49-S53 VanDerWaalsContact O-CB 3.32Å; T49-S53 WeakPolarHBondContact O-CB 3.17Å; T49-S53 PolarHBondContact O-N 2.81Å; T49-S53 PolarHBondContact O-OG 2.86Å; Q50-S53 WeakPolarHBondContact CA-OG 3.39Å; Q50-S53 PolarHBondContact O-OG 2.79Å; N51-S53 PolarHBondContact O-N 2.82Å; S53-I56 PolarHBondContact O-N 2.61Å; S53-L57 WeakPolarHBondContact O-CB 3.49Å; S53-L57 PolarHBondContact O-N 3.04Å |
| 54 | R | 87.5 | Confident | 85.1 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 170.7 | 178.7 | 177.1 | -178.2 | 150.2 | 1.2 | 112.3 | I17 Q50 N51 K52 L57 E58 | I17-R54 HydrophobicContact CD1-CB 4.17Å; I17-R54 HydrophobicContact CD1-CG 4.34Å; I17-R54 HydrophobicContact CG1-CB 4.24Å; Q50-R54 WeakPolarHBondContact O-CB 3.34Å; Q50-R54 PolarHBondContact O-N 3.17Å; Q50-R54 VanDerWaalsContact O-N 3.1Å; N51-R54 PolarHBondContact O-N 2.92Å; K52-R54 PolarHBondContact O-N 2.68Å; R54-L57 WeakPolarHBondContact O-CB 3.39Å; R54-L57 PolarHBondContact O-N 3.23Å; R54-E58 WeakPolarHBondContact CG-OE1 3.49Å; R54-E58 IonicContact CZ-OE1 3.6Å; R54-E58 IonicContact NE-OE1 3.38Å; R54-E58 PolarHBondContact NE-OE1 3.41Å; R54-E58 IonicContact NH2-OE1 3.22Å; R54-E58 WeakPolarHBondContact O-CG 3.42Å; R54-E58 PolarHBondContact O-N 3.08Å |
| 55 | K | 85.5 | Confident | 85.1 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 178.9 | -151.7 | 163.3 | -169 | 170.4 | 0 | 111.4 | L42 I43 E46 N51 K52 E58 L59 | L42-K55 VanDerWaalsContact O-CE 3.28Å; L42-K55 WeakPolarHBondContact O-CE 3.35Å; L42-K55 PolarHBondContact O-NZ 2.62Å; I43-K55 HydrophobicContact CG1-CB 4.33Å; I43-K55 HydrophobicContact CG1-CD 4.33Å; I43-K55 HydrophobicContact CG1-CG 4.27Å; E46-K55 HydrophobicContact CG-CD 3.64Å; E46-K55 IonicContact OE1-NZ 2.68Å; E46-K55 PolarHBondContact OE1-NZ 2.91Å; N51-K55 WeakPolarHBondContact O-CB 3.4Å; N51-K55 PolarHBondContact O-N 2.96Å; K52-K55 WeakPolarHBondContact O-CB 3.5Å; K52-K55 PolarHBondContact O-N 2.86Å; K52-K55 VanDerWaalsContact O-N 3.12Å; K55-E58 PolarHBondContact O-N 2.63Å; K55-L59 WeakPolarHBondContact O-CG 3.21Å; K55-L59 PolarHBondContact O-N 3.09Å |
| 56 | I | 87.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 169.7 | -69.6 | 166.9 | 0 | 0 | 0 | 111.1 | L20 P22 L26 L29 I43 K52 S53 E58 L59 I60 | L20-I56 HydrophobicContact CD2-CG2 4.23Å; P22-I56 HydrophobicContact CB-CD1 3.52Å; L26-I56 HydrophobicContact CD1-CD1 4.35Å; L26-I56 HydrophobicContact CD2-CD1 4.25Å; L26-I56 HydrophobicContact CD2-CG1 4.38Å; L26-I56 HydrophobicContact CG-CD1 4.08Å; L29-I56 HydrophobicContact CD1-CG2 4.49Å; I43-I56 HydrophobicContact CD1-CG1 3.85Å; I43-I56 HydrophobicContact CG1-CG1 4.48Å; I43-I56 HydrophobicContact CG2-CD1 4.34Å; I43-I56 HydrophobicContact CG2-CG1 4.31Å; K52-I56 WeakPolarHBondContact O-CG1 3.46Å; K52-I56 PolarHBondContact O-N 2.84Å; S53-I56 PolarHBondContact O-N 2.61Å; I56-E58 PolarHBondContact O-N 3.47Å; I56-L59 PolarHBondContact O-N 3.31Å; I56-I60 HydrophobicContact CG2-CD1 3.56Å; I56-I60 HydrophobicContact CG2-CG1 4.37Å; I56-I60 VanDerWaalsContact O-CG1 3.29Å; I56-I60 WeakPolarHBondContact O-CG1 3.45Å; I56-I60 PolarHBondContact O-N 3Å |
| 57 | L | 88.3 | Confident | 85.2 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.3 | -87.4 | 166.4 | 0 | 0 | 0 | 113.3 | L9 I16 I17 S53 R54 R61 | L9-L57 HydrophobicContact CD1-CD2 4.39Å; L9-L57 HydrophobicContact CD2-CD2 4.08Å; I16-L57 HydrophobicContact CB-CD1 4.03Å; I16-L57 HydrophobicContact CD1-CD2 4Å; I16-L57 HydrophobicContact CG2-CD1 3.7Å; I16-L57 HydrophobicContact CG2-CD2 4.06Å; I16-L57 HydrophobicContact CG2-CG 3.91Å; I17-L57 HydrophobicContact CD1-CD1 4.17Å; I17-L57 HydrophobicContact CG1-CD1 3.61Å; S53-L57 WeakPolarHBondContact O-CB 3.49Å; S53-L57 PolarHBondContact O-N 3.04Å; R54-L57 WeakPolarHBondContact O-CB 3.39Å; R54-L57 PolarHBondContact O-N 3.23Å; L57-R61 WeakPolarHBondContact O-CB 3.27Å; L57-R61 WeakPolarHBondContact O-CD 3.41Å; L57-R61 WeakPolarHBondContact O-CG 3.29Å; L57-R61 PolarHBondContact O-N 3.04Å |
| 58 | E | 86 | Confident | 85.8 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 177.8 | -73.5 | 172.7 | -167.5 | 0 | 0 | 110.8 | R54 K55 I56 S62 | R54-E58 WeakPolarHBondContact CG-OE1 3.49Å; R54-E58 IonicContact CZ-OE1 3.6Å; R54-E58 IonicContact NE-OE1 3.38Å; R54-E58 PolarHBondContact NE-OE1 3.41Å; R54-E58 IonicContact NH2-OE1 3.22Å; R54-E58 WeakPolarHBondContact O-CG 3.42Å; R54-E58 PolarHBondContact O-N 3.08Å; K55-E58 PolarHBondContact O-N 2.63Å; I56-E58 PolarHBondContact O-N 3.47Å; E58-S62 PolarHBondContact O-N 3.43Å |
| 59 | L | 87.5 | Confident | 86.1 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -53.7 | 171.6 | -73.3 | 168.8 | 0 | 0 | 0 | 112.5 | E39 I43 K55 I56 R61 S62 | E39-L59 HydrophobicContact CB-CD1 4.28Å; E39-L59 HydrophobicContact CG-CD2 4.25Å; E39-L59 WeakPolarHBondContact OE1-CD2 3.46Å; I43-L59 HydrophobicContact CD1-CD1 3.75Å; I43-L59 HydrophobicContact CG1-CD1 4.32Å; K55-L59 WeakPolarHBondContact O-CG 3.21Å; K55-L59 PolarHBondContact O-N 3.09Å; I56-L59 PolarHBondContact O-N 3.31Å; L59-R61 VanDerWaalsContact C-N 3.25Å; L59-R61 PolarHBondContact O-N 2.9Å; L59-S62 WeakPolarHBondContact O-CA 3.47Å; L59-S62 WeakPolarHBondContact O-CB 3.47Å; L59-S62 PolarHBondContact O-N 3.07Å; L59-S62 PolarHBondContact O-OG 3Å |
| 60 | I | 87.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -39.2 | -178.9 | -67.4 | 162.6 | 0 | 0 | 0 | 111.1 | L9 L29 I56 S62 R63 F71 | L9-I60 HydrophobicContact CD1-CG2 3.88Å; L29-I60 HydrophobicContact CD1-CD1 4.22Å; I56-I60 HydrophobicContact CG2-CD1 3.56Å; I56-I60 HydrophobicContact CG2-CG1 4.37Å; I56-I60 VanDerWaalsContact O-CG1 3.29Å; I56-I60 WeakPolarHBondContact O-CG1 3.45Å; I56-I60 PolarHBondContact O-N 3Å; I60-S62 PolarHBondContact O-N 3.3Å; I60-R63 PolarHBondContact O-N 2.93Å; I60-R63 VanDerWaalsContact O-N 3.11Å; I60-F71 HydrophobicContact CD1-CB 4.21Å; I60-F71 HydrophobicContact CD1-CD1 4.04Å; I60-F71 HydrophobicContact CD1-CD2 3.44Å; I60-F71 VanDerWaalsContact CD1-CD2 3.44Å; I60-F71 HydrophobicContact CD1-CE1 4.22Å; I60-F71 HydrophobicContact CD1-CE2 3.64Å; I60-F71 HydrophobicContact CD1-CG 3.64Å; I60-F71 HydrophobicContact CD1-CZ 4.03Å |
| 61 | R | 85 | Confident | 86.9 | Confident | 136 Ų | 136 | 46.2 Ų | 46.2 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66 | -18.9 | 176.9 | -73.3 | 172.9 | 65.1 | -162.4 | -4.4 | 113.9 | L9 L57 L59 | L9-R61 HydrophobicContact CD1-CG 3.87Å; L57-R61 WeakPolarHBondContact O-CB 3.27Å; L57-R61 WeakPolarHBondContact O-CD 3.41Å; L57-R61 WeakPolarHBondContact O-CG 3.29Å; L57-R61 PolarHBondContact O-N 3.04Å; L59-R61 VanDerWaalsContact C-N 3.25Å; L59-R61 PolarHBondContact O-N 2.9Å |
| 62 | S | 84.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 43.4 Ų | 43.4 | 56% | 0.559 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -81.7 | -19.2 | 173.4 | 79.9 | 0 | 0 | 0 | 0 | 114 | E58 L59 I60 | E58-S62 PolarHBondContact O-N 3.43Å; L59-S62 WeakPolarHBondContact O-CA 3.47Å; L59-S62 WeakPolarHBondContact O-CB 3.47Å; L59-S62 PolarHBondContact O-N 3.07Å; L59-S62 PolarHBondContact O-OG 3Å; I60-S62 PolarHBondContact O-N 3.3Å |
| 63 | R | 86.3 | Confident | 87.1 | Confident | 64 Ų | 64 | 44.9 Ų | 44.9 | 24% | 0.242 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -89.7 | 165.7 | -169.9 | -64.9 | -56.8 | -159.3 | -114.2 | 3.5 | 113.1 | M1 W34 E39 I60 A67 | M1-R63 PolarHBondContact N-O 3.42Å; W34-R63 VanDerWaalsContact O-CZ 3.3Å; W34-R63 PolarHBondContact O-NE 3.31Å; W34-R63 PolarHBondContact O-NH2 3.37Å; E39-R63 IonicContact OE1-CZ 2.66Å; E39-R63 IonicContact OE1-NH1 3.43Å; E39-R63 PolarHBondContact OE1-NH1 2.83Å; E39-R63 IonicContact OE1-NH2 2.72Å; E39-R63 PolarHBondContact OE1-NH2 3.38Å; E39-R63 IonicContact OE2-NH2 3.67Å; E39-R63 PolarHBondContact OE2-NH2 2.78Å; I60-R63 PolarHBondContact O-N 2.93Å; I60-R63 VanDerWaalsContact O-N 3.11Å; R63-A67 HydrophobicContact CB-CB 3.44Å; R63-A67 VanDerWaalsContact CB-CB 3.44Å; R63-A67 HydrophobicContact CG-CB 4.13Å |
| 64 | P | 88.6 | Confident | 87.1 | Confident | 75 Ų | 75 | 45 Ų | 45 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | trans | -65.1 | 169.4 | 170.8 | 28.4 | -37.7 | 0 | 0 | 0 | 112.3 | W34 G66 A67 | W34-P64 HydrophobicContact CH2-CG 3.87Å; W34-P64 HydrophobicContact CZ3-CG 3.57Å; P64-G66 PolarHBondContact O-N 3.35Å; P64-A67 PolarHBondContact O-N 3.43Å; P64-A67 VanDerWaalsContact O-N 3.16Å | ||
| 65 | S | 84.3 | Confident | 87.1 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -27.7 | -173.6 | -3.5 | 0 | 0 | 0 | 0 | 114.5 | D2 A67 F68 D69 | D2-S65 WeakPolarHBondContact OD2-CB 3.19Å; D2-S65 PolarHBondContact OD2-OG 3.27Å; D2-S65 VanDerWaalsContact OD2-OG 3.14Å; S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 2.9Å; S65-F68 WeakPolarHBondContact O-CB 3.38Å; S65-F68 PolarHBondContact O-N 3.04Å; S65-F68 VanDerWaalsContact O-N 3.1Å; S65-D69 PolarHBondContact O-N 3.17Å; S65-D69 VanDerWaalsContact O-OD2 3.09Å |
| 66 | G | 85 | Confident | 87 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.7 | -35.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | W34 P64 F68 D69 D70 | W34-G66 VanDerWaalsContact CZ2-C 3.49Å; P64-G66 PolarHBondContact O-N 3.35Å; G66-F68 PolarHBondContact O-N 3.31Å; G66-D69 PolarHBondContact O-N 3.09Å; G66-D70 PolarHBondContact O-N 2.72Å |
| 67 | A | 87.2 | Confident | 86.6 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -28.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W34 R63 P64 S65 F71 | W34-A67 HydrophobicContact CB-CB 4.43Å; W34-A67 HydrophobicContact CD2-CB 3.53Å; W34-A67 HydrophobicContact CE3-CB 3.66Å; W34-A67 HydrophobicContact CG-CB 3.88Å; W34-A67 HydrophobicContact CH2-CB 4.49Å; W34-A67 HydrophobicContact CZ2-CB 4.39Å; W34-A67 HydrophobicContact CZ3-CB 4.15Å; R63-A67 HydrophobicContact CB-CB 3.44Å; R63-A67 VanDerWaalsContact CB-CB 3.44Å; R63-A67 HydrophobicContact CG-CB 4.13Å; P64-A67 PolarHBondContact O-N 3.43Å; P64-A67 VanDerWaalsContact O-N 3.16Å; S65-A67 VanDerWaalsContact C-N 3.29Å; S65-A67 PolarHBondContact O-N 2.9Å; A67-F71 WeakPolarHBondContact O-CB 3.4Å; A67-F71 PolarHBondContact O-N 3.16Å; A67-F71 VanDerWaalsContact O-N 3.08Å |
| 68 | F | 89.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.7 | -33.2 | 172.7 | 173.1 | -95.7 | 0 | 0 | 0 | 112.2 | M1 K5 L9 S65 G66 F71 L72 I86 I90 | M1-F68 HydrophobicContact CE-CB 3.56Å; M1-F68 HydrophobicContact CE-CD1 4.35Å; M1-F68 HydrophobicContact CE-CD2 3.14Å; M1-F68 HydrophobicContact CE-CE2 3.81Å; M1-F68 HydrophobicContact CE-CG 3.43Å; M1-F68 VanDerWaalsContact CE-CG 3.43Å; K5-F68 HydrophobicContact CB-CD1 3.95Å; K5-F68 HydrophobicContact CB-CE1 3.8Å; K5-F68 HydrophobicContact CB-CE2 4.49Å; K5-F68 HydrophobicContact CB-CG 4.29Å; K5-F68 HydrophobicContact CB-CZ 4.06Å; K5-F68 HydrophobicContact CD-CD1 3.41Å; K5-F68 VanDerWaalsContact CD-CD1 3.41Å; K5-F68 HydrophobicContact CD-CE1 3.72Å; K5-F68 HydrophobicContact CD-CG 4.23Å; K5-F68 HydrophobicContact CG-CD1 3.76Å; K5-F68 HydrophobicContact CG-CE1 3.54Å; K5-F68 HydrophobicContact CG-CZ 4.23Å; L9-F68 HydrophobicContact CD1-CD2 3.99Å; L9-F68 HydrophobicContact CD1-CE2 4.32Å; L9-F68 HydrophobicContact CD2-CD2 4.09Å; L9-F68 HydrophobicContact CD2-CE2 3.74Å; L9-F68 HydrophobicContact CG-CD2 3.9Å; L9-F68 HydrophobicContact CG-CE2 3.7Å; S65-F68 WeakPolarHBondContact O-CB 3.38Å; S65-F68 PolarHBondContact O-N 3.04Å; S65-F68 VanDerWaalsContact O-N 3.1Å; G66-F68 PolarHBondContact O-N 3.31Å; F68-F71 PolarHBondContact O-N 3.45Å; F68-L72 HydrophobicContact CD1-CD1 3.98Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CG 4.14Å; F68-L72 HydrophobicContact CZ-CD1 3.75Å; F68-L72 HydrophobicContact CZ-CG 4.18Å; F68-L72 PolarHBondContact O-N 3.18Å; F68-I86 HydrophobicContact CE2-CG2 3.9Å; F68-I86 HydrophobicContact CZ-CG2 3.53Å; F68-I90 HydrophobicContact CE1-CD1 3.87Å; F68-I90 HydrophobicContact CZ-CD1 3.9Å |
| 69 | D | 88.3 | Confident | 84.7 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.2 | -42.4 | 178.4 | -60.2 | -40.7 | 0 | 0 | 0 | 110.5 | K5 S65 G66 L72 V73 | K5-D69 WeakPolarHBondContact CE-OD1 3.36Å; K5-D69 IonicContact NZ-OD1 3.27Å; K5-D69 PolarHBondContact NZ-OD1 2.6Å; K5-D69 IonicContact NZ-OD2 3.49Å; K5-D69 PolarHBondContact NZ-OD2 3.43Å; S65-D69 PolarHBondContact O-N 3.17Å; S65-D69 VanDerWaalsContact O-OD2 3.09Å; G66-D69 PolarHBondContact O-N 3.09Å; D69-L72 PolarHBondContact O-N 2.94Å; D69-V73 WeakPolarHBondContact O-CG2 3.42Å; D69-V73 PolarHBondContact O-N 3Å |
| 70 | D | 88.2 | Confident | 83.7 | Confident | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 169.4 | -83.1 | -57.1 | 0 | 0 | 0 | 112.9 | Y28 K32 W34 G66 V73 A74 | Y28-D70 HydrophobicContact CE1-CB 4.37Å; K32-D70 HydrophobicContact CG-CB 4.26Å; K32-D70 IonicContact NZ-OD1 2.79Å; K32-D70 PolarHBondContact NZ-OD1 3.22Å; W34-D70 PolarHBondContact NE1-OD2 2.68Å; G66-D70 PolarHBondContact O-N 2.72Å; D70-V73 PolarHBondContact O-N 3.26Å; D70-A74 PolarHBondContact O-N 3.3Å |
| 71 | F | 90.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 172 | 175 | -114.3 | 0 | 0 | 0 | 112.6 | L9 L20 I25 L29 I60 A67 F68 V73 A74 L75 | L9-F71 HydrophobicContact CD2-CE1 4.06Å; L20-F71 HydrophobicContact CD1-CE2 3.97Å; L20-F71 HydrophobicContact CD1-CZ 3.96Å; L20-F71 HydrophobicContact CD2-CE2 4.47Å; I25-F71 HydrophobicContact CG2-CD2 4.04Å; I25-F71 HydrophobicContact CG2-CE2 4.1Å; L29-F71 HydrophobicContact CD1-CD2 4.23Å; L29-F71 HydrophobicContact CD2-CB 4.24Å; I60-F71 HydrophobicContact CD1-CB 4.21Å; I60-F71 HydrophobicContact CD1-CD1 4.04Å; I60-F71 HydrophobicContact CD1-CD2 3.44Å; I60-F71 VanDerWaalsContact CD1-CD2 3.44Å; I60-F71 HydrophobicContact CD1-CE1 4.22Å; I60-F71 HydrophobicContact CD1-CE2 3.64Å; I60-F71 HydrophobicContact CD1-CG 3.64Å; I60-F71 HydrophobicContact CD1-CZ 4.03Å; A67-F71 WeakPolarHBondContact O-CB 3.4Å; A67-F71 PolarHBondContact O-N 3.16Å; A67-F71 VanDerWaalsContact O-N 3.08Å; F68-F71 PolarHBondContact O-N 3.45Å; F71-V73 VanDerWaalsContact C-N 3.34Å; F71-A74 PolarHBondContact O-N 3.15Å; F71-L75 HydrophobicContact CD1-CD1 4.07Å; F71-L75 HydrophobicContact CE1-CD1 3.64Å; F71-L75 HydrophobicContact CE1-CG 4.46Å; F71-L75 HydrophobicContact CE2-CD1 4.34Å; F71-L75 HydrophobicContact CE2-CG 4.34Å; F71-L75 HydrophobicContact CZ-CD1 3.8Å; F71-L75 HydrophobicContact CZ-CG 4.25Å; F71-L75 WeakPolarHBondContact O-CG 3.37Å; F71-L75 PolarHBondContact O-N 3.19Å |
| 72 | L | 88.3 | Confident | 83.2 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 171 | -88 | 174.6 | 0 | 0 | 0 | 111.9 | F68 D69 L75 D76 A83 I86 I90 | F68-L72 HydrophobicContact CD1-CD1 3.98Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CG 4.14Å; F68-L72 HydrophobicContact CZ-CD1 3.75Å; F68-L72 HydrophobicContact CZ-CG 4.18Å; F68-L72 PolarHBondContact O-N 3.18Å; D69-L72 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 2.93Å; L72-D76 PolarHBondContact O-N 3.22Å; L72-A83 HydrophobicContact CD2-CB 4.37Å; L72-I86 HydrophobicContact CD2-CB 4.16Å; L72-I86 HydrophobicContact CD2-CD1 4.45Å; L72-I86 HydrophobicContact CD2-CG2 3.88Å; L72-I90 HydrophobicContact CD1-CD1 4.27Å |
| 73 | V | 87.2 | Confident | 83.1 | Confident | 65 Ų | 65 | 38.2 Ų | 38.2 | 39% | 0.394 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.9 | -38.8 | 174.3 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | Y28 D69 D70 F71 D76 S77 | Y28-V73 HydrophobicContact CE1-CB 4.49Å; Y28-V73 HydrophobicContact CE1-CG1 4.37Å; Y28-V73 WeakPolarHBondContact OH-CG1 3.48Å; D69-V73 WeakPolarHBondContact O-CG2 3.42Å; D69-V73 PolarHBondContact O-N 3Å; D70-V73 PolarHBondContact O-N 3.26Å; F71-V73 VanDerWaalsContact C-N 3.34Å; V73-D76 WeakPolarHBondContact O-CB 3.49Å; V73-D76 PolarHBondContact O-N 3.22Å; V73-S77 PolarHBondContact O-N 3.36Å; V73-S77 PolarHBondContact O-OG 2.93Å |
| 74 | A | 86.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | I25 Y28 D70 F71 D76 S77 E78 | I25-A74 HydrophobicContact CG1-CB 4.45Å; I25-A74 HydrophobicContact CG2-CB 4.05Å; Y28-A74 HydrophobicContact CD1-CB 3.72Å; Y28-A74 HydrophobicContact CE1-CB 4.41Å; Y28-A74 HydrophobicContact CG-CB 3.93Å; D70-A74 PolarHBondContact O-N 3.3Å; F71-A74 PolarHBondContact O-N 3.15Å; A74-D76 VanDerWaalsContact C-N 3.31Å; A74-D76 PolarHBondContact O-N 2.94Å; A74-S77 WeakPolarHBondContact CA-OG 3.42Å; A74-S77 PolarHBondContact O-N 3.39Å; A74-S77 PolarHBondContact O-OG 3.38Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 2.86Å |
| 75 | L | 87.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -31.5 | 175.1 | -71.8 | 172.1 | 0 | 0 | 0 | 113.2 | L20 I25 F71 L72 G79 S80 L82 A83 I86 | L20-L75 HydrophobicContact CD1-CD2 3.65Å; I25-L75 HydrophobicContact CD1-CD2 3.72Å; I25-L75 HydrophobicContact CD1-CG 4.46Å; F71-L75 HydrophobicContact CD1-CD1 4.07Å; F71-L75 HydrophobicContact CE1-CD1 3.64Å; F71-L75 HydrophobicContact CE1-CG 4.46Å; F71-L75 HydrophobicContact CE2-CD1 4.34Å; F71-L75 HydrophobicContact CE2-CG 4.34Å; F71-L75 HydrophobicContact CZ-CD1 3.8Å; F71-L75 HydrophobicContact CZ-CG 4.25Å; F71-L75 WeakPolarHBondContact O-CG 3.37Å; F71-L75 PolarHBondContact O-N 3.19Å; L72-L75 PolarHBondContact O-N 2.93Å; L75-G79 PolarHBondContact O-N 3.26Å; L75-S80 WeakPolarHBondContact O-CB 3.5Å; L75-S80 PolarHBondContact O-N 2.87Å; L75-L82 HydrophobicContact CD1-CB 4.24Å; L75-L82 HydrophobicContact CD2-CB 4.17Å; L75-L82 HydrophobicContact CD2-CD1 4.19Å; L75-A83 HydrophobicContact CB-CB 3.87Å; L75-I86 HydrophobicContact CD1-CD1 3.71Å |
| 76 | D | 83.5 | Confident | 82.2 | Confident | 69 Ų | 69 | 35.3 Ų | 35.3 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70.1 | -41.1 | 172.6 | -78.9 | -31.1 | 0 | 0 | 0 | 112.1 | L72 V73 A74 E78 G79 A83 R87 | L72-D76 PolarHBondContact O-N 3.22Å; V73-D76 WeakPolarHBondContact O-CB 3.49Å; V73-D76 PolarHBondContact O-N 3.22Å; A74-D76 VanDerWaalsContact C-N 3.31Å; A74-D76 PolarHBondContact O-N 2.94Å; D76-E78 VanDerWaalsContact C-N 3.32Å; D76-G79 PolarHBondContact O-N 3.43Å; D76-A83 WeakPolarHBondContact OD1-CB 3.23Å; D76-R87 IonicContact OD1-CZ 2.61Å; D76-R87 IonicContact OD1-NH1 2.63Å; D76-R87 PolarHBondContact OD1-NH1 3.27Å; D76-R87 IonicContact OD1-NH2 3.74Å; D76-R87 IonicContact OD2-CZ 2.91Å; D76-R87 IonicContact OD2-NH1 3.28Å; D76-R87 PolarHBondContact OD2-NH1 2.91Å; D76-R87 IonicContact OD2-NH2 2.7Å; D76-R87 PolarHBondContact OD2-NH2 3.32Å |
| 77 | S | 79.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 39.2 Ų | 39.2 | 57% | 0.566 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67.3 | -33.2 | 176.6 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | V73 A74 G79 | V73-S77 PolarHBondContact O-N 3.36Å; V73-S77 PolarHBondContact O-OG 2.93Å; A74-S77 WeakPolarHBondContact CA-OG 3.42Å; A74-S77 PolarHBondContact O-N 3.39Å; A74-S77 PolarHBondContact O-OG 3.38Å; S77-G79 PolarHBondContact O-N 2.99Å |
| 78 | E | 70.7 | Confident | 81.6 | Confident | 96 Ų | 96 | 44.7 Ų | 44.7 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -3.5 | 170.9 | -71.8 | -64 | 109.7 | 0 | 0 | 113.6 | A24 I25 A74 D76 S80 | A24-E78 VanDerWaalsContact CB-OE2 3.31Å; A24-E78 WeakPolarHBondContact CB-OE2 3.22Å; I25-E78 HydrophobicContact CD1-CG 4.24Å; I25-E78 HydrophobicContact CG1-CG 3.88Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 2.86Å; D76-E78 VanDerWaalsContact C-N 3.32Å; E78-S80 PolarHBondContact O-N 3.22Å; E78-S80 VanDerWaalsContact O-N 3.17Å |
| 79 | G | 63 | Low | 80.7 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 20.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L75 D76 S77 | L75-G79 PolarHBondContact O-N 3.26Å; D76-G79 PolarHBondContact O-N 3.43Å; S77-G79 PolarHBondContact O-N 2.99Å |
| 80 | S | 67.7 | Low | 80 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | trans | -75.3 | 130.4 | -167.3 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | L75 E78 L82 A83 | L75-S80 WeakPolarHBondContact O-CB 3.5Å; L75-S80 PolarHBondContact O-N 2.87Å; E78-S80 PolarHBondContact O-N 3.22Å; E78-S80 VanDerWaalsContact O-N 3.17Å; S80-L82 PolarHBondContact O-N 3.3Å; S80-L82 WeakPolarHBondContact OG-CB 3.49Å; S80-L82 PolarHBondContact OG-N 2.73Å; S80-A83 PolarHBondContact O-N 2.92Å; S80-A83 VanDerWaalsContact O-N 3.09Å | ||
| 81 | F | 81.1 | Confident | 78.5 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57 | -24.1 | 174.1 | 70.1 | -94.9 | 0 | 0 | 0 | 112.6 | M15 S19 A83 T84 E85 | M15-F81 HydrophobicContact CE-CD2 4.33Å; M15-F81 HydrophobicContact CE-CE2 3.84Å; M15-F81 HydrophobicContact CG-CE2 4.21Å; M15-F81 HydrophobicContact SD-CE2 4.1Å; S19-F81 VanDerWaalsContact OG-CZ 3.29Å; S19-F81 WeakPolarHBondContact OG-CZ 3.37Å; F81-A83 VanDerWaalsContact C-N 3.27Å; F81-A83 PolarHBondContact O-N 3.38Å; F81-T84 PolarHBondContact O-N 3.41Å; F81-T84 PolarHBondContact O-OG1 3.26Å; F81-E85 PolarHBondContact O-N 3.25Å; F81-E85 VanDerWaalsContact O-N 3.14Å |
| 82 | L | 80.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.9 | -37.7 | 176.8 | -68.2 | 172.9 | 0 | 0 | 0 | 112.3 | M15 I16 L20 L75 S80 T84 E85 I86 | M15-L82 HydrophobicContact CB-CD2 4.25Å; M15-L82 HydrophobicContact CG-CD2 3.87Å; M15-L82 HydrophobicContact SD-CD2 4.05Å; I16-L82 HydrophobicContact CG1-CD1 4.26Å; I16-L82 HydrophobicContact CG1-CD2 3.98Å; L20-L82 HydrophobicContact CB-CD1 4.46Å; L20-L82 HydrophobicContact CD1-CD1 4.27Å; L75-L82 HydrophobicContact CD1-CB 4.24Å; L75-L82 HydrophobicContact CD2-CB 4.17Å; L75-L82 HydrophobicContact CD2-CD1 4.19Å; S80-L82 PolarHBondContact O-N 3.3Å; S80-L82 WeakPolarHBondContact OG-CB 3.49Å; S80-L82 PolarHBondContact OG-N 2.73Å; L82-T84 PolarHBondContact O-N 3.46Å; L82-E85 PolarHBondContact O-N 3.24Å; L82-I86 HydrophobicContact CB-CD1 4.46Å; L82-I86 WeakPolarHBondContact O-CB 3.48Å; L82-I86 WeakPolarHBondContact O-CD1 3.46Å; L82-I86 WeakPolarHBondContact O-CG1 3.36Å; L82-I86 PolarHBondContact O-N 2.87Å |
| 83 | A | 81.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L72 L75 D76 S80 F81 R87 | L72-A83 HydrophobicContact CD2-CB 4.37Å; L75-A83 HydrophobicContact CB-CB 3.87Å; D76-A83 WeakPolarHBondContact OD1-CB 3.23Å; S80-A83 PolarHBondContact O-N 2.92Å; S80-A83 VanDerWaalsContact O-N 3.09Å; F81-A83 VanDerWaalsContact C-N 3.27Å; F81-A83 PolarHBondContact O-N 3.38Å; A83-R87 WeakPolarHBondContact O-CB 3.32Å; A83-R87 VanDerWaalsContact O-CG 3.24Å; A83-R87 WeakPolarHBondContact O-CG 3.41Å; A83-R87 PolarHBondContact O-N 3.4Å; A83-R87 VanDerWaalsContact O-N 3.16Å |
| 84 | T | 80.1 | Confident | 71.5 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73.5 | -40.4 | 178.7 | 76.5 | 0 | 0 | 0 | 0 | 112.1 | F81 L82 R87 K88 | F81-T84 PolarHBondContact O-N 3.41Å; F81-T84 PolarHBondContact O-OG1 3.26Å; L82-T84 PolarHBondContact O-N 3.46Å; T84-R87 PolarHBondContact O-N 2.83Å; T84-K88 WeakPolarHBondContact O-CG 3.35Å; T84-K88 PolarHBondContact O-N 2.94Å |
| 85 | E | 78 | Confident | 69 | Low | 39 Ų | 39 | 72.4 Ų | 72.4 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.4 | -41.8 | 179.8 | -145.9 | 67.6 | -142.5 | 0 | 0 | 111.8 | M15 F81 L82 R87 K88 H89 | M15-E85 HydrophobicContact CE-CG 4.08Å; M15-E85 HydrophobicContact SD-CB 4.13Å; M15-E85 HydrophobicContact SD-CG 3.94Å; F81-E85 PolarHBondContact O-N 3.25Å; F81-E85 VanDerWaalsContact O-N 3.14Å; L82-E85 PolarHBondContact O-N 3.24Å; E85-R87 VanDerWaalsContact C-N 3.27Å; E85-R87 PolarHBondContact O-N 3.48Å; E85-K88 WeakPolarHBondContact O-CB 3.28Å; E85-K88 PolarHBondContact O-N 3.05Å; E85-K88 VanDerWaalsContact O-N 3.17Å; E85-K88 WeakPolarHBondContact OE1-CD 3.41Å; E85-K88 IonicContact OE1-NZ 3.09Å; E85-K88 PolarHBondContact OE1-NZ 3.02Å; E85-K88 IonicContact OE2-NZ 3.69Å; E85-K88 PolarHBondContact OE2-NZ 3.28Å; E85-H89 PolarHBondContact O-CD2 3.08Å; E85-H89 VanDerWaalsContact O-CD2 3.3Å; E85-H89 PolarHBondContact O-N 2.99Å |
| 86 | I | 82.9 | Confident | 66.4 | Low | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 173.3 | -66.2 | 165.1 | 0 | 0 | 0 | 110.1 | A8 C12 I16 F68 L72 L75 L82 H89 I90 | A8-I86 HydrophobicContact CB-CG2 4.3Å; C12-I86 HydrophobicContact CB-CG1 4Å; I16-I86 HydrophobicContact CD1-CD1 3.93Å; I16-I86 HydrophobicContact CD1-CG1 4.43Å; I16-I86 HydrophobicContact CG1-CD1 4.44Å; F68-I86 HydrophobicContact CE2-CG2 3.9Å; F68-I86 HydrophobicContact CZ-CG2 3.53Å; L72-I86 HydrophobicContact CD2-CB 4.16Å; L72-I86 HydrophobicContact CD2-CD1 4.45Å; L72-I86 HydrophobicContact CD2-CG2 3.88Å; L75-I86 HydrophobicContact CD1-CD1 3.71Å; L82-I86 HydrophobicContact CB-CD1 4.46Å; L82-I86 WeakPolarHBondContact O-CB 3.48Å; L82-I86 WeakPolarHBondContact O-CD1 3.46Å; L82-I86 WeakPolarHBondContact O-CG1 3.36Å; L82-I86 PolarHBondContact O-N 2.87Å; I86-H89 PolarHBondContact O-N 3.34Å; I86-I90 HydrophobicContact CG2-CD1 4.19Å; I86-I90 WeakPolarHBondContact O-CG1 3.07Å; I86-I90 PolarHBondContact O-N 2.92Å |
| 87 | R | 82.1 | Confident | 63.9 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 42% | 0.423 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 174.6 | -80.6 | 175.4 | 175.6 | 126.5 | 2.7 | 113.5 | D76 A83 T84 E85 H89 I90 A91 | D76-R87 IonicContact OD1-CZ 2.61Å; D76-R87 IonicContact OD1-NH1 2.63Å; D76-R87 PolarHBondContact OD1-NH1 3.27Å; D76-R87 IonicContact OD1-NH2 3.74Å; D76-R87 IonicContact OD2-CZ 2.91Å; D76-R87 IonicContact OD2-NH1 3.28Å; D76-R87 PolarHBondContact OD2-NH1 2.91Å; D76-R87 IonicContact OD2-NH2 2.7Å; D76-R87 PolarHBondContact OD2-NH2 3.32Å; A83-R87 WeakPolarHBondContact O-CB 3.32Å; A83-R87 VanDerWaalsContact O-CG 3.24Å; A83-R87 WeakPolarHBondContact O-CG 3.41Å; A83-R87 PolarHBondContact O-N 3.4Å; A83-R87 VanDerWaalsContact O-N 3.16Å; T84-R87 PolarHBondContact O-N 2.83Å; E85-R87 VanDerWaalsContact C-N 3.27Å; E85-R87 PolarHBondContact O-N 3.48Å; R87-H89 PolarHBondContact O-N 2.9Å; R87-I90 PolarHBondContact O-N 3.33Å; R87-A91 PolarHBondContact O-N 3.02Å |
| 88 | K | 77.1 | Confident | 61.7 | Low | 116 Ų | 116 | 95.6 Ų | 95.6 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.9 | -37.6 | 174.8 | -70.3 | 167.6 | -176.4 | 169.2 | 0 | 111.8 | T84 E85 A91 | T84-K88 WeakPolarHBondContact O-CG 3.35Å; T84-K88 PolarHBondContact O-N 2.94Å; E85-K88 WeakPolarHBondContact O-CB 3.28Å; E85-K88 PolarHBondContact O-N 3.05Å; E85-K88 VanDerWaalsContact O-N 3.17Å; E85-K88 WeakPolarHBondContact OE1-CD 3.41Å; E85-K88 IonicContact OE1-NZ 3.09Å; E85-K88 PolarHBondContact OE1-NZ 3.02Å; E85-K88 IonicContact OE2-NZ 3.69Å; E85-K88 PolarHBondContact OE2-NZ 3.28Å; K88-A91 PolarHBondContact O-N 3.1Å |
| 89 | H | 72.1 | Confident | 60 | Low | 83 Ų | 83 | 99.2 Ų | 99.2 | 38% | 0.384 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -79.3 | -11.5 | 177.5 | -73.6 | -70 | 0 | 0 | 0 | 115 | A8 C12 E85 I86 R87 | A8-H89 HydrophobicContact CB-CB 3.98Å; C12-H89 VanDerWaalsContact SG-CD2 3.6Å; E85-H89 PolarHBondContact O-CD2 3.08Å; E85-H89 VanDerWaalsContact O-CD2 3.3Å; E85-H89 PolarHBondContact O-N 2.99Å; I86-H89 PolarHBondContact O-N 3.34Å; R87-H89 PolarHBondContact O-N 2.9Å |
| 90 | I | 72.4 | Confident | 59.3 | Low | 63 Ų | 63 | 102.5 Ų | 102.5 | 32% | 0.323 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -85.6 | -30.2 | 170.3 | -64.3 | 164.6 | 0 | 0 | 0 | 111.1 | A8 F68 L72 I86 R87 | A8-I90 HydrophobicContact CB-CG1 4.25Å; F68-I90 HydrophobicContact CE1-CD1 3.87Å; F68-I90 HydrophobicContact CZ-CD1 3.9Å; L72-I90 HydrophobicContact CD1-CD1 4.27Å; I86-I90 HydrophobicContact CG2-CD1 4.19Å; I86-I90 WeakPolarHBondContact O-CG1 3.07Å; I86-I90 PolarHBondContact O-N 2.92Å; R87-I90 PolarHBondContact O-N 3.33Å |
| 91 | A | 57.7 | Low | 58.4 | Low | 56 Ų | 56 | 103.2 Ų | 103.2 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -82.9 | 122.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R87 K88 S93 | R87-A91 PolarHBondContact O-N 3.02Å; K88-A91 PolarHBondContact O-N 3.1Å; A91-S93 PolarHBondContact O-N 2.75Å |
| 92 | P | 45.8 | Very low | 57.1 | Low | 137 Ų | 137 | 104.3 Ų | 104.3 | 89% | 0.89 | 52% | 0.517 | S | S | * | . | trans | -74.2 | 112.9 | 172.8 | 30.1 | -32.5 | 0 | 0 | 0 | 110.3 | ||||
| 93 | S | 39.5 | Very low | 55.9 | Low | 104 Ų | 104 | 106.9 Ų | 106.9 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | trans | -124.8 | 138.9 | -175 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | A91 | A91-S93 PolarHBondContact O-N 2.75Š| ||
| 94 | P | 32.8 | Very low | 54.8 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | trans | -94.5 | 152.2 | 179.6 | 36.9 | -34.6 | 0 | 0 | 0 | 113.3 | ||||
| 95 | F | 34.8 | Very low | 54.1 | Low | 208 Ų | 208 | 107.6 Ų | 107.6 | 91% | 0.912 | 54% | 0.536 | S | S | * | . | trans | 55.1 | 101 | 171.7 | -72 | -80.2 | 0 | 0 | 0 | 118 | ||||
| 96 | R | 32 | Very low | 53.5 | Low | 241 Ų | 241 | 110 Ų | 110 | 91% | 0.909 | 54% | 0.543 | S | S | * | . | trans | -80.7 | 120.5 | 164.9 | -70.2 | -178.9 | 174.3 | -175.1 | -5.2 | 111.4 | ||||
| 97 | K | 30.1 | Very low | 52.8 | Low | 188 Ų | 188 | 115.8 Ų | 115.8 | 82% | 0.817 | 57% | 0.571 | S | S | * | * | trans | -73.8 | 153.7 | 142.7 | -79.5 | -173.6 | 173.7 | -175.4 | 0 | 108.5 | E99 | K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 2.87Å | ||
| 98 | K | 34.4 | Very low | 52.2 | Low | 208 Ų | 208 | 113.3 Ų | 113.3 | 90% | 0.904 | 57% | 0.566 | S | S | * | * | trans | -81.4 | 77.3 | 176 | -72.5 | -174.2 | 176.8 | -177.5 | 0 | 110.7 | ||||
| 99 | E | 34.8 | Very low | 52.2 | Low | 172 Ų | 172 | 108.4 Ų | 108.4 | 80% | 0.804 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 130.8 | 157 | -72 | 167.5 | -168.3 | 0 | 0 | 107.6 | K97 S101 | K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 2.87Å; E99-S101 PolarHBondContact O-N 2.9Å |
| 100 | H | 48 | Very low | 52.4 | Low | 138 Ų | 138 | 108.3 Ų | 108.3 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 129.5 | 177.1 | -70.4 | -88.8 | 0 | 0 | 0 | 109.2 | ||
| 101 | S | 49.5 | Very low | 52.5 | Low | 38 Ų | 38 | 109.8 Ų | 109.8 | 27% | 0.266 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -81.8 | 149.2 | -171.8 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | E99 S103 D104 L105 | E99-S101 PolarHBondContact O-N 2.9Å; S101-S103 WeakPolarHBondContact CB-OG 3.3Å; S101-S103 PolarHBondContact O-N 2.89Å; S101-S103 VanDerWaalsContact O-N 3.14Å; S101-S103 PolarHBondContact OG-OG 2.85Å; S101-D104 WeakPolarHBondContact CA-OD2 3.45Å; S101-D104 WeakPolarHBondContact CB-OD2 3.32Å; S101-D104 PolarHBondContact N-OD2 3.4Å; S101-D104 WeakPolarHBondContact O-CB 3.47Å; S101-D104 PolarHBondContact O-N 2.97Å; S101-D104 PolarHBondContact OG-N 2.82Å; S101-D104 PolarHBondContact OG-OD1 2.9Å; S101-D104 VanDerWaalsContact OG-OD1 3.14Å; S101-D104 PolarHBondContact OG-OD2 3.45Å; S101-L105 PolarHBondContact O-N 3.46Å |
| 102 | L | 52 | Low | 53.3 | Low | 102 Ų | 102 | 107.2 Ų | 107.2 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -18 | 174.2 | -70.4 | 168.6 | 0 | 0 | 0 | 112.5 | R106 | L102-R106 VanDerWaalsContact O-CG 3.3Å; L102-R106 WeakPolarHBondContact O-CG 3.43Å; L102-R106 PolarHBondContact O-N 3Å |
| 103 | S | 57 | Low | 55 | Low | 54 Ų | 54 | 102.5 Ų | 102.5 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -51.3 | 166.1 | 16.6 | 0 | 0 | 0 | 0 | 111.9 | S101 L105 R106 E107 | S101-S103 WeakPolarHBondContact CB-OG 3.3Å; S101-S103 PolarHBondContact O-N 2.89Å; S101-S103 VanDerWaalsContact O-N 3.14Å; S101-S103 PolarHBondContact OG-OG 2.85Å; S103-L105 VanDerWaalsContact C-N 3.27Å; S103-L105 PolarHBondContact O-N 3.07Å; S103-R106 PolarHBondContact O-N 2.94Å; S103-E107 PolarHBondContact O-N 2.91Å |
| 104 | D | 58.7 | Low | 57.1 | Low | 68 Ų | 68 | 97.8 Ų | 97.8 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.1 | -41.1 | -178.4 | -48.5 | -44.3 | 0 | 0 | 0 | 111.1 | S101 E107 L108 | S101-D104 WeakPolarHBondContact CA-OD2 3.45Å; S101-D104 WeakPolarHBondContact CB-OD2 3.32Å; S101-D104 PolarHBondContact N-OD2 3.4Å; S101-D104 WeakPolarHBondContact O-CB 3.47Å; S101-D104 PolarHBondContact O-N 2.97Å; S101-D104 PolarHBondContact OG-N 2.82Å; S101-D104 PolarHBondContact OG-OD1 2.9Å; S101-D104 VanDerWaalsContact OG-OD1 3.14Å; S101-D104 PolarHBondContact OG-OD2 3.45Å; D104-E107 PolarHBondContact O-N 2.9Å; D104-L108 WeakPolarHBondContact O-CB 3.31Å; D104-L108 VanDerWaalsContact O-CG 3.32Å; D104-L108 WeakPolarHBondContact O-CG 3.23Å; D104-L108 PolarHBondContact O-N 2.71Å |
| 105 | L | 63.7 | Low | 59.5 | Low | 21 Ų | 21 | 95 Ų | 95 | 11% | 0.11 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.9 | -33.5 | 176.9 | -71.1 | 176 | 0 | 0 | 0 | 113.4 | S101 S103 L108 L109 L205 V206 | S101-L105 PolarHBondContact O-N 3.46Å; S103-L105 VanDerWaalsContact C-N 3.27Å; S103-L105 PolarHBondContact O-N 3.07Å; L105-L108 HydrophobicContact CD2-CD1 4.36Å; L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 3.07Å; L105-L109 VanDerWaalsContact O-N 3.16Å; L105-L205 HydrophobicContact CD2-CB 4.19Å; L105-L205 HydrophobicContact CD2-CD1 4.4Å; L105-V206 HydrophobicContact CD1-CG2 4.11Å; L105-V206 HydrophobicContact CD2-CG2 4.04Å |
| 106 | R | 65.5 | Low | 61.6 | Low | 88 Ų | 88 | 90.4 Ų | 90.4 | 33% | 0.332 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.2 | -41.3 | 173.2 | -77.2 | 177.3 | -177.4 | -167.3 | 4.2 | 111.1 | L102 S103 L109 L110 | L102-R106 VanDerWaalsContact O-CG 3.3Å; L102-R106 WeakPolarHBondContact O-CG 3.43Å; L102-R106 PolarHBondContact O-N 3Å; S103-R106 PolarHBondContact O-N 2.94Å; R106-L109 PolarHBondContact O-N 2.96Å; R106-L110 WeakPolarHBondContact O-CB 3.47Å; R106-L110 VanDerWaalsContact O-CG 3.25Å; R106-L110 WeakPolarHBondContact O-CG 3.4Å; R106-L110 PolarHBondContact O-N 3.29Å |
| 107 | E | 68.5 | Low | 63.7 | Low | 123 Ų | 123 | 82.5 Ų | 82.5 | 58% | 0.575 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 176.1 | -70.3 | -177.8 | 173.5 | 0 | 0 | 111 | S103 D104 L109 L110 E111 | S103-E107 PolarHBondContact O-N 2.91Å; D104-E107 PolarHBondContact O-N 2.9Å; E107-L109 PolarHBondContact O-N 2.89Å; E107-L110 PolarHBondContact O-N 3.23Å; E107-L110 VanDerWaalsContact O-N 3.14Å; E107-E111 PolarHBondContact O-N 3.06Å |
| 108 | L | 68.9 | Low | 66 | Low | 60 Ų | 60 | 76.2 Ų | 76.2 | 31% | 0.314 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 173.4 | -77.4 | 165.4 | 0 | 0 | 0 | 113.6 | D104 L105 G112 | D104-L108 WeakPolarHBondContact O-CB 3.31Å; D104-L108 VanDerWaalsContact O-CG 3.32Å; D104-L108 WeakPolarHBondContact O-CG 3.23Å; D104-L108 PolarHBondContact O-N 2.71Å; L105-L108 HydrophobicContact CD2-CD1 4.36Å; L108-G112 PolarHBondContact O-N 3.19Å |
| 109 | L | 77.1 | Confident | 68 | Low | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.9 | -29.7 | 176.6 | -72.8 | 171.5 | 0 | 0 | 0 | 112.9 | L105 R106 E107 A113 V114 L198 R199 L205 | L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 3.07Å; L105-L109 VanDerWaalsContact O-N 3.16Å; R106-L109 PolarHBondContact O-N 2.96Å; E107-L109 PolarHBondContact O-N 2.89Å; L109-A113 PolarHBondContact O-N 3.48Å; L109-V114 HydrophobicContact CD2-CB 4.19Å; L109-V114 HydrophobicContact CD2-CG1 4.43Å; L109-V114 HydrophobicContact CD2-CG2 3.81Å; L109-V114 PolarHBondContact O-N 3.04Å; L109-L198 HydrophobicContact CD2-CB 4.33Å; L109-R199 HydrophobicContact CD1-CG 4.09Å; L109-L205 HydrophobicContact CD1-CD1 3.99Å; L109-L205 HydrophobicContact CD2-CD1 3.99Å; L109-L205 HydrophobicContact CG-CD1 4.07Å |
| 110 | L | 78.1 | Confident | 70.4 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 42% | 0.424 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -76 | -42.8 | 174.9 | -72.7 | 168.2 | 0 | 0 | 0 | 112.1 | R106 E107 G112 A113 | R106-L110 WeakPolarHBondContact O-CB 3.47Å; R106-L110 VanDerWaalsContact O-CG 3.25Å; R106-L110 WeakPolarHBondContact O-CG 3.4Å; R106-L110 PolarHBondContact O-N 3.29Å; E107-L110 PolarHBondContact O-N 3.23Å; E107-L110 VanDerWaalsContact O-N 3.14Å; L110-G112 VanDerWaalsContact C-N 3.28Å; L110-G112 PolarHBondContact O-N 3.38Å; L110-A113 WeakPolarHBondContact O-CA 3.47Å; L110-A113 PolarHBondContact O-N 2.95Å |
| 111 | E | 74.1 | Confident | 72 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 169.6 | -75 | -167.4 | -177.6 | 0 | 0 | 111 | E107 A113 L252 G253 | E107-E111 PolarHBondContact O-N 3.06Å; E111-A113 PolarHBondContact O-N 2.79Å; E111-L252 HydrophobicContact CB-CD2 4.09Å; E111-L252 HydrophobicContact CB-CG 4.44Å; E111-G253 PolarHBondContact OE2-N 2.85Å |
| 112 | G | 73.6 | Confident | 73.7 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11.1 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | L108 L110 V114 V213 W215 | L108-G112 PolarHBondContact O-N 3.19Å; L110-G112 VanDerWaalsContact C-N 3.28Å; L110-G112 PolarHBondContact O-N 3.38Å; G112-V114 PolarHBondContact O-N 2.86Å; G112-V213 WeakPolarHBondContact CA-O 3.29Å; G112-W215 PolarHBondContact O-N 3.1Å |
| 113 | A | 82 | Confident | 75.2 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 36.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L109 L110 E111 | L109-A113 PolarHBondContact O-N 3.48Å; L110-A113 WeakPolarHBondContact O-CA 3.47Å; L110-A113 PolarHBondContact O-N 2.95Å; E111-A113 PolarHBondContact O-N 2.79Å |
| 114 | V | 83.7 | Confident | 76.5 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 125.7 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | L109 G112 A195 L198 R199 V213 W215 | L109-V114 HydrophobicContact CD2-CB 4.19Å; L109-V114 HydrophobicContact CD2-CG1 4.43Å; L109-V114 HydrophobicContact CD2-CG2 3.81Å; L109-V114 PolarHBondContact O-N 3.04Å; G112-V114 PolarHBondContact O-N 2.86Å; V114-A195 HydrophobicContact CG1-CB 4.36Å; V114-L198 HydrophobicContact CG1-CD1 4.17Å; V114-R199 PolarHBondContact O-NH2 3.44Å; V114-V213 HydrophobicContact CG2-CB 4.34Å; V114-V213 HydrophobicContact CG2-CG1 3.91Å; V114-W215 HydrophobicContact CG1-CE3 3.99Å; V114-W215 HydrophobicContact CG1-CZ3 4.42Å; V114-W215 HydrophobicContact CG2-CB 4.22Å |
| 115 | P | 82.6 | Confident | 77.7 | Confident | 55 Ų | 55 | 61.9 Ų | 61.9 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -53 | 146.1 | -179.8 | -28 | 35 | 0 | 0 | 0 | 113.2 | A195 R199 W215 | P115-A195 HydrophobicContact CB-CB 4.4Å; P115-R199 PolarHBondContact O-NE 2.91Å; P115-R199 PolarHBondContact O-NH2 2.79Å; P115-W215 VanDerWaalsContact CD-CE2 3.5Å; P115-W215 HydrophobicContact CG-CD2 4.02Å; P115-W215 HydrophobicContact CG-CG 4.34Å; P115-W215 HydrophobicContact CG-CZ2 3.98Å |
| 116 | D | 79.1 | Confident | 78.7 | Confident | 111 Ų | 111 | 67.1 Ų | 67.1 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 159.7 | 168.1 | -87.2 | -69.7 | 0 | 0 | 0 | 111.7 | R199 | D116-R199 VanDerWaalsContact CG-NH2 3.27Å; D116-R199 IonicContact OD1-CZ 2.72Å; D116-R199 IonicContact OD1-NH1 2.9Å; D116-R199 PolarHBondContact OD1-NH1 3.13Å; D116-R199 IonicContact OD1-NH2 3.84Å; D116-R199 PolarHBondContact OD1-NH2 2.84Å; D116-R199 IonicContact OD2-NH2 2.66Å; D116-R199 PolarHBondContact OD2-NH2 2.73Å |
| 117 | K | 77.2 | Confident | 79.7 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -65 | 143.7 | 171.2 | -59.4 | -175.9 | -172.2 | 179.1 | 0 | 108.6 | Y121 Q200 | K117-Y121 HydrophobicContact CD-CD1 4.45Å; K117-Q200 VanDerWaalsContact NZ-CG 3.31Å |
| 118 | P | 76.7 | Confident | 80.5 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -61 | 149.8 | 174.2 | 25 | -31 | 0 | 0 | 0 | 110.3 | R120 Y121 V192 | P118-R120 PolarHBondContact O-N 2.65Å; P118-Y121 HydrophobicContact CG-CD2 4.21Å; P118-V192 HydrophobicContact CG-CG1 3.9Å |
| 119 | T | 78.1 | Confident | 81.3 | Confident | 141 Ų | 141 | 58.4 Ų | 58.4 | 87% | 0.865 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -56.6 | -26.6 | -174.9 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 120 | R | 83.5 | Confident | 81.8 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -125.6 | 114.9 | 174.4 | -67.9 | 166.9 | 163.5 | 162.9 | -14.8 | 106.5 | P118 M372 W373 | P118-R120 PolarHBondContact O-N 2.65Å; R120-M372 HydrophobicContact CB-CB 4.38Å; R120-M372 HydrophobicContact CG-CB 4.24Å; R120-M372 PolarHBondContact NE-O 3.33Å; R120-M372 PolarHBondContact NH2-O 3.49Å; R120-W373 VanDerWaalsContact CD-CD2 3.47Å; R120-W373 VanDerWaalsContact CZ-O 3.3Å; R120-W373 PolarHBondContact NH1-O 2.8Å; R120-W373 PolarHBondContact NH2-O 2.91Å; R120-W373 VanDerWaalsContact NH2-O 3.09Å |
| 121 | Y | 83.3 | Confident | 82.3 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | trans | -145 | 138 | -165.9 | 167.9 | -96 | 0 | 0 | 0 | 111.4 | K117 P118 N123 V192 S196 | K117-Y121 HydrophobicContact CD-CD1 4.45Å; P118-Y121 HydrophobicContact CG-CD2 4.21Å; Y121-N123 HydrophobicContact CE1-CB 4.01Å; Y121-V192 HydrophobicContact CD2-CG1 3.83Å; Y121-V192 HydrophobicContact CE2-CG1 3.85Å; Y121-S196 WeakPolarHBondContact OH-CB 3.33Å; Y121-S196 PolarHBondContact OH-OG 3.35Å | ||
| 122 | I | 84.9 | Confident | 83 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | trans | -106.2 | 129.6 | 174.5 | -67.7 | 170.6 | 0 | 0 | 0 | 109.7 | R124 E365 L369 M372 | I122-R124 HydrophobicContact CG2-CG 4.19Å; I122-E365 HydrophobicContact CD1-CB 4.06Å; I122-E365 WeakPolarHBondContact CD1-O 3.01Å; I122-E365 HydrophobicContact CG2-CG 4.11Å; I122-L369 HydrophobicContact CD1-CB 3.8Å; I122-L369 HydrophobicContact CD1-CD1 3.66Å; I122-L369 HydrophobicContact CD1-CG 4.3Å; I122-L369 HydrophobicContact CG1-CD1 3.8Å; I122-M372 HydrophobicContact CG1-CE 3.71Å | ||
| 123 | N | 82.9 | Confident | 83.6 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | trans | -82.4 | 114.3 | 175.8 | -173.5 | 42.9 | 0 | 0 | 0 | 110.4 | Y121 P125 Q200 | Y121-N123 HydrophobicContact CE1-CB 4.01Å; N123-P125 WeakPolarHBondContact O-CD 3.47Å; N123-Q200 PolarHBondContact OD1-NE2 3.17Å | ||
| 124 | R | 84.9 | Confident | 83.9 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | trans | -105.1 | 85.9 | -179.3 | -51.8 | -167.7 | 80 | -166.7 | 10.5 | 110.1 | I122 D126 L127 V128 N359 D360 E365 | I122-R124 HydrophobicContact CG2-CG 4.19Å; R124-D126 VanDerWaalsContact C-N 3.3Å; R124-D126 PolarHBondContact O-N 2.95Å; R124-L127 HydrophobicContact CB-CB 4.33Å; R124-L127 HydrophobicContact CB-CD1 4.28Å; R124-L127 HydrophobicContact CB-CG 4.48Å; R124-L127 PolarHBondContact O-N 3.17Å; R124-L127 VanDerWaalsContact O-N 3.11Å; R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 2.81Å; R124-N359 PolarHBondContact NH1-O 2.87Å; R124-D360 PolarHBondContact NH2-O 2.93Å; R124-E365 WeakPolarHBondContact CD-OE1 3.34Å; R124-E365 WeakPolarHBondContact CG-OE1 3.22Å; R124-E365 IonicContact CZ-OE1 3.15Å; R124-E365 IonicContact CZ-OE2 2.67Å; R124-E365 IonicContact NE-OE1 2.72Å; R124-E365 PolarHBondContact NE-OE1 3.21Å; R124-E365 IonicContact NE-OE2 3.78Å; R124-E365 PolarHBondContact NE-OE2 2.9Å; R124-E365 IonicContact NH2-OE1 2.68Å; R124-E365 IonicContact NH2-OE2 2.79Å; R124-E365 PolarHBondContact NH2-OE2 2.92Å | ||
| 125 | P | 83.5 | Confident | 84 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -34.2 | -165.4 | 24 | -35.1 | 0 | 0 | 0 | 113.8 | N123 L127 V128 S129 | N123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-L127 VanDerWaalsContact C-N 3.35Å; P125-L127 PolarHBondContact O-N 2.91Å; P125-V128 PolarHBondContact O-N 3.24Å; P125-S129 WeakPolarHBondContact O-CB 3.42Å; P125-S129 PolarHBondContact O-N 2.92Å; P125-S129 PolarHBondContact O-OG 3.29Å |
| 126 | D | 84.1 | Confident | 84.1 | Confident | 131 Ų | 131 | 58.8 Ų | 58.8 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 178.8 | -57.6 | -17.6 | 0 | 0 | 0 | 111.9 | R124 S129 A130 | R124-D126 VanDerWaalsContact C-N 3.3Å; R124-D126 PolarHBondContact O-N 2.95Å; D126-S129 PolarHBondContact O-OG 3.03Å; D126-A130 WeakPolarHBondContact O-CB 3.4Å; D126-A130 PolarHBondContact O-N 3.07Å |
| 127 | L | 86.2 | Confident | 84.3 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.8 | -34.4 | 177.2 | -63.3 | -179.5 | 0 | 0 | 0 | 112 | R124 P125 L131 L193 L357 | R124-L127 HydrophobicContact CB-CB 4.33Å; R124-L127 HydrophobicContact CB-CD1 4.28Å; R124-L127 HydrophobicContact CB-CG 4.48Å; R124-L127 PolarHBondContact O-N 3.17Å; R124-L127 VanDerWaalsContact O-N 3.11Å; P125-L127 VanDerWaalsContact C-N 3.35Å; P125-L127 PolarHBondContact O-N 2.91Å; L127-L131 WeakPolarHBondContact O-CB 3.17Å; L127-L131 PolarHBondContact O-N 3.4Å; L127-L193 HydrophobicContact CB-CD1 3.76Å; L127-L193 HydrophobicContact CB-CD2 4Å; L127-L357 HydrophobicContact CD1-CD2 4.17Å; L127-L357 HydrophobicContact CD2-CD2 3.91Å |
| 128 | V | 86.8 | Confident | 84.6 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -52.5 | 173.4 | 166.4 | 0 | 0 | 0 | 0 | 109.7 | R124 P125 L131 S132 L193 V197 | R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 2.81Å; P125-V128 PolarHBondContact O-N 3.24Å; V128-L131 PolarHBondContact O-N 3.14Å; V128-S132 WeakPolarHBondContact O-CB 3.5Å; V128-S132 PolarHBondContact O-N 3.31Å; V128-L193 HydrophobicContact CG2-CD1 4.1Å; V128-V197 HydrophobicContact CB-CG2 4.17Å; V128-V197 HydrophobicContact CG1-CG2 4.03Å; V128-V197 HydrophobicContact CG2-CG2 4.14Å |
| 129 | S | 84.9 | Confident | 84.6 | Confident | 52 Ų | 52 | 49.1 Ų | 49.1 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | 178 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | P125 D126 L131 S132 N133 | P125-S129 WeakPolarHBondContact O-CB 3.42Å; P125-S129 PolarHBondContact O-N 2.92Å; P125-S129 PolarHBondContact O-OG 3.29Å; D126-S129 PolarHBondContact O-OG 3.03Å; S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 3.01Å; S129-S132 WeakPolarHBondContact O-CB 3.36Å; S129-S132 PolarHBondContact O-N 3.32Å; S129-N133 WeakPolarHBondContact O-CB 3.33Å; S129-N133 VanDerWaalsContact O-CG 3.29Å; S129-N133 PolarHBondContact O-N 3.09Å; S129-N133 PolarHBondContact O-ND2 3.49Å |
| 130 | A | 87.7 | Confident | 84.5 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -29.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D126 K134 | D126-A130 WeakPolarHBondContact O-CB 3.4Å; D126-A130 PolarHBondContact O-N 3.07Å; A130-K134 WeakPolarHBondContact O-CG 3.27Å |
| 131 | L | 89 | Confident | 84 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -80.6 | -42.3 | 172.7 | -166.5 | 158.7 | 0 | 0 | 0 | 111 | L127 V128 S129 N133 K134 L135 I182 L193 V197 L355 | L127-L131 WeakPolarHBondContact O-CB 3.17Å; L127-L131 PolarHBondContact O-N 3.4Å; V128-L131 PolarHBondContact O-N 3.14Å; S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 3.01Å; L131-N133 PolarHBondContact O-N 3.29Å; L131-K134 PolarHBondContact O-N 3.38Å; L131-K134 VanDerWaalsContact O-N 3.08Å; L131-L135 HydrophobicContact CD2-CD1 3.42Å; L131-L135 VanDerWaalsContact CD2-CD1 3.42Å; L131-L135 HydrophobicContact CD2-CG 3.76Å; L131-L135 PolarHBondContact O-N 2.71Å; L131-I182 HydrophobicContact CD1-CD1 3.58Å; L131-I182 HydrophobicContact CG-CD1 4.27Å; L131-L193 HydrophobicContact CD1-CD2 3.78Å; L131-L193 HydrophobicContact CD1-CG 3.89Å; L131-V197 HydrophobicContact CB-CG2 4.19Å; L131-V197 HydrophobicContact CD1-CG2 4.39Å; L131-V197 HydrophobicContact CD2-CB 4.13Å; L131-V197 HydrophobicContact CD2-CG1 4.06Å; L131-V197 HydrophobicContact CD2-CG2 4.04Å; L131-V197 HydrophobicContact CG-CG2 4.44Å; L131-L355 HydrophobicContact CB-CD2 4.03Å; L131-L355 HydrophobicContact CD1-CD2 4.04Å; L131-L355 HydrophobicContact CG-CD2 4.08Å |
| 132 | S | 87.4 | Confident | 83.3 | Confident | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -50.7 | -56.1 | 173.2 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | V128 S129 K134 L135 Q136 E201 | V128-S132 WeakPolarHBondContact O-CB 3.5Å; V128-S132 PolarHBondContact O-N 3.31Å; S129-S132 WeakPolarHBondContact O-CB 3.36Å; S129-S132 PolarHBondContact O-N 3.32Å; S132-K134 PolarHBondContact O-N 2.84Å; S132-K134 VanDerWaalsContact O-N 3.1Å; S132-L135 PolarHBondContact O-N 3.39Å; S132-Q136 PolarHBondContact O-N 3.02Å; S132-E201 WeakPolarHBondContact CB-OE1 3.38Å; S132-E201 WeakPolarHBondContact CB-OE2 3.28Å; S132-E201 PolarHBondContact OG-OE1 2.86Å; S132-E201 PolarHBondContact OG-OE2 3.29Å |
| 133 | N | 86.9 | Confident | 82.3 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 54% | 0.535 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.3 | -30.9 | 178.4 | -73.2 | -47.4 | 0 | 0 | 0 | 112.6 | S129 L131 A137 | S129-N133 WeakPolarHBondContact O-CB 3.33Å; S129-N133 VanDerWaalsContact O-CG 3.29Å; S129-N133 PolarHBondContact O-N 3.09Å; S129-N133 PolarHBondContact O-ND2 3.49Å; L131-N133 PolarHBondContact O-N 3.29Å; N133-A137 WeakPolarHBondContact O-CB 3.3Å; N133-A137 PolarHBondContact O-N 3.45Å |
| 134 | K | 88.1 | Confident | 80.9 | Confident | 59 Ų | 59 | 47 Ų | 47 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -82.7 | -33.9 | 177 | -73.3 | -178.7 | 178.2 | 177.5 | 0 | 113.4 | A130 L131 S132 Q136 L138 L180 R354 L355 | A130-K134 WeakPolarHBondContact O-CG 3.27Å; L131-K134 PolarHBondContact O-N 3.38Å; L131-K134 VanDerWaalsContact O-N 3.08Å; S132-K134 PolarHBondContact O-N 2.84Å; S132-K134 VanDerWaalsContact O-N 3.1Å; K134-Q136 VanDerWaalsContact C-N 3.31Å; K134-L138 VanDerWaalsContact O-CB 3.28Å; K134-L138 WeakPolarHBondContact O-CB 3.31Å; K134-L138 PolarHBondContact O-N 3.15Å; K134-L180 HydrophobicContact CB-CD1 4.16Å; K134-L180 HydrophobicContact CB-CD2 4.02Å; K134-L180 HydrophobicContact CD-CD1 4.19Å; K134-R354 PolarHBondContact NZ-O 3.02Å; K134-L355 HydrophobicContact CD-CB 4.36Å; K134-L355 HydrophobicContact CD-CD1 4.31Å |
| 135 | L | 87.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.3 | -36.1 | 169.2 | -83.8 | 179.5 | 0 | 0 | 0 | 111.3 | L131 S132 A139 L180 V197 L198 L204 F209 L313 L336 | L131-L135 HydrophobicContact CD2-CD1 3.42Å; L131-L135 VanDerWaalsContact CD2-CD1 3.42Å; L131-L135 HydrophobicContact CD2-CG 3.76Å; L131-L135 PolarHBondContact O-N 2.71Å; S132-L135 PolarHBondContact O-N 3.39Å; L135-A139 PolarHBondContact O-N 3.25Å; L135-A139 VanDerWaalsContact O-N 3.13Å; L135-L180 HydrophobicContact CD2-CD2 4.2Å; L135-L180 HydrophobicContact CG-CD2 4.33Å; L135-V197 HydrophobicContact CD1-CG1 4.47Å; L135-L198 HydrophobicContact CD1-CD2 4.25Å; L135-L204 HydrophobicContact CB-CD1 3.85Å; L135-L204 HydrophobicContact CB-CD2 4.16Å; L135-L204 HydrophobicContact CD1-CD1 4.41Å; L135-L204 HydrophobicContact CD1-CD2 3.89Å; L135-F209 HydrophobicContact CB-CE2 4.2Å; L135-F209 HydrophobicContact CD2-CE2 4.13Å; L135-F209 HydrophobicContact CD2-CZ 4.13Å; L135-L313 HydrophobicContact CD2-CD1 4.29Å; L135-L313 HydrophobicContact CD2-CD2 4.06Å; L135-L336 HydrophobicContact CD2-CD1 3.93Å |
| 136 | Q | 84.4 | Confident | 77.4 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -50.7 | 172 | -174.6 | 171.9 | -4.7 | 0 | 0 | 111.3 | S132 K134 L138 A139 D140 | S132-Q136 PolarHBondContact O-N 3.02Å; K134-Q136 VanDerWaalsContact C-N 3.31Å; Q136-L138 VanDerWaalsContact C-N 3.28Å; Q136-L138 PolarHBondContact O-N 3.05Å; Q136-A139 CarbonylContact O-C 3.56Å; Q136-A139 WeakPolarHBondContact O-CA 3.49Å; Q136-A139 WeakPolarHBondContact O-CB 3.45Å; Q136-A139 PolarHBondContact O-N 3.03Å; Q136-D140 PolarHBondContact O-N 3.19Å |
| 137 | A | 82.8 | Confident | 75.6 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.4 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | N133 A139 D140 H141 | N133-A137 WeakPolarHBondContact O-CB 3.3Å; N133-A137 PolarHBondContact O-N 3.45Å; A137-A139 VanDerWaalsContact C-N 3.31Å; A137-A139 PolarHBondContact O-N 2.96Å; A137-D140 PolarHBondContact O-N 3.5Å; A137-H141 PolarHBondContact O-N 3.35Å; A137-H141 VanDerWaalsContact O-N 3.08Å |
| 138 | L | 83.3 | Confident | 73.7 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 174.9 | -173.1 | 150.5 | 0 | 0 | 0 | 112.2 | K134 Q136 F142 A178 L180 F209 A334 | K134-L138 VanDerWaalsContact O-CB 3.28Å; K134-L138 WeakPolarHBondContact O-CB 3.31Å; K134-L138 PolarHBondContact O-N 3.15Å; Q136-L138 VanDerWaalsContact C-N 3.28Å; Q136-L138 PolarHBondContact O-N 3.05Å; L138-F142 HydrophobicContact CD2-CE2 4.17Å; L138-F142 VanDerWaalsContact O-CD2 3.23Å; L138-F142 WeakPolarHBondContact O-CD2 3.44Å; L138-F142 WeakPolarHBondContact O-CE2 3.21Å; L138-A178 HydrophobicContact CG-CB 4.15Å; L138-L180 HydrophobicContact CD1-CB 3.56Å; L138-F209 HydrophobicContact CD2-CE1 4.07Å; L138-F209 HydrophobicContact CD2-CZ 4.08Å; L138-A334 HydrophobicContact CD2-CB 3.38Å |
| 139 | A | 77.4 | Confident | 71.7 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.9 | -36.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L135 Q136 A137 H141 F142 C208 F209 L311 | L135-A139 PolarHBondContact O-N 3.25Å; L135-A139 VanDerWaalsContact O-N 3.13Å; Q136-A139 CarbonylContact O-C 3.56Å; Q136-A139 WeakPolarHBondContact O-CA 3.49Å; Q136-A139 WeakPolarHBondContact O-CB 3.45Å; Q136-A139 PolarHBondContact O-N 3.03Å; A137-A139 VanDerWaalsContact C-N 3.31Å; A137-A139 PolarHBondContact O-N 2.96Å; A139-H141 PolarHBondContact O-N 3.47Å; A139-F142 PolarHBondContact O-N 2.93Å; A139-C208 HydrophobicContact CB-CB 3.56Å; A139-F209 HydrophobicContact CB-CE1 4.43Å; A139-F209 HydrophobicContact CB-CZ 4.09Å; A139-L311 HydrophobicContact CB-CD2 4.02Å |
| 140 | D | 75.3 | Confident | 70 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.3 | -29.8 | 176.4 | -69.5 | -32.4 | 0 | 0 | 0 | 112.1 | Q136 A137 F142 R143 | Q136-D140 PolarHBondContact O-N 3.19Å; A137-D140 PolarHBondContact O-N 3.5Å; D140-F142 PolarHBondContact O-N 3.44Å; D140-F142 VanDerWaalsContact O-N 3.1Å; D140-R143 PolarHBondContact O-N 3.5Å; D140-R143 WeakPolarHBondContact OD1-CD 3.4Å; D140-R143 IonicContact OD1-CZ 2.7Å; D140-R143 IonicContact OD1-NE 2.66Å; D140-R143 IonicContact OD1-NH1 3.2Å; D140-R143 PolarHBondContact OD1-NH1 3.1Å |
| 141 | H | 72.7 | Confident | 67.9 | Low | 76 Ų | 76 | 65.7 Ų | 65.7 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.6 | 168.8 | -79.2 | -44 | 0 | 0 | 0 | 114.8 | A137 A139 P175 A178 | A137-H141 PolarHBondContact O-N 3.35Å; A137-H141 VanDerWaalsContact O-N 3.08Å; A139-H141 PolarHBondContact O-N 3.47Å; H141-P175 HydrophobicContact CB-CG 4.19Å; H141-P175 VanDerWaalsContact O-CD 3.31Å; H141-P175 WeakPolarHBondContact O-CD 3.41Å; H141-A178 HydrophobicContact CB-CB 4.36Å |
| 142 | F | 69.7 | Low | 65.6 | Low | 18 Ų | 18 | 69.6 Ų | 69.6 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -2.6 | 175.5 | -60.3 | -81.7 | 0 | 0 | 0 | 113.8 | L138 A139 D140 A178 L311 A334 | L138-F142 HydrophobicContact CD2-CE2 4.17Å; L138-F142 VanDerWaalsContact O-CD2 3.23Å; L138-F142 WeakPolarHBondContact O-CD2 3.44Å; L138-F142 WeakPolarHBondContact O-CE2 3.21Å; A139-F142 PolarHBondContact O-N 2.93Å; D140-F142 PolarHBondContact O-N 3.44Å; D140-F142 VanDerWaalsContact O-N 3.1Å; F142-A178 HydrophobicContact CE2-CB 3.77Å; F142-A178 HydrophobicContact CZ-CB 3.78Å; F142-L311 HydrophobicContact CB-CD1 4.46Å; F142-L311 HydrophobicContact CB-CD2 4.45Å; F142-L311 HydrophobicContact CD1-CD1 4.19Å; F142-L311 HydrophobicContact CD2-CD1 3.67Å; F142-L311 HydrophobicContact CD2-CD2 3.49Å; F142-L311 VanDerWaalsContact CD2-CD2 3.49Å; F142-L311 HydrophobicContact CD2-CG 4.26Å; F142-L311 HydrophobicContact CE1-CD1 4.32Å; F142-L311 HydrophobicContact CE2-CD1 3.82Å; F142-L311 HydrophobicContact CE2-CD2 3.99Å; F142-L311 HydrophobicContact CG-CD1 3.85Å; F142-L311 HydrophobicContact CG-CD2 4.19Å; F142-L311 HydrophobicContact CZ-CD1 4.12Å; F142-A334 HydrophobicContact CE2-CB 4.09Å; F142-A334 HydrophobicContact CZ-CB 4.49Å |
| 143 | R | 63.1 | Low | 63.6 | Low | 105 Ų | 105 | 73.4 Ų | 73.4 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | trans | -88.7 | 150.1 | 176.4 | -66.4 | 179.2 | 175.3 | 157.6 | -7.2 | 109.9 | D140 D207 | D140-R143 PolarHBondContact O-N 3.5Å; D140-R143 WeakPolarHBondContact OD1-CD 3.4Å; D140-R143 IonicContact OD1-CZ 2.7Å; D140-R143 IonicContact OD1-NE 2.66Å; D140-R143 IonicContact OD1-NH1 3.2Å; D140-R143 PolarHBondContact OD1-NH1 3.1Å; R143-D207 PolarHBondContact NH2-O 3.33Å | ||
| 144 | V | 54.5 | Low | 61.5 | Low | 46 Ų | 46 | 75.8 Ų | 75.8 | 28% | 0.279 | 40% | 0.4 | S | S | . | . | trans | -119.4 | 119 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | P174 | V144-P174 HydrophobicContact CG2-CB 4.44Å; V144-P174 HydrophobicContact CG2-CG 3.87Å | ||
| 145 | D | 48.1 | Very low | 59.2 | Low | 158 Ų | 158 | 76.5 Ų | 76.5 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | trans | -61.9 | 147 | 177.1 | -93.2 | -43 | 0 | 0 | 0 | 112.1 | I147 | D145-I147 PolarHBondContact O-N 3.12Š| ||
| 146 | K | 45.4 | Very low | 56.7 | Low | 189 Ų | 189 | 83.1 Ų | 83.1 | 82% | 0.822 | 44% | 0.441 | S | S | * | . | trans | -29.8 | 111.7 | -170.9 | -67.7 | 175.7 | 178.5 | 175.1 | 0 | 114.9 | ||||
| 147 | I | 47.6 | Very low | 54.3 | Low | 40 Ų | 40 | 86 Ų | 86 | 21% | 0.205 | 46% | 0.458 | C | S | . | . | trans | -57 | 131.8 | 163.6 | -57.6 | 175.5 | 0 | 0 | 0 | 108 | D145 S149 K151 L152 M155 L307 | D145-I147 PolarHBondContact O-N 3.12Å; I147-S149 PolarHBondContact O-N 2.93Å; I147-K151 HydrophobicContact CG2-CB 3.95Å; I147-L152 HydrophobicContact CB-CD1 4.19Å; I147-L152 HydrophobicContact CB-CG 4.29Å; I147-L152 HydrophobicContact CG2-CD1 4.32Å; I147-L152 HydrophobicContact CG2-CG 4.06Å; I147-L152 WeakPolarHBondContact O-CD1 3.44Å; I147-M155 HydrophobicContact CD1-SD 4.11Å; I147-L307 HydrophobicContact CD1-CD1 4.14Å | ||
| 148 | P | 44.7 | Very low | 51.9 | Low | 74 Ų | 74 | 90.3 Ų | 90.3 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | trans | -56.8 | 139.4 | 174.7 | -25.7 | 34.8 | 0 | 0 | 0 | 111.7 | D150 K151 L152 | P148-D150 PolarHBondContact O-N 2.92Å; P148-K151 PolarHBondContact O-N 3.35Å; P148-L152 PolarHBondContact O-N 3.05Å | ||
| 149 | S | 45.2 | Very low | 49.5 | Very low | 88 Ų | 88 | 94.3 Ų | 94.3 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -45.2 | -40.1 | 177.1 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | I147 K151 L152 | I147-S149 PolarHBondContact O-N 2.93Å; S149-K151 VanDerWaalsContact C-N 3.26Å; S149-K151 PolarHBondContact O-N 3.24Å; S149-L152 PolarHBondContact O-N 3.39Å |
| 150 | D | 48.7 | Very low | 47.3 | Very low | 132 Ų | 132 | 103.8 Ų | 103.8 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.2 | -19.3 | -171.2 | -46.6 | -4.3 | 0 | 0 | 0 | 111.7 | P148 | P148-D150 PolarHBondContact O-N 2.92Å |
| 151 | K | 44.8 | Very low | 45.4 | Very low | 87 Ų | 87 | 110.3 Ų | 110.3 | 38% | 0.378 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -93.1 | -25.1 | 172.1 | -79.6 | -164.1 | 166.9 | -165.9 | 0 | 113.6 | I147 P148 S149 A153 E154 V167 | I147-K151 HydrophobicContact CG2-CB 3.95Å; P148-K151 PolarHBondContact O-N 3.35Å; S149-K151 VanDerWaalsContact C-N 3.26Å; S149-K151 PolarHBondContact O-N 3.24Å; K151-A153 PolarHBondContact O-N 2.98Å; K151-E154 PolarHBondContact O-N 3.14Å; K151-V167 PolarHBondContact NZ-O 3.05Å |
| 152 | L | 39.9 | Very low | 43.9 | Very low | 81 Ų | 81 | 114.1 Ų | 114.1 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.1 | -28.7 | 175.4 | -91.6 | 141 | 0 | 0 | 0 | 112.2 | I147 P148 S149 E154 | I147-L152 HydrophobicContact CB-CD1 4.19Å; I147-L152 HydrophobicContact CB-CG 4.29Å; I147-L152 HydrophobicContact CG2-CD1 4.32Å; I147-L152 HydrophobicContact CG2-CG 4.06Å; I147-L152 WeakPolarHBondContact O-CD1 3.44Å; P148-L152 PolarHBondContact O-N 3.05Å; S149-L152 PolarHBondContact O-N 3.39Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.44Å |
| 153 | A | 45 | Very low | 42.5 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 78% | 0.777 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -14.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | K151 | K151-A153 PolarHBondContact O-N 2.98Š|
| 154 | E | 42.8 | Very low | 41.4 | Very low | 150 Ų | 150 | 114.4 Ų | 114.4 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -7.5 | 179.1 | -62 | -170.9 | 137.7 | 0 | 0 | 113.3 | K151 L152 D156 | K151-E154 PolarHBondContact O-N 3.14Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.44Å; E154-D156 VanDerWaalsContact C-N 3.34Å; E154-D156 PolarHBondContact O-N 2.81Å |
| 155 | M | 40.2 | Very low | 40.9 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 37% | 0.365 | 61% | 0.61 | S | S | . | * | trans | -87 | 67.1 | -174.5 | -69.7 | -172.6 | 62.4 | 0 | 0 | 112.7 | I147 | I147-M155 HydrophobicContact CD1-SD 4.11Š| ||
| 156 | D | 35 | Very low | 40.8 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 75% | 0.749 | 60% | 0.601 | S | S | * | * | trans | -72.2 | 159.7 | 179.5 | -148.3 | -13.3 | 0 | 0 | 0 | 113.2 | E154 T158 | E154-D156 VanDerWaalsContact C-N 3.34Å; E154-D156 PolarHBondContact O-N 2.81Å; D156-T158 PolarHBondContact O-N 2.72Å | ||
| 157 | I | 34.9 | Very low | 40.9 | Very low | 147 Ų | 147 | 110.5 Ų | 110.5 | 75% | 0.754 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -72.6 | 125.7 | -160.7 | -60.5 | 169.6 | 0 | 0 | 0 | 111.7 | ||
| 158 | T | 31.5 | Very low | 40.8 | Very low | 127 Ų | 127 | 110.6 Ų | 110.6 | 78% | 0.779 | 58% | 0.581 | S | S | * | * | trans | 80 | 72.3 | -177.6 | 66.6 | 0 | 0 | 0 | 0 | 118.3 | D156 | D156-T158 PolarHBondContact O-N 2.72Š| ||
| 159 | P | 33 | Very low | 40.7 | Very low | 84 Ų | 84 | 110 Ų | 110 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | trans | -74.2 | 135 | 168.8 | 30.7 | -34.1 | 0 | 0 | 0 | 112.4 | Y164 | P159-Y164 HydrophobicContact CB-CD2 4.4Å; P159-Y164 HydrophobicContact CB-CE2 4.19Å; P159-Y164 HydrophobicContact CG-CD2 4.5Å; P159-Y164 HydrophobicContact CG-CE2 3.85Å | ||
| 160 | R | 32 | Very low | 40.8 | Very low | 201 Ų | 201 | 113.9 Ų | 113.9 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | trans | -75.8 | 149.9 | 163.4 | -70.5 | 178.5 | 175.6 | 172.7 | -0.7 | 109.6 | Q162 D163 | R160-Q162 PolarHBondContact O-N 2.7Å; R160-D163 PolarHBondContact O-N 3.05Å | ||
| 161 | F | 34.9 | Very low | 40.5 | Very low | 206 Ų | 206 | 112.5 Ų | 112.5 | 90% | 0.904 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -9.2 | -177.1 | -117.3 | -84.4 | 0 | 0 | 0 | 115.9 | ||
| 162 | Q | 40.1 | Very low | 40.6 | Very low | 155 Ų | 155 | 115.9 Ų | 115.9 | 72% | 0.724 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -19.5 | -176.2 | -70.7 | 179.5 | -32.9 | 0 | 0 | 114.6 | R160 S165 | R160-Q162 PolarHBondContact O-N 2.7Å; Q162-S165 PolarHBondContact O-OG 2.8Å |
| 163 | D | 41.4 | Very low | 41.2 | Very low | 72 Ų | 72 | 117 Ų | 117 | 39% | 0.385 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -16.2 | -177.4 | -67.2 | -64.3 | 0 | 0 | 0 | 113.6 | R160 S165 K166 | R160-D163 PolarHBondContact O-N 3.05Å; D163-S165 PolarHBondContact O-N 2.89Å; D163-K166 PolarHBondContact O-N 2.68Å; D163-K166 IonicContact OD1-NZ 2.81Å; D163-K166 PolarHBondContact OD1-NZ 3.42Å |
| 164 | Y | 40.6 | Very low | 41.7 | Very low | 58 Ų | 58 | 114.8 Ų | 114.8 | 23% | 0.227 | 61% | 0.605 | C | S | . | * | H | α-helix | trans | -53.5 | -36.7 | 176.6 | -114.2 | -84 | 0 | 0 | 0 | 113.7 | P159 K166 M168 W299 | P159-Y164 HydrophobicContact CB-CD2 4.4Å; P159-Y164 HydrophobicContact CB-CE2 4.19Å; P159-Y164 HydrophobicContact CG-CD2 4.5Å; P159-Y164 HydrophobicContact CG-CE2 3.85Å; Y164-K166 VanDerWaalsContact C-N 3.29Å; Y164-K166 PolarHBondContact O-N 3.28Å; Y164-M168 HydrophobicContact CD1-CG 4.29Å; Y164-M168 PolarHBondContact O-N 3.36Å; Y164-W299 HydrophobicContact CE1-CD2 4.17Å; Y164-W299 HydrophobicContact CE1-CE3 4.14Å; Y164-W299 AromaticContact CE1-CH2 3.89Å; Y164-W299 HydrophobicContact CE1-CH2 3.89Å; Y164-W299 AromaticContact CE1-CZ2 3.91Å; Y164-W299 HydrophobicContact CE1-CZ2 3.91Å; Y164-W299 HydrophobicContact CE1-CZ3 4Å; Y164-W299 AromaticContact CZ-CD2 3.89Å; Y164-W299 VanDerWaalsContact OH-CE3 3.26Å |
| 165 | S | 44.1 | Very low | 42.7 | Very low | 94 Ų | 94 | 109.5 Ų | 109.5 | 66% | 0.657 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.9 | -18.6 | -178.9 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | Q162 D163 | Q162-S165 PolarHBondContact O-OG 2.8Å; D163-S165 PolarHBondContact O-N 2.89Å |
| 166 | K | 45.5 | Very low | 44 | Very low | 151 Ų | 151 | 110 Ų | 110 | 66% | 0.657 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.4 | -40.7 | 177.1 | -63.6 | 172.2 | -171.9 | 155.9 | 0 | 112 | D163 Y164 | D163-K166 PolarHBondContact O-N 2.68Å; D163-K166 IonicContact OD1-NZ 2.81Å; D163-K166 PolarHBondContact OD1-NZ 3.42Å; Y164-K166 VanDerWaalsContact C-N 3.29Å; Y164-K166 PolarHBondContact O-N 3.28Å |
| 167 | V | 47.6 | Very low | 46.1 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 40% | 0.4 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -78.1 | -33.8 | -172.8 | -175 | 0 | 0 | 0 | 0 | 112 | K151 G169 | K151-V167 PolarHBondContact NZ-O 3.05Å; V167-G169 PolarHBondContact O-N 3.36Å |
| 168 | M | 45.1 | Very low | 48.5 | Very low | 42 Ų | 42 | 96.5 Ų | 96.5 | 21% | 0.207 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5.4 | -177.5 | -74.1 | -68.1 | -72.9 | 0 | 0 | 115.1 | Y164 N170 L171 | Y164-M168 HydrophobicContact CD1-CG 4.29Å; Y164-M168 PolarHBondContact O-N 3.36Å; M168-N170 PolarHBondContact O-N 3.19Å; M168-L171 HydrophobicContact CE-CB 3.84Å; M168-L171 HydrophobicContact CE-CD1 4.35Å; M168-L171 PolarHBondContact O-N 3.42Å; M168-L171 HydrophobicContact SD-CD1 4.35Å |
| 169 | G | 42.1 | Very low | 51.2 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 62% | 0.619 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 10.8 | -162.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | V167 | V167-G169 PolarHBondContact O-N 3.36Š|
| 170 | N | 47.9 | Very low | 54 | Low | 170 Ų | 170 | 86.6 Ų | 86.6 | 91% | 0.909 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | 8.3 | 171.5 | -84.7 | -28.2 | 0 | 0 | 0 | 113.2 | M168 | M168-N170 PolarHBondContact O-N 3.19Š|
| 171 | L | 43.1 | Very low | 56.9 | Low | 104 Ų | 104 | 77 Ų | 77 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -120.7 | 130.6 | -178.9 | -76.3 | 164.7 | 0 | 0 | 0 | 110.2 | M168 | M168-L171 HydrophobicContact CE-CB 3.84Å; M168-L171 HydrophobicContact CE-CD1 4.35Å; M168-L171 PolarHBondContact O-N 3.42Å; M168-L171 HydrophobicContact SD-CD1 4.35Å |
| 172 | N | 45.3 | Very low | 59.6 | Low | 157 Ų | 157 | 67.2 Ų | 67.2 | 84% | 0.84 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 129.2 | 171.2 | -71.2 | -16.6 | 0 | 0 | 0 | 109 | ||
| 173 | P | 52.1 | Low | 61.9 | Low | 105 Ų | 105 | 60 Ų | 60 | 68% | 0.682 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 143.9 | 175.2 | 28.6 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 174 | P | 57 | Low | 64 | Low | 47 Ų | 47 | 56.6 Ų | 56.6 | 31% | 0.305 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 142.4 | 175.8 | 26.5 | -34.5 | 0 | 0 | 0 | 110.6 | V144 | V144-P174 HydrophobicContact CG2-CB 4.44Å; V144-P174 HydrophobicContact CG2-CG 3.87Å |
| 175 | P | 62.4 | Low | 66 | Low | 40 Ų | 40 | 54.3 Ų | 54.3 | 26% | 0.26 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -56 | 145.6 | -179 | 22.3 | -35.1 | 0 | 0 | 0 | 112.6 | H141 N177 | H141-P175 HydrophobicContact CB-CG 4.19Å; H141-P175 VanDerWaalsContact O-CD 3.31Å; H141-P175 WeakPolarHBondContact O-CD 3.41Å; P175-N177 PolarHBondContact O-N 2.91Å |
| 176 | T | 68.8 | Low | 67.8 | Low | 84 Ų | 84 | 49.9 Ų | 49.9 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -65.1 | -26.9 | 179.2 | 39.9 | 0 | 0 | 0 | 0 | 113.2 | R296 P332 | T176-R296 PolarHBondContact O-NH1 2.59Å; T176-R296 PolarHBondContact O-NH2 3.28Å; T176-P332 WeakPolarHBondContact O-CA 3.16Å |
| 177 | N | 79 | Confident | 69.5 | Low | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 152.9 | -174.6 | 52.5 | -46.1 | 0 | 0 | 0 | 110.5 | P175 W179 S329 L331 G333 F335 T350 | P175-N177 PolarHBondContact O-N 2.91Å; N177-W179 PolarHBondContact ND2-NE1 2.89Å; N177-S329 PolarHBondContact ND2-O 2.81Å; N177-L331 WeakPolarHBondContact CB-O 3.25Å; N177-L331 PolarHBondContact ND2-O 3.2Å; N177-G333 WeakPolarHBondContact CA-O 3.37Å; N177-G333 VanDerWaalsContact CB-O 3.22Å; N177-G333 WeakPolarHBondContact CB-O 3.46Å; N177-F335 HydrophobicContact CB-CE2 4.34Å; N177-T350 PolarHBondContact ND2-OG1 2.8Å; N177-T350 WeakPolarHBondContact O-CB 3.44Å; N177-T350 WeakPolarHBondContact O-CG2 3.35Å |
| 178 | A | 84.2 | Confident | 71.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 151.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L138 H141 F142 G333 F335 | L138-A178 HydrophobicContact CG-CB 4.15Å; H141-A178 HydrophobicContact CB-CB 4.36Å; F142-A178 HydrophobicContact CE2-CB 3.77Å; F142-A178 HydrophobicContact CZ-CB 3.78Å; A178-G333 PolarHBondContact N-O 3.23Å; A178-F335 PolarHBondContact O-N 2.76Å |
| 179 | W | 89.6 | Confident | 73.1 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.011 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136 | -167.5 | -65.9 | 82.7 | 0 | 0 | 0 | 112.3 | N177 L328 F335 V337 L345 V348 T350 V352 D353 | N177-W179 PolarHBondContact ND2-NE1 2.89Å; W179-L328 HydrophobicContact CH2-CB 3.74Å; W179-L328 HydrophobicContact CH2-CD1 4.37Å; W179-L328 HydrophobicContact CZ2-CB 4.18Å; W179-F335 CarbonylContact C-O 3.58Å; W179-F335 WeakPolarHBondContact CA-O 3.17Å; W179-F335 HydrophobicContact CD2-CB 3.64Å; W179-F335 HydrophobicContact CD2-CD2 4.11Å; W179-F335 HydrophobicContact CD2-CG 4.08Å; W179-F335 AromaticContact CE2-CD2 3.7Å; W179-F335 HydrophobicContact CE3-CB 3.33Å; W179-F335 HydrophobicContact CE3-CD2 4.41Å; W179-F335 AromaticContact CE3-CG 3.93Å; W179-F335 HydrophobicContact CE3-CG 3.93Å; W179-F335 HydrophobicContact CG-CB 4.31Å; W179-F335 HydrophobicContact CH2-CB 4.04Å; W179-F335 AromaticContact CH2-CD1 3.85Å; W179-F335 HydrophobicContact CH2-CD1 3.85Å; W179-F335 AromaticContact CH2-CD2 3.95Å; W179-F335 HydrophobicContact CH2-CD2 3.95Å; W179-F335 HydrophobicContact CH2-CE1 4.27Å; W179-F335 HydrophobicContact CH2-CE2 4.36Å; W179-F335 AromaticContact CH2-CG 3.68Å; W179-F335 HydrophobicContact CH2-CG 3.68Å; W179-F335 HydrophobicContact CZ2-CB 4.32Å; W179-F335 HydrophobicContact CZ2-CD1 4.36Å; W179-F335 AromaticContact CZ2-CD2 3.62Å; W179-F335 HydrophobicContact CZ2-CD2 3.62Å; W179-F335 AromaticContact CZ2-CE2 3.94Å; W179-F335 HydrophobicContact CZ2-CE2 3.94Å; W179-F335 AromaticContact CZ2-CG 3.85Å; W179-F335 HydrophobicContact CZ2-CG 3.85Å; W179-F335 HydrophobicContact CZ2-CZ 4.43Å; W179-F335 HydrophobicContact CZ3-CB 3.56Å; W179-F335 HydrophobicContact CZ3-CD1 4.03Å; W179-F335 HydrophobicContact CZ3-CD2 4.35Å; W179-F335 AromaticContact CZ3-CG 3.74Å; W179-F335 HydrophobicContact CZ3-CG 3.74Å; W179-V337 HydrophobicContact CE3-CG2 3.85Å; W179-V337 HydrophobicContact CZ3-CG2 3.84Å; W179-L345 HydrophobicContact CB-CD1 4.03Å; W179-L345 HydrophobicContact CD2-CD1 4.16Å; W179-L345 HydrophobicContact CE3-CD1 3.59Å; W179-L345 HydrophobicContact CE3-CD2 3.89Å; W179-L345 HydrophobicContact CE3-CG 4.4Å; W179-L345 HydrophobicContact CG-CD1 4.37Å; W179-L345 HydrophobicContact CZ3-CD1 4.41Å; W179-L345 HydrophobicContact CZ3-CD2 3.91Å; W179-V348 HydrophobicContact CD2-CG1 4.34Å; W179-V348 HydrophobicContact CG-CG1 4.19Å; W179-T350 PolarHBondContact NE1-OG1 3.16Å; W179-V352 HydrophobicContact CB-CB 4.38Å; W179-V352 HydrophobicContact CB-CG1 4.26Å; W179-V352 HydrophobicContact CB-CG2 4.02Å; W179-V352 CarbonylContact O-C 3.53Å; W179-V352 WeakPolarHBondContact O-CA 3.33Å; W179-D353 PolarHBondContact O-N 3.22Å |
| 180 | L | 91.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 111.4 | 171.6 | 172 | 57.6 | 0 | 0 | 0 | 110.1 | K134 L135 L138 I182 F335 L336 V337 D353 | K134-L180 HydrophobicContact CB-CD1 4.16Å; K134-L180 HydrophobicContact CB-CD2 4.02Å; K134-L180 HydrophobicContact CD-CD1 4.19Å; L135-L180 HydrophobicContact CD2-CD2 4.2Å; L135-L180 HydrophobicContact CG-CD2 4.33Å; L138-L180 HydrophobicContact CD1-CB 3.56Å; L180-I182 HydrophobicContact CG-CG1 4.39Å; L180-F335 PolarHBondContact N-O 3.08Å; L180-L336 HydrophobicContact CD2-CD1 4.16Å; L180-L336 CarbonylContact O-C 3.56Å; L180-L336 WeakPolarHBondContact O-CA 3.41Å; L180-V337 PolarHBondContact O-N 3.46Å; L180-D353 HydrophobicContact CD1-CB 3.82Å |
| 181 | L | 91.8 | Very high | 77.1 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.3 | 175.5 | 177.4 | 60.4 | 0 | 0 | 0 | 111 | H183 V337 L342 I344 L345 V352 D353 R354 L355 | L181-H183 HydrophobicContact CG-CB 4.4Å; L181-V337 HydrophobicContact CD1-CB 4.25Å; L181-V337 HydrophobicContact CD1-CG1 4.03Å; L181-L342 VanDerWaalsContact CD2-O 3.28Å; L181-L342 WeakPolarHBondContact CD2-O 3.35Å; L181-I344 HydrophobicContact CD1-CG2 3.52Å; L181-I344 HydrophobicContact CD2-CG2 4.11Å; L181-I344 HydrophobicContact CG-CG2 4.49Å; L181-L345 HydrophobicContact CB-CD1 4.23Å; L181-V352 HydrophobicContact CB-CG1 4.02Å; L181-D353 PolarHBondContact N-O 3.46Å; L181-R354 HydrophobicContact CB-CG 4.5Å; L181-R354 CarbonylContact O-C 3.49Å; L181-R354 WeakPolarHBondContact O-CA 3.21Å; L181-L355 PolarHBondContact O-N 3.32Å |
| 182 | I | 91.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 109.6 | 171.3 | -57.2 | 179.5 | 0 | 0 | 0 | 107.8 | L131 L180 K190 S194 L336 V337 T338 S339 L355 L357 | L131-I182 HydrophobicContact CD1-CD1 3.58Å; L131-I182 HydrophobicContact CG-CD1 4.27Å; L180-I182 HydrophobicContact CG-CG1 4.39Å; I182-K190 HydrophobicContact CG2-CB 4.1Å; I182-K190 HydrophobicContact CG2-CG 4.33Å; I182-S194 VanDerWaalsContact CD1-OG 3.29Å; I182-S194 WeakPolarHBondContact CD1-OG 3.38Å; I182-L336 HydrophobicContact CD1-CD1 3.92Å; I182-L336 HydrophobicContact CD1-CD2 4.03Å; I182-L336 HydrophobicContact CD1-CG 4.04Å; I182-V337 PolarHBondContact N-O 2.89Å; I182-T338 WeakPolarHBondContact O-CA 3.46Å; I182-S339 PolarHBondContact O-N 3.07Å; I182-L355 HydrophobicContact CD1-CD2 4.47Å; I182-L355 HydrophobicContact CG1-CB 4.27Å; I182-L355 HydrophobicContact CG1-CD2 4.29Å; I182-L355 HydrophobicContact CG2-CD2 4.49Å; I182-L357 HydrophobicContact CG2-CD1 3.5Å; I182-L357 HydrophobicContact CG2-CG 4.28Å |
| 183 | H | 89 | Confident | 81.4 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 166.6 | -177.6 | 78 | 84.2 | 0 | 0 | 0 | 111.7 | L181 S339 L355 H356 L357 H358 | L181-H183 HydrophobicContact CG-CB 4.4Å; H183-S339 WeakPolarHBondContact CA-O 3.26Å; H183-L355 PolarHBondContact CD2-O 3.47Å; H183-L355 PolarHBondContact N-O 2.96Å; H183-H356 AromaticContact CE1-CE1 3.22Å; H183-H356 PolarHBondContact CE1-CE1 3.07Å; H183-H356 AromaticContact CE1-CG 3.22Å; H183-H356 AromaticContact CE1-ND1 2.64Å; H183-H356 PolarHBondContact CE1-ND1 2.85Å; H183-H356 AromaticContact CE1-NE2 3.98Å; H183-H356 WeakPolarHBondContact NE2-CB 3.36Å; H183-H356 AromaticContact NE2-CD2 2.23Å; H183-H356 PolarHBondContact NE2-CD2 3.01Å; H183-H356 AromaticContact NE2-CE1 2.42Å; H183-H356 PolarHBondContact NE2-CE1 3.29Å; H183-H356 AromaticContact NE2-CG 2.42Å; H183-H356 AromaticContact NE2-ND1 2.54Å; H183-H356 PolarHBondContact NE2-ND1 2.82Å; H183-H356 AromaticContact NE2-NE2 2.21Å; H183-H356 PolarHBondContact NE2-NE2 2.74Å; H183-L357 WeakPolarHBondContact O-CB 3.33Å; H183-L357 PolarHBondContact O-N 3.43Å; H183-H358 AromaticContact CE1-CD2 3.85Å; H183-H358 AromaticContact CE1-CE1 3.36Å; H183-H358 PolarHBondContact CE1-CE1 3.12Å; H183-H358 AromaticContact CE1-NE2 2.71Å; H183-H358 PolarHBondContact CE1-NE2 2.71Å |
| 184 | G | 84.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | 176.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | K190 L357 S515 | G184-K190 PolarHBondContact O-NZ 2.81Å; G184-L357 WeakPolarHBondContact CA-O 3.41Å; G184-S515 VanDerWaalsContact C-CB 3.45Å; G184-S515 WeakPolarHBondContact O-CB 3.28Å; G184-S515 PolarHBondContact O-OG 2.88Å |
| 185 | S | 83 | Confident | 84.6 | Confident | 11 Ų | 11 | 14.2 Ų | 14.2 | 8% | 0.077 | 10% | 0.095 | C | C | . | . | trans | -60.6 | 157.6 | -174.3 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | G187 S188 K190 | S185-G187 PolarHBondContact O-N 2.79Å; S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 PolarHBondContact O-OG 3Å; S185-S188 VanDerWaalsContact O-OG 3.04Å; S185-S188 WeakPolarHBondContact OG-CB 3.39Å; S185-K190 PolarHBondContact O-NZ 3.39Å | ||
| 186 | P | 83.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.9 | 164.8 | -23.8 | 34.5 | 0 | 0 | 0 | 110.8 | S188 A460 F461 S464 | P186-S188 PolarHBondContact O-N 3.49Å; P186-A460 HydrophobicContact CB-CB 4.03Å; P186-F461 HydrophobicContact CB-CD1 4.38Å; P186-F461 HydrophobicContact CB-CE1 4.36Å; P186-F461 HydrophobicContact CG-CD1 3.9Å; P186-F461 HydrophobicContact CG-CE1 4.03Å; P186-S464 WeakPolarHBondContact CG-OG 3.44Å |
| 187 | G | 79.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 8.4 Ų | 8.4 | 6% | 0.062 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | -1.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | S185 G189 F410 Y452 | S185-G187 PolarHBondContact O-N 2.79Å; G187-G189 PolarHBondContact O-N 3.03Å; G187-G189 VanDerWaalsContact O-N 3.08Å; G187-F410 PolarHBondContact O-N 3.35Å; G187-Y452 PolarHBondContact N-OH 3.21Å |
| 188 | S | 83.8 | Confident | 86.9 | Confident | 17 Ų | 17 | 8.5 Ų | 8.5 | 12% | 0.119 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -73.1 | 8.8 | 179.9 | 68.3 | 0 | 0 | 0 | 0 | 116.2 | S185 P186 K190 | S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 PolarHBondContact O-OG 3Å; S185-S188 VanDerWaalsContact O-OG 3.04Å; S185-S188 WeakPolarHBondContact OG-CB 3.39Å; P186-S188 PolarHBondContact O-N 3.49Å; S188-K190 PolarHBondContact O-N 2.68Å |
| 189 | G | 84.2 | Confident | 86.8 | Confident | 25 Ų | 25 | 11.5 Ų | 11.5 | 26% | 0.258 | 7% | 0.07 | S | C | . | . | trans | 80.3 | 10 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | G187 S191 V192 L193 | G187-G189 PolarHBondContact O-N 3.03Å; G187-G189 VanDerWaalsContact O-N 3.08Å; G189-S191 VanDerWaalsContact C-N 3.32Å; G189-S191 PolarHBondContact O-N 2.92Å; G189-S191 VanDerWaalsContact O-N 3.15Å; G189-V192 WeakPolarHBondContact O-CA 3.15Å; G189-V192 WeakPolarHBondContact O-CB 3.27Å; G189-V192 PolarHBondContact O-N 2.92Å; G189-L193 PolarHBondContact O-N 3.02Å | ||
| 190 | K | 87.9 | Confident | 86.2 | Confident | 7 Ų | 7 | 14.4 Ų | 14.4 | 3% | 0.03 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -41.5 | -51.8 | -179.7 | -55.5 | -173.2 | -76.8 | -89.6 | 0 | 114.6 | I182 G184 S185 S188 S194 S339 L357 | I182-K190 HydrophobicContact CG2-CB 4.1Å; I182-K190 HydrophobicContact CG2-CG 4.33Å; G184-K190 PolarHBondContact O-NZ 2.81Å; S185-K190 PolarHBondContact O-NZ 3.39Å; S188-K190 PolarHBondContact O-N 2.68Å; K190-S194 PolarHBondContact O-N 3.18Å; K190-S194 VanDerWaalsContact O-N 3.12Å; K190-S194 PolarHBondContact O-OG 2.73Å; K190-S339 WeakPolarHBondContact CD-O 3.35Å; K190-S339 WeakPolarHBondContact CE-O 3.36Å; K190-S339 PolarHBondContact NZ-O 3.12Å; K190-L357 HydrophobicContact CB-CD1 4.28Å; K190-L357 HydrophobicContact CG-CD1 4Å |
| 191 | S | 87.9 | Confident | 85.4 | Confident | 26 Ų | 26 | 16.3 Ų | 16.3 | 18% | 0.182 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.3 | -38.9 | -179.8 | -42.5 | 0 | 0 | 0 | 0 | 111.9 | G189 S194 A195 W215 D317 | G189-S191 VanDerWaalsContact C-N 3.32Å; G189-S191 PolarHBondContact O-N 2.92Å; G189-S191 VanDerWaalsContact O-N 3.15Å; S191-S194 PolarHBondContact O-N 3.35Å; S191-A195 WeakPolarHBondContact O-CB 3.23Å; S191-A195 PolarHBondContact O-N 2.77Å; S191-W215 WeakPolarHBondContact O-CH2 3.13Å; S191-D317 VanDerWaalsContact CB-OD1 3.25Å; S191-D317 WeakPolarHBondContact CB-OD1 3.33Å; S191-D317 PolarHBondContact OG-OD1 2.78Å |
| 192 | V | 88.3 | Confident | 84.3 | Confident | 54 Ų | 54 | 18.7 Ų | 18.7 | 33% | 0.327 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 178 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | P118 Y121 G189 A195 S196 | P118-V192 HydrophobicContact CG-CG1 3.9Å; Y121-V192 HydrophobicContact CD2-CG1 3.83Å; Y121-V192 HydrophobicContact CE2-CG1 3.85Å; G189-V192 WeakPolarHBondContact O-CA 3.15Å; G189-V192 WeakPolarHBondContact O-CB 3.27Å; G189-V192 PolarHBondContact O-N 2.92Å; V192-A195 PolarHBondContact O-N 3.33Å; V192-S196 WeakPolarHBondContact O-CB 3.48Å; V192-S196 PolarHBondContact O-N 3.22Å; V192-S196 PolarHBondContact O-OG 3.12Å |
| 193 | L | 88.8 | Confident | 83.5 | Confident | 15 Ų | 15 | 22.8 Ų | 22.8 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 175.3 | -175.9 | 72.5 | 0 | 0 | 0 | 111.2 | L127 V128 L131 G189 A195 S196 V197 L355 L357 | L127-L193 HydrophobicContact CB-CD1 3.76Å; L127-L193 HydrophobicContact CB-CD2 4Å; V128-L193 HydrophobicContact CG2-CD1 4.1Å; L131-L193 HydrophobicContact CD1-CD2 3.78Å; L131-L193 HydrophobicContact CD1-CG 3.89Å; G189-L193 PolarHBondContact O-N 3.02Å; L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.23Å; L193-S196 PolarHBondContact O-N 3.08Å; L193-S196 VanDerWaalsContact O-N 3.14Å; L193-S196 PolarHBondContact O-OG 2.78Å; L193-S196 VanDerWaalsContact O-OG 3.04Å; L193-V197 WeakPolarHBondContact O-CG2 3.35Å; L193-V197 PolarHBondContact O-N 3.33Å; L193-V197 VanDerWaalsContact O-N 3.13Å; L193-L355 HydrophobicContact CD2-CD2 4.49Å; L193-L357 HydrophobicContact CD2-CD1 3.84Å; L193-L357 HydrophobicContact CD2-CD2 3.97Å |
| 194 | S | 89.2 | Confident | 83 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | -179.8 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | I182 K190 S191 L198 | I182-S194 VanDerWaalsContact CD1-OG 3.29Å; I182-S194 WeakPolarHBondContact CD1-OG 3.38Å; K190-S194 PolarHBondContact O-N 3.18Å; K190-S194 VanDerWaalsContact O-N 3.12Å; K190-S194 PolarHBondContact O-OG 2.73Å; S191-S194 PolarHBondContact O-N 3.35Å; S194-L198 VanDerWaalsContact O-CD1 3.3Å; S194-L198 WeakPolarHBondContact O-CD1 2.99Å; S194-L198 WeakPolarHBondContact O-CG 3.39Å |
| 195 | A | 88.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.2 | -30.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V114 P115 S191 V192 L193 R199 W215 | V114-A195 HydrophobicContact CG1-CB 4.36Å; P115-A195 HydrophobicContact CB-CB 4.4Å; S191-A195 WeakPolarHBondContact O-CB 3.23Å; S191-A195 PolarHBondContact O-N 2.77Å; V192-A195 PolarHBondContact O-N 3.33Å; L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.23Å; A195-R199 WeakPolarHBondContact O-CB 3.37Å; A195-R199 WeakPolarHBondContact O-CD 3.04Å; A195-R199 WeakPolarHBondContact O-CG 3.48Å; A195-R199 PolarHBondContact O-N 2.99Å; A195-W215 HydrophobicContact CB-CH2 4.16Å; A195-W215 HydrophobicContact CB-CZ3 4.07Å |
| 196 | S | 85.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.4 | -43.1 | -178.4 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | Y121 V192 L193 R199 Q200 | Y121-S196 WeakPolarHBondContact OH-CB 3.33Å; Y121-S196 PolarHBondContact OH-OG 3.35Å; V192-S196 WeakPolarHBondContact O-CB 3.48Å; V192-S196 PolarHBondContact O-N 3.22Å; V192-S196 PolarHBondContact O-OG 3.12Å; L193-S196 PolarHBondContact O-N 3.08Å; L193-S196 VanDerWaalsContact O-N 3.14Å; L193-S196 PolarHBondContact O-OG 2.78Å; L193-S196 VanDerWaalsContact O-OG 3.04Å; S196-R199 CarbonylContact O-C 3.58Å; S196-R199 PolarHBondContact O-N 2.93Å; S196-R199 VanDerWaalsContact O-N 3.1Å; S196-Q200 VanDerWaalsContact O-CG 3.31Å; S196-Q200 WeakPolarHBondContact O-CG 3.43Å; S196-Q200 PolarHBondContact O-N 2.84Å; S196-Q200 PolarHBondContact O-OE1 3.19Å; S196-Q200 VanDerWaalsContact O-OE1 3.12Å |
| 197 | V | 87.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -50.4 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | V128 L131 L135 L193 R199 Q200 E201 | V128-V197 HydrophobicContact CB-CG2 4.17Å; V128-V197 HydrophobicContact CG1-CG2 4.03Å; V128-V197 HydrophobicContact CG2-CG2 4.14Å; L131-V197 HydrophobicContact CB-CG2 4.19Å; L131-V197 HydrophobicContact CD1-CG2 4.39Å; L131-V197 HydrophobicContact CD2-CB 4.13Å; L131-V197 HydrophobicContact CD2-CG1 4.06Å; L131-V197 HydrophobicContact CD2-CG2 4.04Å; L131-V197 HydrophobicContact CG-CG2 4.44Å; L135-V197 HydrophobicContact CD1-CG1 4.47Å; L193-V197 WeakPolarHBondContact O-CG2 3.35Å; L193-V197 PolarHBondContact O-N 3.33Å; L193-V197 VanDerWaalsContact O-N 3.13Å; V197-R199 PolarHBondContact O-N 3.07Å; V197-R199 VanDerWaalsContact O-N 3.1Å; V197-Q200 PolarHBondContact O-N 3.43Å; V197-E201 PolarHBondContact O-N 2.62Å |
| 198 | L | 85.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -25.3 | 177.4 | -60.9 | 166.4 | 0 | 0 | 0 | 113.1 | L109 V114 L135 S194 L205 V213 L313 I315 | L109-L198 HydrophobicContact CD2-CB 4.33Å; V114-L198 HydrophobicContact CG1-CD1 4.17Å; L135-L198 HydrophobicContact CD1-CD2 4.25Å; S194-L198 VanDerWaalsContact O-CD1 3.3Å; S194-L198 WeakPolarHBondContact O-CD1 2.99Å; S194-L198 WeakPolarHBondContact O-CG 3.39Å; L198-L205 HydrophobicContact CD2-CD2 3.94Å; L198-L205 WeakPolarHBondContact O-CD1 3.23Å; L198-V213 HydrophobicContact CD1-CG1 4.41Å; L198-L313 HydrophobicContact CD2-CD2 4.08Å; L198-I315 HydrophobicContact CD1-CD1 3.47Å; L198-I315 VanDerWaalsContact CD1-CD1 3.47Å |
| 199 | R | 81.7 | Confident | 81 | Confident | 64 Ų | 64 | 30.1 Ų | 30.1 | 24% | 0.242 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 3.5 | 178.6 | -70.3 | 173.6 | 171.8 | -97.6 | 9.5 | 113.7 | L109 V114 P115 D116 A195 S196 V197 | L109-R199 HydrophobicContact CD1-CG 4.09Å; V114-R199 PolarHBondContact O-NH2 3.44Å; P115-R199 PolarHBondContact O-NE 2.91Å; P115-R199 PolarHBondContact O-NH2 2.79Å; D116-R199 VanDerWaalsContact CG-NH2 3.27Å; D116-R199 IonicContact OD1-CZ 2.72Å; D116-R199 IonicContact OD1-NH1 2.9Å; D116-R199 PolarHBondContact OD1-NH1 3.13Å; D116-R199 IonicContact OD1-NH2 3.84Å; D116-R199 PolarHBondContact OD1-NH2 2.84Å; D116-R199 IonicContact OD2-NH2 2.66Å; D116-R199 PolarHBondContact OD2-NH2 2.73Å; A195-R199 WeakPolarHBondContact O-CB 3.37Å; A195-R199 WeakPolarHBondContact O-CD 3.04Å; A195-R199 WeakPolarHBondContact O-CG 3.48Å; A195-R199 PolarHBondContact O-N 2.99Å; S196-R199 CarbonylContact O-C 3.58Å; S196-R199 PolarHBondContact O-N 2.93Å; S196-R199 VanDerWaalsContact O-N 3.1Å; V197-R199 PolarHBondContact O-N 3.07Å; V197-R199 VanDerWaalsContact O-N 3.1Å |
| 200 | Q | 77 | Confident | 80.4 | Confident | 64 Ų | 64 | 32.2 Ų | 32.2 | 30% | 0.299 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -48.5 | 175.6 | -74.3 | 169.3 | -63.9 | 0 | 0 | 110.4 | K117 N123 S196 V197 S202 | K117-Q200 VanDerWaalsContact NZ-CG 3.31Å; N123-Q200 PolarHBondContact OD1-NE2 3.17Å; S196-Q200 VanDerWaalsContact O-CG 3.31Å; S196-Q200 WeakPolarHBondContact O-CG 3.43Å; S196-Q200 PolarHBondContact O-N 2.84Å; S196-Q200 PolarHBondContact O-OE1 3.19Å; S196-Q200 VanDerWaalsContact O-OE1 3.12Å; V197-Q200 PolarHBondContact O-N 3.43Å; Q200-S202 PolarHBondContact O-N 3.19Å; Q200-S202 VanDerWaalsContact O-N 3.16Å |
| 201 | E | 72.7 | Confident | 79.4 | Confident | 41 Ų | 41 | 33 Ų | 33 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | trans | -94.1 | 73.1 | -173.5 | -63.8 | -178.2 | -173.1 | 0 | 0 | 111.2 | S132 V197 T203 L204 | S132-E201 WeakPolarHBondContact CB-OE1 3.38Å; S132-E201 WeakPolarHBondContact CB-OE2 3.28Å; S132-E201 PolarHBondContact OG-OE1 2.86Å; S132-E201 PolarHBondContact OG-OE2 3.29Å; V197-E201 PolarHBondContact O-N 2.62Å; E201-T203 PolarHBondContact O-N 2.96Å; E201-L204 HydrophobicContact CB-CB 3.92Å; E201-L204 WeakPolarHBondContact O-CB 3.47Å; E201-L204 PolarHBondContact O-N 2.91Å | ||
| 202 | S | 70.5 | Confident | 78.9 | Confident | 51 Ų | 51 | 32.1 Ų | 32.1 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.6 | -31.7 | 174.2 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | Q200 L205 V206 | Q200-S202 PolarHBondContact O-N 3.19Å; Q200-S202 VanDerWaalsContact O-N 3.16Å; S202-L205 PolarHBondContact O-N 3.29Å; S202-V206 WeakPolarHBondContact O-CG2 3.45Å; S202-V206 PolarHBondContact O-N 2.99Å |
| 203 | T | 74.2 | Confident | 78.8 | Confident | 86 Ų | 86 | 29.7 Ų | 29.7 | 53% | 0.528 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 172.3 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | E201 L205 V206 D207 | E201-T203 PolarHBondContact O-N 2.96Å; T203-L205 VanDerWaalsContact C-N 3.27Å; T203-L205 PolarHBondContact O-N 2.97Å; T203-V206 PolarHBondContact O-N 2.72Å; T203-V206 VanDerWaalsContact O-N 3.07Å; T203-D207 WeakPolarHBondContact O-CB 3.45Å; T203-D207 PolarHBondContact O-N 2.65Å |
| 204 | L | 78.5 | Confident | 78.8 | Confident | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -33.3 | -178.3 | -175.6 | 147.5 | 0 | 0 | 0 | 112.1 | L135 E201 C208 F209 | L135-L204 HydrophobicContact CB-CD1 3.85Å; L135-L204 HydrophobicContact CB-CD2 4.16Å; L135-L204 HydrophobicContact CD1-CD1 4.41Å; L135-L204 HydrophobicContact CD1-CD2 3.89Å; E201-L204 HydrophobicContact CB-CB 3.92Å; E201-L204 WeakPolarHBondContact O-CB 3.47Å; E201-L204 PolarHBondContact O-N 2.91Å; L204-C208 VanDerWaalsContact O-CB 3.25Å; L204-C208 WeakPolarHBondContact O-CB 3.05Å; L204-C208 PolarHBondContact O-N 3.14Å; L204-C208 VanDerWaalsContact O-N 3.14Å; L204-F209 HydrophobicContact CD2-CD2 3.87Å; L204-F209 HydrophobicContact CD2-CE2 3.9Å; L204-F209 PolarHBondContact O-N 3.14Å |
| 205 | L | 75.6 | Confident | 78.8 | Confident | 12 Ų | 12 | 29.6 Ų | 29.6 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 172.1 | -66.3 | 177.7 | 0 | 0 | 0 | 112.3 | L105 L109 L198 S202 T203 F209 V213 | L105-L205 HydrophobicContact CD2-CB 4.19Å; L105-L205 HydrophobicContact CD2-CD1 4.4Å; L109-L205 HydrophobicContact CD1-CD1 3.99Å; L109-L205 HydrophobicContact CD2-CD1 3.99Å; L109-L205 HydrophobicContact CG-CD1 4.07Å; L198-L205 HydrophobicContact CD2-CD2 3.94Å; L198-L205 WeakPolarHBondContact O-CD1 3.23Å; S202-L205 PolarHBondContact O-N 3.29Å; T203-L205 VanDerWaalsContact C-N 3.27Å; T203-L205 PolarHBondContact O-N 2.97Å; L205-F209 CarbonylContact O-C 3.59Å; L205-F209 PolarHBondContact O-N 3.3Å; L205-V213 HydrophobicContact CD2-CG2 3.66Å |
| 206 | V | 72.8 | Confident | 78.8 | Confident | 55 Ų | 55 | 30 Ų | 30 | 33% | 0.333 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.5 | -45.9 | -178 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | L105 S202 T203 | L105-V206 HydrophobicContact CD1-CG2 4.11Å; L105-V206 HydrophobicContact CD2-CG2 4.04Å; S202-V206 WeakPolarHBondContact O-CG2 3.45Å; S202-V206 PolarHBondContact O-N 2.99Å; T203-V206 PolarHBondContact O-N 2.72Å; T203-V206 VanDerWaalsContact O-N 3.07Å |
| 207 | D | 71.1 | Confident | 78.8 | Confident | 101 Ų | 101 | 35 Ų | 35 | 54% | 0.54 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -86.4 | -32 | -170.1 | -60.9 | -30.1 | 0 | 0 | 0 | 113 | R143 T203 | R143-D207 PolarHBondContact NH2-O 3.33Å; T203-D207 WeakPolarHBondContact O-CB 3.45Å; T203-D207 PolarHBondContact O-N 2.65Å |
| 208 | C | 75.3 | Confident | 78.6 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -111.9 | -29.8 | -172.9 | -64.3 | 0 | 0 | 0 | 0 | 114.2 | A139 L204 P210 | A139-C208 HydrophobicContact CB-CB 3.56Å; L204-C208 VanDerWaalsContact O-CB 3.25Å; L204-C208 WeakPolarHBondContact O-CB 3.05Å; L204-C208 PolarHBondContact O-N 3.14Å; L204-C208 VanDerWaalsContact O-N 3.14Å; C208-P210 VanDerWaalsContact C-CD 3.42Å |
| 209 | F | 78.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | trans | -131.3 | 50.5 | -177.3 | -57.1 | -74 | 0 | 0 | 0 | 114.7 | L135 L138 A139 L204 L205 G211 G212 L311 L313 A334 | L135-F209 HydrophobicContact CB-CE2 4.2Å; L135-F209 HydrophobicContact CD2-CE2 4.13Å; L135-F209 HydrophobicContact CD2-CZ 4.13Å; L138-F209 HydrophobicContact CD2-CE1 4.07Å; L138-F209 HydrophobicContact CD2-CZ 4.08Å; A139-F209 HydrophobicContact CB-CE1 4.43Å; A139-F209 HydrophobicContact CB-CZ 4.09Å; L204-F209 HydrophobicContact CD2-CD2 3.87Å; L204-F209 HydrophobicContact CD2-CE2 3.9Å; L204-F209 PolarHBondContact O-N 3.14Å; L205-F209 CarbonylContact O-C 3.59Å; L205-F209 PolarHBondContact O-N 3.3Å; F209-G211 PolarHBondContact O-N 3.25Å; F209-G212 PolarHBondContact O-N 2.78Å; F209-L311 CarbonylContact C-O 3.6Å; F209-L311 WeakPolarHBondContact CA-O 3.43Å; F209-L311 HydrophobicContact CD1-CB 4.4Å; F209-L311 HydrophobicContact CD1-CD2 3.85Å; F209-L311 HydrophobicContact CD1-CG 3.95Å; F209-L311 HydrophobicContact CE1-CD2 3.58Å; F209-L311 HydrophobicContact CE1-CG 4.09Å; F209-L313 HydrophobicContact CB-CB 4.48Å; F209-L313 HydrophobicContact CD1-CB 3.68Å; F209-L313 HydrophobicContact CD1-CG 4.47Å; F209-L313 HydrophobicContact CD2-CD2 4.41Å; F209-L313 HydrophobicContact CE1-CB 4.07Å; F209-L313 HydrophobicContact CE1-CD1 4.02Å; F209-L313 HydrophobicContact CE1-CG 4.45Å; F209-L313 HydrophobicContact CE2-CD2 4.42Å; F209-L313 HydrophobicContact CG-CB 4.04Å; F209-L313 HydrophobicContact CG-CD2 4.5Å; F209-L313 HydrophobicContact CZ-CD1 4.27Å; F209-A334 HydrophobicContact CE1-CB 3.91Å | ||
| 210 | P | 71 | Confident | 78 | Confident | 68 Ų | 68 | 35.5 Ų | 35.5 | 44% | 0.442 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4.9 | -178.2 | 28.6 | -36 | 0 | 0 | 0 | 114.5 | C208 G212 | C208-P210 VanDerWaalsContact C-CD 3.42Å; P210-G212 VanDerWaalsContact C-N 3.31Å |
| 211 | G | 67.2 | Low | 77.9 | Confident | 24 Ų | 24 | 33 Ų | 33 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -4.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F209 L311 L312 | F209-G211 PolarHBondContact O-N 3.25Å; G211-L311 VanDerWaalsContact CA-O 3.24Å; G211-L311 WeakPolarHBondContact CA-O 3.35Å; G211-L311 PolarHBondContact N-O 3.17Å; G211-L312 VanDerWaalsContact O-CD1 3.28Å; G211-L312 WeakPolarHBondContact O-CD1 3.31Å |
| 212 | G | 77.3 | Confident | 77.7 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | trans | 94.5 | -174.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F209 P210 L313 | F209-G212 PolarHBondContact O-N 2.78Å; P210-G212 VanDerWaalsContact C-N 3.31Å; G212-L313 PolarHBondContact O-N 2.92Å | ||
| 213 | V | 85.8 | Confident | 76.9 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.4 | -176.7 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | G112 V114 L198 L205 L313 I315 | G112-V213 WeakPolarHBondContact CA-O 3.29Å; V114-V213 HydrophobicContact CG2-CB 4.34Å; V114-V213 HydrophobicContact CG2-CG1 3.91Å; L198-V213 HydrophobicContact CD1-CG1 4.41Å; L205-V213 HydrophobicContact CD2-CG2 3.66Å; V213-L313 CarbonylContact C-O 3.51Å; V213-L313 WeakPolarHBondContact CA-O 3.32Å; V213-L313 HydrophobicContact CG1-CB 4.41Å; V213-L313 HydrophobicContact CG1-CD2 4.29Å; V213-L313 HydrophobicContact CG1-CG 4.44Å; V213-L313 HydrophobicContact CG2-CB 4.32Å; V213-L313 HydrophobicContact CG2-CD2 4.41Å; V213-I315 HydrophobicContact CG1-CD1 3.52Å; V213-I315 HydrophobicContact CG1-CG1 4.25Å |
| 214 | I | 87.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.2 | 169.9 | -66.7 | 171.3 | 0 | 0 | 0 | 108.4 | V249 L252 L312 L313 I315 | I214-V249 HydrophobicContact CD1-CB 4.28Å; I214-V249 HydrophobicContact CD1-CG2 3.47Å; I214-V249 VanDerWaalsContact CD1-CG2 3.47Å; I214-L252 HydrophobicContact CD1-CD1 3.83Å; I214-L252 HydrophobicContact CG1-CD1 3.27Å; I214-L312 HydrophobicContact CD1-CD1 4.29Å; I214-L312 HydrophobicContact CD1-CD2 4.18Å; I214-L312 HydrophobicContact CG1-CD1 4.38Å; I214-L313 PolarHBondContact N-O 3.39Å; I214-I315 PolarHBondContact O-N 3.27Å |
| 215 | W | 89.9 | Confident | 73.8 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.9 | 169.6 | -168.5 | -71.7 | 0 | 0 | 0 | 111 | G112 V114 P115 S191 A195 R248 I315 D317 | G112-W215 PolarHBondContact O-N 3.1Å; V114-W215 HydrophobicContact CG1-CE3 3.99Å; V114-W215 HydrophobicContact CG1-CZ3 4.42Å; V114-W215 HydrophobicContact CG2-CB 4.22Å; P115-W215 VanDerWaalsContact CD-CE2 3.5Å; P115-W215 HydrophobicContact CG-CD2 4.02Å; P115-W215 HydrophobicContact CG-CG 4.34Å; P115-W215 HydrophobicContact CG-CZ2 3.98Å; S191-W215 WeakPolarHBondContact O-CH2 3.13Å; A195-W215 HydrophobicContact CB-CH2 4.16Å; A195-W215 HydrophobicContact CB-CZ3 4.07Å; W215-R248 PolarHBondContact O-NH1 3.04Å; W215-I315 HydrophobicContact CD2-CB 4.26Å; W215-I315 HydrophobicContact CD2-CG2 3.71Å; W215-I315 HydrophobicContact CE3-CB 4.07Å; W215-I315 HydrophobicContact CE3-CD1 3.56Å; W215-I315 HydrophobicContact CE3-CG1 4.4Å; W215-I315 HydrophobicContact CE3-CG2 3.57Å; W215-I315 HydrophobicContact CG-CG2 4.34Å; W215-I315 HydrophobicContact CH2-CG2 4.16Å; W215-I315 HydrophobicContact CZ2-CG2 4.28Å; W215-I315 HydrophobicContact CZ3-CD1 3.96Å; W215-I315 HydrophobicContact CZ3-CG2 3.82Å; W215-D317 HydrophobicContact CZ2-CB 3.88Å |
| 216 | M | 88.7 | Confident | 71.8 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 5% | 0.054 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 119.2 | 174.7 | -173.4 | 171.6 | 57.5 | 0 | 0 | 111.6 | F241 R244 L245 I315 L316 D317 | M216-F241 HydrophobicContact CE-CD2 3.87Å; M216-F241 HydrophobicContact CE-CE2 3.29Å; M216-F241 HydrophobicContact CE-CZ 3.8Å; M216-F241 HydrophobicContact SD-CE2 4.46Å; M216-R244 HydrophobicContact SD-CB 4.45Å; M216-L245 HydrophobicContact CE-CB 3.8Å; M216-L245 HydrophobicContact CE-CD1 3.73Å; M216-L245 HydrophobicContact CE-CG 3.59Å; M216-L245 HydrophobicContact SD-CB 4.36Å; M216-I315 PolarHBondContact N-O 2.92Å; M216-L316 HydrophobicContact CE-CD2 3.78Å; M216-L316 WeakPolarHBondContact O-CA 3.38Å; M216-D317 PolarHBondContact O-N 3.42Å |
| 217 | H | 86.3 | Confident | 69.9 | Low | 106 Ų | 106 | 58.3 Ų | 58.3 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 132.3 | 169.7 | -172.9 | 78.3 | 0 | 0 | 0 | 110.2 | D317 | H217-D317 IonicContact CE1-OD2 3.09Å; H217-D317 IonicContact CG-OD2 2.72Å; H217-D317 IonicContact ND1-OD2 2.68Å; H217-D317 PolarHBondContact ND1-OD2 2.76Å |
| 218 | V | 83.5 | Confident | 67.9 | Low | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -55.4 | -172 | -170.9 | 0 | 0 | 0 | 0 | 111 | L221 F241 L316 D317 V319 V324 | V218-L221 HydrophobicContact CG1-CD1 4.35Å; V218-L221 HydrophobicContact CG1-CD2 4.36Å; V218-L221 HydrophobicContact CG1-CG 4.27Å; V218-F241 HydrophobicContact CB-CE2 4.31Å; V218-F241 HydrophobicContact CG1-CD2 3.99Å; V218-F241 HydrophobicContact CG1-CE2 3.7Å; V218-F241 HydrophobicContact CG2-CE2 3.75Å; V218-L316 HydrophobicContact CG2-CB 3.96Å; V218-L316 HydrophobicContact CG2-CD2 4.26Å; V218-D317 PolarHBondContact N-O 3.26Å; V218-V319 HydrophobicContact CB-CG2 4.09Å; V218-V319 HydrophobicContact CG2-CG2 3.79Å; V218-V324 HydrophobicContact CG1-CG2 4.45Å |
| 219 | G | 77.5 | Confident | 65.8 | Low | 5 Ų | 5 | 64.2 Ų | 64.2 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.1 | -167.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D318 | G219-D318 VanDerWaalsContact CA-O 3.27Å; G219-D318 WeakPolarHBondContact CA-O 3.49Å; G219-D318 PolarHBondContact N-O 3.37Å |
| 220 | P | 75.9 | Confident | 63.6 | Low | 63 Ų | 63 | 68.8 Ų | 68.8 | 41% | 0.409 | 39% | 0.39 | S | S | . | . | trans | -75.1 | 120 | 170.4 | 29.8 | -32.3 | 0 | 0 | 0 | 111 | W320 | P220-W320 HydrophobicContact CB-CB 4.23Å; P220-W320 HydrophobicContact CB-CD2 4.05Å; P220-W320 HydrophobicContact CB-CE3 4.19Å; P220-W320 HydrophobicContact CB-CG 4.05Å; P220-W320 HydrophobicContact CG-CD2 4.4Å | ||
| 221 | L | 75.8 | Confident | 62.2 | Low | 11 Ų | 11 | 72.6 Ų | 72.6 | 6% | 0.058 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -85.1 | -22.3 | 171 | -58.4 | 179.3 | 0 | 0 | 0 | 111.5 | V218 N237 I238 F241 D321 V324 | V218-L221 HydrophobicContact CG1-CD1 4.35Å; V218-L221 HydrophobicContact CG1-CD2 4.36Å; V218-L221 HydrophobicContact CG1-CG 4.27Å; L221-N237 HydrophobicContact CB-CB 4.33Å; L221-N237 PolarHBondContact O-ND2 3.28Å; L221-I238 HydrophobicContact CD1-CG1 4.21Å; L221-F241 HydrophobicContact CD1-CB 4.22Å; L221-F241 HydrophobicContact CD1-CG 4.25Å; L221-F241 HydrophobicContact CD2-CB 4.4Å; L221-D321 WeakPolarHBondContact CA-OD2 3.28Å; L221-D321 WeakPolarHBondContact CB-OD2 3.46Å; L221-D321 PolarHBondContact N-OD2 2.96Å; L221-V324 HydrophobicContact CD1-CG2 3.61Å |
| 222 | F | 67.7 | Low | 61.1 | Low | 66 Ų | 66 | 75 Ų | 75 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -106.4 | 129.6 | 174.4 | -55.3 | -38.1 | 0 | 0 | 0 | 111.9 | P234 I238 D321 E323 | F222-P234 HydrophobicContact CD1-CB 3.83Å; F222-P234 HydrophobicContact CE1-CB 3.37Å; F222-P234 WeakPolarHBondContact CE1-O 3.38Å; F222-P234 HydrophobicContact CZ-CB 4.09Å; F222-I238 HydrophobicContact CE1-CD1 4.21Å; F222-I238 HydrophobicContact CE1-CG1 4.43Å; F222-I238 HydrophobicContact CZ-CD1 3.82Å; F222-I238 HydrophobicContact CZ-CG1 4.46Å; F222-D321 HydrophobicContact CD2-CB 3.97Å; F222-D321 WeakPolarHBondContact CD2-OD1 3.37Å; F222-D321 HydrophobicContact CE2-CB 3.98Å; F222-D321 PolarHBondContact N-OD2 2.88Å; F222-E323 HydrophobicContact CE2-CB 4.17Å; F222-E323 HydrophobicContact CE2-CG 3.93Å; F222-E323 HydrophobicContact CZ-CB 4.16Å; F222-E323 HydrophobicContact CZ-CG 4.05Å |
| 223 | L | 54.1 | Low | 59.6 | Low | 149 Ų | 149 | 81.7 Ų | 81.7 | 78% | 0.78 | 45% | 0.449 | S | S | * | . | trans | -99.6 | 125.3 | 173.8 | -91.2 | 156.2 | 0 | 0 | 0 | 109.7 | T225 | L223-T225 PolarHBondContact O-N 3.15Š| ||
| 224 | N | 49.1 | Very low | 58.1 | Low | 127 Ų | 127 | 84.4 Ų | 84.4 | 68% | 0.679 | 47% | 0.466 | S | S | * | . | trans | -74.4 | 68.5 | 177.5 | -83 | -13.5 | 0 | 0 | 0 | 112.1 | L226 | N224-L226 PolarHBondContact O-N 2.91Š| ||
| 225 | T | 38.6 | Very low | 56.9 | Low | 116 Ų | 116 | 91.9 Ų | 91.9 | 71% | 0.712 | 50% | 0.499 | S | S | * | . | trans | -85.2 | 102.5 | 167.6 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | L223 N227 | L223-T225 PolarHBondContact O-N 3.15Å; T225-N227 VanDerWaalsContact C-N 3.33Å; T225-N227 PolarHBondContact O-N 2.82Å | ||
| 226 | L | 34 | Very low | 56 | Low | 171 Ų | 171 | 96.8 Ų | 96.8 | 90% | 0.895 | 52% | 0.522 | S | S | * | . | trans | -69.1 | 84.7 | 169.7 | -76.5 | 162.8 | 0 | 0 | 0 | 110.8 | N224 | N224-L226 PolarHBondContact O-N 2.91Š| ||
| 227 | N | 32.4 | Very low | 55.4 | Low | 157 Ų | 157 | 99.3 Ų | 99.3 | 84% | 0.84 | 54% | 0.536 | S | S | * | . | trans | -148.7 | 149.2 | 162.5 | -92.3 | -41.5 | 0 | 0 | 0 | 109.4 | T225 | T225-N227 VanDerWaalsContact C-N 3.33Å; T225-N227 PolarHBondContact O-N 2.82Å | ||
| 228 | S | 30 | Very low | 54.9 | Low | 95 Ų | 95 | 94.7 Ų | 94.7 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | trans | -75.8 | 163.8 | -178.1 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 229 | D | 29.7 | Very low | 54.6 | Low | 142 Ų | 142 | 95.1 Ų | 95.1 | 76% | 0.759 | 52% | 0.517 | S | S | * | . | trans | 67.5 | 62.8 | 159.1 | -46.9 | -47.8 | 0 | 0 | 0 | 118.1 | ||||
| 230 | T | 32.8 | Very low | 54.8 | Low | 98 Ų | 98 | 99.6 Ų | 99.6 | 60% | 0.601 | 54% | 0.536 | S | S | * | . | trans | -162.1 | 112.3 | 142.6 | 6.3 | 0 | 0 | 0 | 0 | 113 | S232 Y233 | T230-S232 PolarHBondContact O-N 2.72Å; T230-Y233 HydrophobicContact CG2-CE2 4.25Å | ||
| 231 | V | 42.1 | Very low | 55.1 | Low | 148 Ų | 148 | 96.6 Ų | 96.6 | 90% | 0.897 | 52% | 0.517 | S | S | * | . | trans | -85.7 | 0.4 | -168.9 | -175.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 232 | S | 43.5 | Very low | 55.5 | Low | 74 Ų | 74 | 96.1 Ų | 96.1 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -93 | -32.4 | -166 | 45.9 | 0 | 0 | 0 | 0 | 116.4 | T230 P234 | T230-S232 PolarHBondContact O-N 2.72Å; S232-P234 VanDerWaalsContact C-CD 3.5Å |
| 233 | Y | 46.1 | Very low | 56.2 | Low | 148 Ų | 148 | 94.5 Ų | 94.5 | 58% | 0.58 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -40.7 | -166.8 | -72.2 | -73.9 | 0 | 0 | 0 | 118 | T230 K235 Q236 | T230-Y233 HydrophobicContact CG2-CE2 4.25Å; Y233-K235 PolarHBondContact O-N 2.72Å; Y233-K235 VanDerWaalsContact O-N 3.09Å; Y233-Q236 PolarHBondContact O-N 2.91Å |
| 234 | P | 55.8 | Low | 57.6 | Low | 60 Ų | 60 | 93 Ų | 93 | 39% | 0.39 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -26.1 | -168.4 | 21.3 | -32.7 | 0 | 0 | 0 | 114.5 | F222 S232 Q236 | F222-P234 HydrophobicContact CD1-CB 3.83Å; F222-P234 HydrophobicContact CE1-CB 3.37Å; F222-P234 WeakPolarHBondContact CE1-O 3.38Å; F222-P234 HydrophobicContact CZ-CB 4.09Å; S232-P234 VanDerWaalsContact C-CD 3.5Å; P234-Q236 PolarHBondContact O-N 3.03Å |
| 235 | K | 62.3 | Low | 59.3 | Low | 160 Ų | 160 | 87 Ų | 87 | 70% | 0.696 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.9 | -29.9 | -178 | -68.9 | -174.3 | 177.5 | -177.5 | 0 | 113.6 | Y233 I239 | Y233-K235 PolarHBondContact O-N 2.72Å; Y233-K235 VanDerWaalsContact O-N 3.09Å; K235-I239 WeakPolarHBondContact O-CG1 3.36Å; K235-I239 PolarHBondContact O-N 3.4Å; K235-I239 VanDerWaalsContact O-N 3.12Å |
| 236 | Q | 69.5 | Low | 61.4 | Low | 115 Ų | 115 | 82 Ų | 82 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | -176.2 | -79.8 | -175.7 | -45.5 | 0 | 0 | 112.7 | Y233 P234 I238 I239 Q240 | Y233-Q236 PolarHBondContact O-N 2.91Å; P234-Q236 PolarHBondContact O-N 3.03Å; Q236-I238 VanDerWaalsContact C-N 3.29Å; Q236-I238 PolarHBondContact O-N 2.9Å; Q236-I239 PolarHBondContact O-N 3.47Å; Q236-Q240 WeakPolarHBondContact O-CG 3.44Å; Q236-Q240 PolarHBondContact O-N 3.42Å |
| 237 | N | 75.7 | Confident | 63.6 | Low | 63 Ų | 63 | 79.6 Ų | 79.6 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | -178.9 | -65.5 | -0.3 | 0 | 0 | 0 | 111.8 | L221 F241 | L221-N237 HydrophobicContact CB-CB 4.33Å; L221-N237 PolarHBondContact O-ND2 3.28Å; N237-F241 WeakPolarHBondContact O-CB 3.34Å; N237-F241 PolarHBondContact O-N 2.83Å |
| 238 | I | 77.8 | Confident | 65.9 | Low | 10 Ų | 10 | 76.6 Ų | 76.6 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 172.6 | -63.9 | -179.6 | 0 | 0 | 0 | 111.1 | L221 F222 Q236 Q240 F241 V242 L279 E323 V327 | L221-I238 HydrophobicContact CD1-CG1 4.21Å; F222-I238 HydrophobicContact CE1-CD1 4.21Å; F222-I238 HydrophobicContact CE1-CG1 4.43Å; F222-I238 HydrophobicContact CZ-CD1 3.82Å; F222-I238 HydrophobicContact CZ-CG1 4.46Å; Q236-I238 VanDerWaalsContact C-N 3.29Å; Q236-I238 PolarHBondContact O-N 2.9Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 2.64Å; I238-F241 WeakPolarHBondContact O-CA 3.23Å; I238-F241 WeakPolarHBondContact O-CB 3.15Å; I238-F241 PolarHBondContact O-N 3.18Å; I238-V242 HydrophobicContact CG2-CG2 4.36Å; I238-V242 WeakPolarHBondContact O-CG2 3.15Å; I238-V242 PolarHBondContact O-N 3.36Å; I238-L279 HydrophobicContact CG2-CD1 3.71Å; I238-L279 HydrophobicContact CG2-CD2 4.37Å; I238-E323 HydrophobicContact CD1-CB 3.79Å; I238-V327 HydrophobicContact CG2-CG1 4.01Å; I238-V327 HydrophobicContact CG2-CG2 4.19Å |
| 239 | I | 76.5 | Confident | 68.1 | Low | 20 Ų | 20 | 72.2 Ų | 72.2 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 176.7 | -68.2 | 165.9 | 0 | 0 | 0 | 110.5 | K235 Q236 F241 V242 D243 L279 | K235-I239 WeakPolarHBondContact O-CG1 3.36Å; K235-I239 PolarHBondContact O-N 3.4Å; K235-I239 VanDerWaalsContact O-N 3.12Å; Q236-I239 PolarHBondContact O-N 3.47Å; I239-F241 VanDerWaalsContact C-N 3.26Å; I239-F241 PolarHBondContact O-N 3.3Å; I239-V242 PolarHBondContact O-N 2.85Å; I239-D243 WeakPolarHBondContact O-CB 3.38Å; I239-D243 PolarHBondContact O-N 3.13Å; I239-L279 HydrophobicContact CG1-CB 4.31Å; I239-L279 HydrophobicContact CG1-CD1 4.06Å |
| 240 | Q | 80.7 | Confident | 70.3 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -28.8 | 174.2 | -69.5 | 177.5 | 10.5 | 0 | 0 | 113.6 | Q236 I238 R244 | Q236-Q240 WeakPolarHBondContact O-CG 3.44Å; Q236-Q240 PolarHBondContact O-N 3.42Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 2.64Å; Q240-R244 WeakPolarHBondContact O-CB 3.42Å; Q240-R244 VanDerWaalsContact O-CG 3.23Å; Q240-R244 WeakPolarHBondContact O-CG 3.49Å; Q240-R244 PolarHBondContact O-N 3.03Å; Q240-R244 PolarHBondContact O-NE 3.32Å; Q240-R244 VanDerWaalsContact O-NE 3.11Å |
| 241 | F | 83.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.7 | -47.9 | 172.9 | 163.3 | -92.8 | 0 | 0 | 0 | 111.5 | M216 V218 L221 N237 I238 I239 D243 R244 L245 L316 V324 L328 | M216-F241 HydrophobicContact CE-CD2 3.87Å; M216-F241 HydrophobicContact CE-CE2 3.29Å; M216-F241 HydrophobicContact CE-CZ 3.8Å; M216-F241 HydrophobicContact SD-CE2 4.46Å; V218-F241 HydrophobicContact CB-CE2 4.31Å; V218-F241 HydrophobicContact CG1-CD2 3.99Å; V218-F241 HydrophobicContact CG1-CE2 3.7Å; V218-F241 HydrophobicContact CG2-CE2 3.75Å; L221-F241 HydrophobicContact CD1-CB 4.22Å; L221-F241 HydrophobicContact CD1-CG 4.25Å; L221-F241 HydrophobicContact CD2-CB 4.4Å; N237-F241 WeakPolarHBondContact O-CB 3.34Å; N237-F241 PolarHBondContact O-N 2.83Å; I238-F241 WeakPolarHBondContact O-CA 3.23Å; I238-F241 WeakPolarHBondContact O-CB 3.15Å; I238-F241 PolarHBondContact O-N 3.18Å; I239-F241 VanDerWaalsContact C-N 3.26Å; I239-F241 PolarHBondContact O-N 3.3Å; F241-D243 PolarHBondContact O-N 3.17Å; F241-R244 PolarHBondContact O-N 3.31Å; F241-L245 HydrophobicContact CE1-CD1 4.32Å; F241-L245 HydrophobicContact CZ-CD1 4.19Å; F241-L245 WeakPolarHBondContact O-CB 3.41Å; F241-L245 PolarHBondContact O-N 3.19Å; F241-L316 HydrophobicContact CE2-CD2 4.36Å; F241-L316 HydrophobicContact CZ-CD2 4.09Å; F241-V324 HydrophobicContact CE1-CG1 3.92Å; F241-V324 HydrophobicContact CZ-CG1 3.73Å; F241-L328 HydrophobicContact CE1-CD1 3.99Å; F241-L328 HydrophobicContact CE1-CD2 4.25Å; F241-L328 HydrophobicContact CE1-CG 4.36Å; F241-L328 HydrophobicContact CZ-CD1 4.07Å |
| 242 | V | 83.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 111 | I238 I239 L245 A246 L279 L283 L286 V327 | I238-V242 HydrophobicContact CG2-CG2 4.36Å; I238-V242 WeakPolarHBondContact O-CG2 3.15Å; I238-V242 PolarHBondContact O-N 3.36Å; I239-V242 PolarHBondContact O-N 2.85Å; V242-L245 PolarHBondContact O-N 3.06Å; V242-A246 WeakPolarHBondContact O-CB 3.4Å; V242-A246 PolarHBondContact O-N 2.81Å; V242-L279 HydrophobicContact CG2-CD1 4.14Å; V242-L283 HydrophobicContact CG1-CD2 4.25Å; V242-L283 HydrophobicContact CG2-CD2 4.4Å; V242-L286 HydrophobicContact CG1-CB 4.29Å; V242-L286 HydrophobicContact CG1-CD2 3.91Å; V242-V327 HydrophobicContact CG2-CG1 4.02Å |
| 243 | D | 82.2 | Confident | 73.6 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 175.7 | -75.3 | -5.7 | 0 | 0 | 0 | 111.9 | I239 F241 H247 S282 | I239-D243 WeakPolarHBondContact O-CB 3.38Å; I239-D243 PolarHBondContact O-N 3.13Å; F241-D243 PolarHBondContact O-N 3.17Å; D243-H247 WeakPolarHBondContact O-CB 3.43Å; D243-H247 PolarHBondContact O-N 2.87Å; D243-S282 WeakPolarHBondContact OD1-CB 3.29Å; D243-S282 PolarHBondContact OD1-OG 3.33Å |
| 244 | R | 84.5 | Confident | 73.4 | Confident | 117 Ų | 117 | 59.9 Ų | 59.9 | 44% | 0.442 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 173 | -81.4 | -177.7 | -66.7 | 154.1 | -2.9 | 112.2 | M216 Q240 F241 H247 R248 | M216-R244 HydrophobicContact SD-CB 4.45Å; Q240-R244 WeakPolarHBondContact O-CB 3.42Å; Q240-R244 VanDerWaalsContact O-CG 3.23Å; Q240-R244 WeakPolarHBondContact O-CG 3.49Å; Q240-R244 PolarHBondContact O-N 3.03Å; Q240-R244 PolarHBondContact O-NE 3.32Å; Q240-R244 VanDerWaalsContact O-NE 3.11Å; F241-R244 PolarHBondContact O-N 3.31Å; R244-H247 PolarHBondContact O-N 3.5Å; R244-R248 PolarHBondContact O-N 3.04Å; R244-R248 VanDerWaalsContact O-N 3.11Å |
| 245 | L | 84.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 177.8 | -154.4 | 172.4 | 0 | 0 | 0 | 110.2 | M216 F241 V242 H247 R248 V249 L286 L316 L328 | M216-L245 HydrophobicContact CE-CB 3.8Å; M216-L245 HydrophobicContact CE-CD1 3.73Å; M216-L245 HydrophobicContact CE-CG 3.59Å; M216-L245 HydrophobicContact SD-CB 4.36Å; F241-L245 HydrophobicContact CE1-CD1 4.32Å; F241-L245 HydrophobicContact CZ-CD1 4.19Å; F241-L245 WeakPolarHBondContact O-CB 3.41Å; F241-L245 PolarHBondContact O-N 3.19Å; V242-L245 PolarHBondContact O-N 3.06Å; L245-H247 VanDerWaalsContact C-N 3.32Å; L245-H247 PolarHBondContact O-N 2.94Å; L245-R248 PolarHBondContact O-N 3.16Å; L245-V249 HydrophobicContact CD2-CG2 3.7Å; L245-V249 WeakPolarHBondContact O-CG2 3.4Å; L245-V249 PolarHBondContact O-N 3.28Å; L245-L286 HydrophobicContact CB-CD2 4.45Å; L245-L286 HydrophobicContact CD1-CD2 4.25Å; L245-L286 HydrophobicContact CD2-CD1 3.74Å; L245-L286 HydrophobicContact CD2-CD2 4.02Å; L245-L286 HydrophobicContact CG-CD2 4.48Å; L245-L316 HydrophobicContact CD1-CD2 4.46Å; L245-L328 HydrophobicContact CD1-CD1 4.45Å; L245-L328 HydrophobicContact CD1-CD2 4.14Å |
| 246 | A | 82.1 | Confident | 71.3 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V242 N250 L286 | V242-A246 WeakPolarHBondContact O-CB 3.4Å; V242-A246 PolarHBondContact O-N 2.81Å; A246-N250 PolarHBondContact O-N 3.42Å; A246-N250 PolarHBondContact O-ND2 2.7Å; A246-L286 HydrophobicContact CB-CB 4.2Å; A246-L286 HydrophobicContact CB-CD1 4.27Å |
| 247 | H | 80.8 | Confident | 69.3 | Low | 121 Ų | 121 | 70.9 Ų | 70.9 | 56% | 0.56 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 175.7 | -166.5 | 53.8 | 0 | 0 | 0 | 111.6 | D243 R244 L245 N250 Q251 | D243-H247 WeakPolarHBondContact O-CB 3.43Å; D243-H247 PolarHBondContact O-N 2.87Å; R244-H247 PolarHBondContact O-N 3.5Å; L245-H247 VanDerWaalsContact C-N 3.32Å; L245-H247 PolarHBondContact O-N 2.94Å; H247-N250 PolarHBondContact O-N 3.21Å; H247-Q251 PolarHBondContact CD2-NE2 3.2Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.33Å; H247-Q251 PolarHBondContact NE2-NE2 2.83Å; H247-Q251 WeakPolarHBondContact O-CG 3.3Å; H247-Q251 PolarHBondContact O-N 2.99Å; H247-Q251 VanDerWaalsContact O-N 3.13Å |
| 248 | R | 79.3 | Confident | 66.9 | Low | 95 Ų | 95 | 75.7 Ų | 75.7 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 176.6 | -78.8 | -168.3 | 166 | -159.4 | -7.5 | 113.9 | W215 R244 L245 N250 Q251 L252 | W215-R248 PolarHBondContact O-NH1 3.04Å; R244-R248 PolarHBondContact O-N 3.04Å; R244-R248 VanDerWaalsContact O-N 3.11Å; L245-R248 PolarHBondContact O-N 3.16Å; R248-N250 PolarHBondContact O-N 3.4Å; R248-Q251 PolarHBondContact O-N 2.92Å; R248-Q251 VanDerWaalsContact O-N 3.1Å; R248-L252 PolarHBondContact O-N 3.33Å |
| 249 | V | 77.7 | Confident | 64.5 | Low | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.6 | -31.9 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | I214 L245 L286 L290 | I214-V249 HydrophobicContact CD1-CB 4.28Å; I214-V249 HydrophobicContact CD1-CG2 3.47Å; I214-V249 VanDerWaalsContact CD1-CG2 3.47Å; L245-V249 HydrophobicContact CD2-CG2 3.7Å; L245-V249 WeakPolarHBondContact O-CG2 3.4Å; L245-V249 PolarHBondContact O-N 3.28Å; V249-L286 HydrophobicContact CB-CD1 4.46Å; V249-L286 HydrophobicContact CG2-CD1 4Å; V249-L290 HydrophobicContact CG1-CD2 3.99Å; V249-L290 HydrophobicContact CG1-CG 4.47Å; V249-L290 HydrophobicContact CG2-CD2 3.94Å |
| 250 | N | 75.7 | Confident | 62 | Low | 68 Ų | 68 | 87.2 Ų | 87.2 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -83.8 | -21.5 | 177 | -72.1 | -66.2 | 0 | 0 | 0 | 113.6 | A246 H247 R248 S289 | A246-N250 PolarHBondContact O-N 3.42Å; A246-N250 PolarHBondContact O-ND2 2.7Å; H247-N250 PolarHBondContact O-N 3.21Å; R248-N250 PolarHBondContact O-N 3.4Å; N250-S289 PolarHBondContact ND2-OG 2.66Å; N250-S289 PolarHBondContact OD1-OG 3.23Å |
| 251 | Q | 71.6 | Confident | 59.5 | Low | 114 Ų | 114 | 89.6 Ų | 89.6 | 53% | 0.533 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -73.6 | -32.5 | 175.8 | -75.7 | 174.6 | -12.6 | 0 | 0 | 113.3 | H247 R248 G253 | H247-Q251 PolarHBondContact CD2-NE2 3.2Å; H247-Q251 VanDerWaalsContact CD2-NE2 3.33Å; H247-Q251 PolarHBondContact NE2-NE2 2.83Å; H247-Q251 WeakPolarHBondContact O-CG 3.3Å; H247-Q251 PolarHBondContact O-N 2.99Å; H247-Q251 VanDerWaalsContact O-N 3.13Å; R248-Q251 PolarHBondContact O-N 2.92Å; R248-Q251 VanDerWaalsContact O-N 3.1Å; Q251-G253 PolarHBondContact O-N 2.77Å |
| 252 | L | 63.8 | Low | 56.6 | Low | 17 Ų | 17 | 96.5 Ų | 96.5 | 9% | 0.089 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 121.1 | -175.8 | -110.3 | 151.5 | 0 | 0 | 0 | 112.6 | E111 I214 R248 K293 | E111-L252 HydrophobicContact CB-CD2 4.09Å; E111-L252 HydrophobicContact CB-CG 4.44Å; I214-L252 HydrophobicContact CD1-CD1 3.83Å; I214-L252 HydrophobicContact CG1-CD1 3.27Å; R248-L252 PolarHBondContact O-N 3.33Å; L252-K293 VanDerWaalsContact O-CE 3.31Å; L252-K293 WeakPolarHBondContact O-CE 3.4Å; L252-K293 PolarHBondContact O-NZ 2.94Å |
| 253 | G | 52.6 | Low | 53.8 | Low | 33 Ų | 33 | 104.2 Ų | 104.2 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 47.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117 | E111 Q251 H255 K293 | E111-G253 PolarHBondContact OE2-N 2.85Å; Q251-G253 PolarHBondContact O-N 2.77Å; G253-H255 VanDerWaalsContact C-N 3.3Å; G253-K293 PolarHBondContact O-NZ 2.77Å |
| 254 | D | 42.3 | Very low | 51 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -86.4 | 0.1 | 162.5 | -82.9 | 10.4 | 0 | 0 | 0 | 112.6 | K293 | D254-K293 IonicContact OD1-NZ 3.64Å; D254-K293 PolarHBondContact OD1-NZ 3.35Å |
| 255 | H | 38.9 | Very low | 48.2 | Very low | 176 Ų | 176 | 111.8 Ų | 111.8 | 82% | 0.815 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -92.3 | -2 | 178 | -74.6 | -44.7 | 0 | 0 | 0 | 115.9 | G253 | G253-H255 VanDerWaalsContact C-N 3.3Š|
| 256 | F | 33.5 | Very low | 45.3 | Very low | 184 Ų | 184 | 117.3 Ų | 117.3 | 81% | 0.807 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -89.1 | 8.5 | 178.6 | -95.3 | -79.8 | 0 | 0 | 0 | 115.2 | ||
| 257 | R | 27.6 | Very low | 42.7 | Very low | 206 Ų | 206 | 124 Ų | 124 | 78% | 0.777 | 64% | 0.639 | S | S | * | * | trans | -144.4 | 94.7 | 173.3 | -67.8 | -177.1 | -179.5 | -179.6 | 0.1 | 111 | ||||
| 258 | D | 26 | Very low | 40 | Very low | 165 Ų | 165 | 122.6 Ų | 122.6 | 88% | 0.882 | 64% | 0.643 | S | S | * | * | trans | -172.8 | 69.7 | 148.3 | -102.4 | -13.9 | 0 | 0 | 0 | 112.2 | ||||
| 259 | V | 26.9 | Very low | 37.4 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 76% | 0.758 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -136.9 | 118.5 | 159.4 | -172.8 | 0 | 0 | 0 | 0 | 107.7 | ||
| 260 | N | 25.1 | Very low | 34.9 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 72.2 | 83.3 | -178.7 | -47.4 | -42.6 | 0 | 0 | 0 | 116.9 | ||
| 261 | T | 26.9 | Very low | 32.8 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 91% | 0.914 | 71% | 0.713 | S | S | * | * | -164.6 | 159.2 | 112.8 | 14.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 262 | N | 24.1 | Very low | 30.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | trans | -88.8 | 141 | -173.5 | -73.2 | -45 | 0 | 0 | 0 | 112.7 | ||||
| 263 | Q | 24.3 | Very low | 29.5 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 53.3 | 135.5 | 137.4 | -62.3 | 175.8 | -10.8 | 0 | 0 | 120.1 | ||||
| 264 | N | 23.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 70.3 | 100.1 | 163.7 | -44.2 | -41.3 | 0 | 0 | 0 | 115.9 | ||||
| 265 | L | 25.7 | Very low | 29.2 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | -165.6 | 103.5 | 110.6 | -102.1 | 160 | 0 | 0 | 0 | 109.8 | D267 | L265-D267 PolarHBondContact O-N 3.26Š| |||
| 266 | S | 24.3 | Very low | 29.6 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -78.3 | 99.2 | 169.3 | 53.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 267 | D | 25.8 | Very low | 30.8 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -142.8 | 146.6 | 162.2 | -130.3 | -35 | 0 | 0 | 0 | 112.7 | L265 | L265-D267 PolarHBondContact O-N 3.26Š| ||
| 268 | S | 24.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | trans | -88.2 | 134.5 | -153.8 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 269 | L | 25.1 | Very low | 35 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | trans | -140.9 | 82.4 | 153.1 | -98.9 | 176.1 | 0 | 0 | 0 | 109.6 | F271 | L269-F271 HydrophobicContact CB-CE2 4.41Å; L269-F271 PolarHBondContact O-N 3.42Å | ||
| 270 | H | 26.3 | Very low | 37.3 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 82% | 0.815 | 67% | 0.67 | S | S | * | * | trans | -59.9 | 106.3 | 161.8 | -79 | -77.9 | 0 | 0 | 0 | 108.5 | P272 | H270-P272 VanDerWaalsContact O-CD 3.28Å; H270-P272 WeakPolarHBondContact O-CD 3.5Å | ||
| 271 | F | 31.7 | Very low | 39.8 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -74.3 | 111.6 | 158.2 | -78.6 | -81.6 | 0 | 0 | 0 | 107.2 | L269 | L269-F271 HydrophobicContact CB-CE2 4.41Å; L269-F271 PolarHBondContact O-N 3.42Å | ||
| 272 | P | 29.1 | Very low | 42.3 | Very low | 77 Ų | 77 | 112.8 Ų | 112.8 | 50% | 0.5 | 61% | 0.611 | S | S | . | * | trans | -70.4 | 141.7 | -170.9 | 28.5 | -35 | 0 | 0 | 0 | 110.7 | H270 S274 | H270-P272 VanDerWaalsContact O-CD 3.28Å; H270-P272 WeakPolarHBondContact O-CD 3.5Å; P272-S274 WeakPolarHBondContact CG-OG 3.32Å; P272-S274 PolarHBondContact O-N 3.47Å | ||
| 273 | T | 36.1 | Very low | 45.1 | Very low | 156 Ų | 156 | 107.4 Ų | 107.4 | 96% | 0.957 | 58% | 0.582 | S | S | * | * | trans | -71.9 | 60.6 | 160.6 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 274 | S | 40.8 | Very low | 47.6 | Very low | 56 Ų | 56 | 103.1 Ų | 103.1 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | trans | -112.3 | 119.2 | 172 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | P272 S276 R285 | P272-S274 WeakPolarHBondContact CG-OG 3.32Å; P272-S274 PolarHBondContact O-N 3.47Å; S274-S276 PolarHBondContact O-N 3.25Å; S274-R285 PolarHBondContact O-NH1 2.85Å | ||
| 275 | H | 46.9 | Very low | 50.3 | Low | 160 Ų | 160 | 100.2 Ų | 100.2 | 74% | 0.741 | 54% | 0.54 | S | S | * | . | trans | -51.9 | 128.7 | 164.9 | -65.5 | -64.6 | 0 | 0 | 0 | 108.9 | L277 | H275-L277 PolarHBondContact O-N 2.97Š| ||
| 276 | S | 48.3 | Very low | 53.1 | Low | 10 Ų | 10 | 92.3 Ų | 92.3 | 7% | 0.07 | 50% | 0.499 | C | S | . | . | trans | -66.4 | 132.9 | 179.9 | -51.4 | 0 | 0 | 0 | 0 | 110.2 | S274 T278 S282 R285 | S274-S276 PolarHBondContact O-N 3.25Å; S276-T278 VanDerWaalsContact CB-O 3.23Å; S276-T278 WeakPolarHBondContact CB-O 3.44Å; S276-T278 PolarHBondContact O-N 2.93Å; S276-S282 WeakPolarHBondContact CB-OG 3.47Å; S276-S282 PolarHBondContact OG-OG 2.83Å; S276-R285 PolarHBondContact OG-NH1 2.84Å; S276-R285 VanDerWaalsContact OG-NH1 3.14Å | ||
| 277 | L | 57.8 | Low | 55.8 | Low | 172 Ų | 172 | 91.4 Ų | 91.4 | 90% | 0.901 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -72.9 | -20.5 | 173.3 | -79.2 | 152.5 | 0 | 0 | 0 | 112.1 | H275 | H275-L277 PolarHBondContact O-N 2.97Š|
| 278 | T | 65.1 | Low | 58.2 | Low | 56 Ų | 56 | 91.2 Ų | 91.2 | 34% | 0.344 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -124.7 | 151 | -178.5 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | S276 D280 D281 | S276-T278 VanDerWaalsContact CB-O 3.23Å; S276-T278 WeakPolarHBondContact CB-O 3.44Å; S276-T278 PolarHBondContact O-N 2.93Å; T278-D280 VanDerWaalsContact C-N 3.33Å; T278-D281 VanDerWaalsContact OG1-CB 3.3Å; T278-D281 WeakPolarHBondContact OG1-CB 3.37Å; T278-D281 PolarHBondContact OG1-N 2.79Å; T278-D281 PolarHBondContact OG1-OD1 3.02Å |
| 279 | L | 76.7 | Confident | 60.8 | Low | 44 Ų | 44 | 87.2 Ų | 87.2 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 174.7 | 180 | 59.8 | 0 | 0 | 0 | 111.6 | I238 I239 V242 D281 S282 L283 V327 | I238-L279 HydrophobicContact CG2-CD1 3.71Å; I238-L279 HydrophobicContact CG2-CD2 4.37Å; I239-L279 HydrophobicContact CG1-CB 4.31Å; I239-L279 HydrophobicContact CG1-CD1 4.06Å; V242-L279 HydrophobicContact CG2-CD1 4.14Å; L279-D281 VanDerWaalsContact C-N 3.34Å; L279-D281 PolarHBondContact O-N 2.84Å; L279-S282 PolarHBondContact O-N 3.14Å; L279-L283 HydrophobicContact CD1-CG 4.45Å; L279-L283 HydrophobicContact CG-CD1 4.04Å; L279-L283 HydrophobicContact CG-CG 4.37Å; L279-L283 WeakPolarHBondContact O-CG 3.31Å; L279-L283 PolarHBondContact O-N 2.61Å; L279-V327 HydrophobicContact CD1-CG1 4.14Å; L279-V327 HydrophobicContact CD2-CG1 4.31Å; L279-V327 HydrophobicContact CD2-CG2 3.88Å |
| 280 | D | 76.8 | Confident | 63.2 | Low | 113 Ų | 113 | 80.5 Ų | 80.5 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.9 | -35.1 | -176.9 | -49.1 | -64.1 | 0 | 0 | 0 | 112 | T278 L283 E284 | T278-D280 VanDerWaalsContact C-N 3.33Å; D280-L283 PolarHBondContact O-N 3.33Å; D280-E284 WeakPolarHBondContact O-CB 3.36Å; D280-E284 PolarHBondContact O-N 3.17Å |
| 281 | D | 76.9 | Confident | 65.4 | Low | 87 Ų | 87 | 75.8 Ų | 75.8 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.1 | -77.7 | 20.3 | 0 | 0 | 0 | 111.4 | T278 L279 E284 R285 | T278-D281 VanDerWaalsContact OG1-CB 3.3Å; T278-D281 WeakPolarHBondContact OG1-CB 3.37Å; T278-D281 PolarHBondContact OG1-N 2.79Å; T278-D281 PolarHBondContact OG1-OD1 3.02Å; L279-D281 VanDerWaalsContact C-N 3.34Å; L279-D281 PolarHBondContact O-N 2.84Å; D281-E284 PolarHBondContact O-N 2.54Å; D281-R285 WeakPolarHBondContact O-CB 3.11Å; D281-R285 WeakPolarHBondContact O-CD 3.23Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 2.91Å |
| 282 | S | 79.5 | Confident | 67 | Low | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 111.9 | D243 S276 L279 L286 | D243-S282 WeakPolarHBondContact OD1-CB 3.29Å; D243-S282 PolarHBondContact OD1-OG 3.33Å; S276-S282 WeakPolarHBondContact CB-OG 3.47Å; S276-S282 PolarHBondContact OG-OG 2.83Å; L279-S282 PolarHBondContact O-N 3.14Å; S282-L286 WeakPolarHBondContact O-CB 3.31Å; S282-L286 PolarHBondContact O-N 2.98Å |
| 283 | L | 82.1 | Confident | 68.9 | Low | 31 Ų | 31 | 76 Ų | 76 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 176.2 | -77.3 | 174.9 | 0 | 0 | 0 | 112.4 | V242 L279 D280 L286 R287 V327 L331 | V242-L283 HydrophobicContact CG1-CD2 4.25Å; V242-L283 HydrophobicContact CG2-CD2 4.4Å; L279-L283 HydrophobicContact CD1-CG 4.45Å; L279-L283 HydrophobicContact CG-CD1 4.04Å; L279-L283 HydrophobicContact CG-CG 4.37Å; L279-L283 WeakPolarHBondContact O-CG 3.31Å; L279-L283 PolarHBondContact O-N 2.61Å; D280-L283 PolarHBondContact O-N 3.33Å; L283-L286 PolarHBondContact O-N 2.89Å; L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.32Å; L283-R287 PolarHBondContact O-N 2.74Å; L283-V327 HydrophobicContact CD1-CG1 4.23Å; L283-V327 HydrophobicContact CD2-CG1 3.83Å; L283-V327 VanDerWaalsContact CD2-O 3.3Å; L283-V327 WeakPolarHBondContact CD2-O 3.25Å; L283-V327 HydrophobicContact CG-CG1 4.37Å; L283-L331 HydrophobicContact CD2-CD1 4.06Å; L283-L331 HydrophobicContact CD2-CD2 4.37Å; L283-L331 HydrophobicContact CD2-CG 4.41Å |
| 284 | E | 78.2 | Confident | 70.2 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -73.8 | -34.6 | 178.9 | 177.4 | 60.4 | -176.8 | 0 | 0 | 112 | D280 D281 L286 R287 R288 | D280-E284 WeakPolarHBondContact O-CB 3.36Å; D280-E284 PolarHBondContact O-N 3.17Å; D281-E284 PolarHBondContact O-N 2.54Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-R287 PolarHBondContact O-N 2.9Å; E284-R287 WeakPolarHBondContact OE2-CD 3.38Å; E284-R288 WeakPolarHBondContact O-CB 3.29Å; E284-R288 VanDerWaalsContact O-CG 3.23Å; E284-R288 WeakPolarHBondContact O-CG 3.32Å; E284-R288 PolarHBondContact O-N 2.86Å; E284-R288 IonicContact OE1-CZ 3.17Å; E284-R288 IonicContact OE1-NE 3.54Å; E284-R288 PolarHBondContact OE1-NE 2.87Å; E284-R288 IonicContact OE1-NH2 2.77Å; E284-R288 PolarHBondContact OE1-NH2 2.9Å |
| 285 | R | 79.3 | Confident | 70.7 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 166.3 | -74.9 | 165.9 | 178.6 | -164.9 | -2.6 | 110.8 | S274 S276 D281 S289 | S274-R285 PolarHBondContact O-NH1 2.85Å; S276-R285 PolarHBondContact OG-NH1 2.84Å; S276-R285 VanDerWaalsContact OG-NH1 3.14Å; D281-R285 WeakPolarHBondContact O-CB 3.11Å; D281-R285 WeakPolarHBondContact O-CD 3.23Å; D281-R285 WeakPolarHBondContact O-CG 3.49Å; D281-R285 PolarHBondContact O-N 2.91Å; R285-S289 PolarHBondContact O-N 3.32Å; R285-S289 VanDerWaalsContact O-N 3.09Å; R285-S289 PolarHBondContact O-OG 3.08Å |
| 286 | L | 84 | Confident | 70.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 178.5 | 176.6 | 53.7 | 0 | 0 | 0 | 112 | V242 L245 A246 V249 S282 L283 E284 R288 S289 L290 L328 L331 | V242-L286 HydrophobicContact CG1-CB 4.29Å; V242-L286 HydrophobicContact CG1-CD2 3.91Å; L245-L286 HydrophobicContact CB-CD2 4.45Å; L245-L286 HydrophobicContact CD1-CD2 4.25Å; L245-L286 HydrophobicContact CD2-CD1 3.74Å; L245-L286 HydrophobicContact CD2-CD2 4.02Å; L245-L286 HydrophobicContact CG-CD2 4.48Å; A246-L286 HydrophobicContact CB-CB 4.2Å; A246-L286 HydrophobicContact CB-CD1 4.27Å; V249-L286 HydrophobicContact CB-CD1 4.46Å; V249-L286 HydrophobicContact CG2-CD1 4Å; S282-L286 WeakPolarHBondContact O-CB 3.31Å; S282-L286 PolarHBondContact O-N 2.98Å; L283-L286 PolarHBondContact O-N 2.89Å; E284-L286 VanDerWaalsContact C-N 3.34Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 3.03Å; L286-S289 WeakPolarHBondContact O-CB 3.45Å; L286-S289 PolarHBondContact O-N 2.83Å; L286-L290 HydrophobicContact CD1-CD1 3.89Å; L286-L290 HydrophobicContact CD1-CD2 4.34Å; L286-L290 HydrophobicContact CD1-CG 3.84Å; L286-L290 HydrophobicContact CG-CD1 3.93Å; L286-L290 HydrophobicContact CG-CG 4.35Å; L286-L290 WeakPolarHBondContact O-CG 3.31Å; L286-L290 PolarHBondContact O-N 2.93Å; L286-L328 HydrophobicContact CD2-CD2 4.37Å; L286-L331 HydrophobicContact CD2-CD1 3.5Å; L286-L331 HydrophobicContact CG-CD1 3.99Å |
| 287 | R | 81.3 | Confident | 69.9 | Low | 97 Ų | 97 | 72.9 Ų | 72.9 | 37% | 0.366 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.3 | -46.5 | 176.3 | -167 | -168.4 | -169.8 | 86.6 | 7.2 | 111.2 | L283 E284 L290 I291 N330 L331 | L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.32Å; L283-R287 PolarHBondContact O-N 2.74Å; E284-R287 PolarHBondContact O-N 2.9Å; E284-R287 WeakPolarHBondContact OE2-CD 3.38Å; R287-L290 PolarHBondContact O-N 3.3Å; R287-I291 HydrophobicContact CG-CD1 3.95Å; R287-I291 WeakPolarHBondContact O-CB 3.26Å; R287-I291 VanDerWaalsContact O-CG1 3.24Å; R287-I291 WeakPolarHBondContact O-CG1 3.37Å; R287-I291 PolarHBondContact O-N 2.9Å; R287-N330 PolarHBondContact NH1-O 3.13Å; R287-L331 HydrophobicContact CB-CD2 3.86Å; R287-L331 HydrophobicContact CG-CD2 4.34Å |
| 288 | R | 76.2 | Confident | 68.8 | Low | 145 Ų | 145 | 67.6 Ų | 67.6 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 175.9 | -70.3 | 170.5 | -171.7 | 179.9 | 8.6 | 112.8 | E284 L286 R292 | E284-R288 WeakPolarHBondContact O-CB 3.29Å; E284-R288 VanDerWaalsContact O-CG 3.23Å; E284-R288 WeakPolarHBondContact O-CG 3.32Å; E284-R288 PolarHBondContact O-N 2.86Å; E284-R288 IonicContact OE1-CZ 3.17Å; E284-R288 IonicContact OE1-NE 3.54Å; E284-R288 PolarHBondContact OE1-NE 2.87Å; E284-R288 IonicContact OE1-NH2 2.77Å; E284-R288 PolarHBondContact OE1-NH2 2.9Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 3.03Å; R288-R292 WeakPolarHBondContact O-CB 3.48Å; R288-R292 WeakPolarHBondContact O-CD 3.48Å; R288-R292 WeakPolarHBondContact O-CG 3.3Å; R288-R292 PolarHBondContact O-N 2.94Å; R288-R292 VanDerWaalsContact O-N 3.09Å |
| 289 | S | 78.2 | Confident | 67.4 | Low | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | N250 R285 L286 R292 K293 | N250-S289 PolarHBondContact ND2-OG 2.66Å; N250-S289 PolarHBondContact OD1-OG 3.23Å; R285-S289 PolarHBondContact O-N 3.32Å; R285-S289 VanDerWaalsContact O-N 3.09Å; R285-S289 PolarHBondContact O-OG 3.08Å; L286-S289 WeakPolarHBondContact O-CB 3.45Å; L286-S289 PolarHBondContact O-N 2.83Å; S289-R292 PolarHBondContact O-N 2.72Å; S289-K293 PolarHBondContact O-N 2.89Å |
| 290 | L | 76.3 | Confident | 65.5 | Low | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176 | -67 | 170.7 | 0 | 0 | 0 | 112.2 | V249 L286 R287 R292 K293 Q294 L312 I314 L331 P332 | V249-L290 HydrophobicContact CG1-CD2 3.99Å; V249-L290 HydrophobicContact CG1-CG 4.47Å; V249-L290 HydrophobicContact CG2-CD2 3.94Å; L286-L290 HydrophobicContact CD1-CD1 3.89Å; L286-L290 HydrophobicContact CD1-CD2 4.34Å; L286-L290 HydrophobicContact CD1-CG 3.84Å; L286-L290 HydrophobicContact CG-CD1 3.93Å; L286-L290 HydrophobicContact CG-CG 4.35Å; L286-L290 WeakPolarHBondContact O-CG 3.31Å; L286-L290 PolarHBondContact O-N 2.93Å; R287-L290 PolarHBondContact O-N 3.3Å; L290-R292 PolarHBondContact O-N 3.33Å; L290-K293 PolarHBondContact O-N 3.32Å; L290-Q294 VanDerWaalsContact O-CB 3.3Å; L290-Q294 WeakPolarHBondContact O-CB 3Å; L290-Q294 WeakPolarHBondContact O-CG 3.5Å; L290-Q294 PolarHBondContact O-N 3.45Å; L290-L312 HydrophobicContact CD2-CD2 3.88Å; L290-I314 HydrophobicContact CD2-CD1 3.69Å; L290-L331 HydrophobicContact CD1-CB 4.05Å; L290-L331 HydrophobicContact CD1-CD1 4.41Å; L290-P332 HydrophobicContact CB-CG 4.23Å |
| 291 | I | 71.5 | Confident | 63.7 | Low | 78 Ų | 78 | 68 Ų | 68 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.7 | -22.9 | 176.6 | -67.7 | 169 | 0 | 0 | 0 | 112.5 | R287 P332 | R287-I291 HydrophobicContact CG-CD1 3.95Å; R287-I291 WeakPolarHBondContact O-CB 3.26Å; R287-I291 VanDerWaalsContact O-CG1 3.24Å; R287-I291 WeakPolarHBondContact O-CG1 3.37Å; R287-I291 PolarHBondContact O-N 2.9Å; I291-P332 HydrophobicContact CD1-CG 4.18Å; I291-P332 HydrophobicContact CG1-CG 3.68Å |
| 292 | R | 66.7 | Low | 62.1 | Low | 168 Ų | 168 | 65.9 Ų | 65.9 | 63% | 0.634 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -82.2 | -40.2 | 175.6 | -78.9 | 170.6 | 174.4 | -171.7 | -3.2 | 113.4 | R288 S289 L290 | R288-R292 WeakPolarHBondContact O-CB 3.48Å; R288-R292 WeakPolarHBondContact O-CD 3.48Å; R288-R292 WeakPolarHBondContact O-CG 3.3Å; R288-R292 PolarHBondContact O-N 2.94Å; R288-R292 VanDerWaalsContact O-N 3.09Å; S289-R292 PolarHBondContact O-N 2.72Å; L290-R292 PolarHBondContact O-N 3.33Å |
| 293 | K | 67.3 | Low | 60.2 | Low | 59 Ų | 59 | 75.6 Ų | 75.6 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -85.1 | -30 | -178.4 | -64.5 | -80.5 | 179.6 | 172.2 | 0 | 111.9 | L252 G253 D254 S289 L290 | L252-K293 VanDerWaalsContact O-CE 3.31Å; L252-K293 WeakPolarHBondContact O-CE 3.4Å; L252-K293 PolarHBondContact O-NZ 2.94Å; G253-K293 PolarHBondContact O-NZ 2.77Å; D254-K293 IonicContact OD1-NZ 3.64Å; D254-K293 PolarHBondContact OD1-NZ 3.35Å; S289-K293 PolarHBondContact O-N 2.89Å; L290-K293 PolarHBondContact O-N 3.32Å |
| 294 | Q | 63.8 | Low | 58.2 | Low | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.019 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -82.6 | 108.3 | 163.5 | -64.5 | 166.5 | 27.9 | 0 | 0 | 109.9 | L290 R296 L312 P332 | L290-Q294 VanDerWaalsContact O-CB 3.3Å; L290-Q294 WeakPolarHBondContact O-CB 3Å; L290-Q294 WeakPolarHBondContact O-CG 3.5Å; L290-Q294 PolarHBondContact O-N 3.45Å; Q294-R296 VanDerWaalsContact C-N 3.26Å; Q294-R296 HydrophobicContact CB-CG 4.32Å; Q294-R296 PolarHBondContact O-N 3.15Å; Q294-L312 HydrophobicContact CG-CB 4.02Å; Q294-P332 PolarHBondContact NE2-O 3.01Å |
| 295 | Q | 51 | Low | 56.2 | Low | 104 Ų | 104 | 80 Ų | 80 | 49% | 0.486 | 40% | 0.399 | S | S | . | . | trans | -69.9 | 78.7 | 174.3 | -62.1 | -168.6 | 38.3 | 0 | 0 | 111.5 | T297 S310 | Q295-T297 PolarHBondContact O-N 3.31Å; Q295-S310 PolarHBondContact N-OG 3.21Å | ||
| 296 | R | 44.2 | Very low | 54.4 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 33% | 0.332 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 8.9 | 170.1 | -61.5 | -173 | 179.7 | -137.8 | -3.6 | 112.9 | T176 Q294 P332 | T176-R296 PolarHBondContact O-NH1 2.59Å; T176-R296 PolarHBondContact O-NH2 3.28Å; Q294-R296 VanDerWaalsContact C-N 3.26Å; Q294-R296 HydrophobicContact CB-CG 4.32Å; Q294-R296 PolarHBondContact O-N 3.15Å; R296-P332 VanDerWaalsContact NH2-CB 3.33Å |
| 297 | T | 35.9 | Very low | 52.5 | Low | 120 Ų | 120 | 82.6 Ų | 82.6 | 74% | 0.736 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -5.4 | -166.6 | 48.5 | 0 | 0 | 0 | 0 | 114.8 | Q295 | Q295-T297 PolarHBondContact O-N 3.31Š|
| 298 | S | 34.8 | Very low | 50.9 | Low | 60 Ų | 60 | 83.6 Ų | 83.6 | 42% | 0.42 | 43% | 0.43 | S | S | . | . | trans | -115.4 | 79.4 | 178.1 | 50.5 | 0 | 0 | 0 | 0 | 111 | G300 | S298-G300 PolarHBondContact O-N 3.1Š| ||
| 299 | W | 34 | Very low | 49.8 | Very low | 103 Ų | 103 | 79.6 Ų | 79.6 | 39% | 0.39 | 42% | 0.422 | S | S | . | . | trans | -76.2 | 54.7 | 161.7 | -76.2 | 72 | 0 | 0 | 0 | 110 | Y164 | Y164-W299 HydrophobicContact CE1-CD2 4.17Å; Y164-W299 HydrophobicContact CE1-CE3 4.14Å; Y164-W299 AromaticContact CE1-CH2 3.89Å; Y164-W299 HydrophobicContact CE1-CH2 3.89Å; Y164-W299 AromaticContact CE1-CZ2 3.91Å; Y164-W299 HydrophobicContact CE1-CZ2 3.91Å; Y164-W299 HydrophobicContact CE1-CZ3 4Å; Y164-W299 AromaticContact CZ-CD2 3.89Å; Y164-W299 VanDerWaalsContact OH-CE3 3.26Å | ||
| 300 | G | 37.8 | Very low | 49 | Very low | 41 Ų | 41 | 80.4 Ų | 80.4 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | trans | -123.4 | 136 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S298 | S298-G300 PolarHBondContact O-N 3.1Š| ||
| 301 | P | 38.7 | Very low | 48.9 | Very low | 77 Ų | 77 | 80.7 Ų | 80.7 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | trans | -70.1 | 145 | -179.5 | 27.8 | -33.5 | 0 | 0 | 0 | 112.1 | N306 | P301-N306 VanDerWaalsContact CA-O 3.22Å; P301-N306 WeakPolarHBondContact CA-O 3.46Å | ||
| 302 | D | 42.5 | Very low | 49.4 | Very low | 44 Ų | 44 | 77.2 Ų | 77.2 | 24% | 0.235 | 41% | 0.412 | C | S | . | . | trans | -66.4 | 170.5 | 158.3 | 46.7 | -92.2 | 0 | 0 | 0 | 111.2 | N304 G305 N306 I308 | D302-N304 PolarHBondContact O-N 3.37Å; D302-G305 PolarHBondContact O-N 3.08Å; D302-N306 PolarHBondContact N-O 2.9Å; D302-N306 WeakPolarHBondContact OD1-CB 3.47Å; D302-N306 VanDerWaalsContact OD1-O 3.05Å; D302-N306 PolarHBondContact OD2-N 2.82Å; D302-N306 PolarHBondContact OD2-ND2 3.35Å; D302-I308 HydrophobicContact CB-CD1 4.18Å; D302-I308 WeakPolarHBondContact OD1-CD1 3.38Å; D302-I308 WeakPolarHBondContact OD1-CG1 3.05Å | ||
| 303 | E | 41.4 | Very low | 50.4 | Low | 203 Ų | 203 | 69.2 Ų | 69.2 | 95% | 0.949 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -17.1 | -175 | -62.5 | -176.1 | 161.3 | 0 | 0 | 114.2 | ||
| 304 | N | 38.1 | Very low | 51.5 | Low | 144 Ų | 144 | 66.4 Ų | 66.4 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -0 | 178.5 | -61.3 | -56.6 | 0 | 0 | 0 | 114.3 | D302 | D302-N304 PolarHBondContact O-N 3.37Š|
| 305 | G | 37.6 | Very low | 52.8 | Low | 52 Ų | 52 | 66.2 Ų | 66.2 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 87.9 | 12.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | D302 | D302-G305 PolarHBondContact O-N 3.08Š|
| 306 | N | 41.4 | Very low | 54.7 | Low | 90 Ų | 90 | 61.4 Ų | 61.4 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | trans | -86.5 | 176 | 174.6 | -41.3 | -80.6 | 0 | 0 | 0 | 111 | P301 D302 | P301-N306 VanDerWaalsContact CA-O 3.22Å; P301-N306 WeakPolarHBondContact CA-O 3.46Å; D302-N306 PolarHBondContact N-O 2.9Å; D302-N306 WeakPolarHBondContact OD1-CB 3.47Å; D302-N306 VanDerWaalsContact OD1-O 3.05Å; D302-N306 PolarHBondContact OD2-N 2.82Å; D302-N306 PolarHBondContact OD2-ND2 3.35Å | ||
| 307 | L | 44.9 | Very low | 56.8 | Low | 48 Ų | 48 | 57.9 Ų | 57.9 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | trans | -123.3 | 83.8 | 175.8 | -76.3 | 166.4 | 0 | 0 | 0 | 109.6 | I147 T309 | I147-L307 HydrophobicContact CD1-CD1 4.14Å; L307-T309 PolarHBondContact O-N 2.95Å; L307-T309 VanDerWaalsContact O-N 3.16Å | ||
| 308 | I | 47.6 | Very low | 59.2 | Low | 118 Ų | 118 | 52.4 Ų | 52.4 | 61% | 0.605 | 30% | 0.3 | S | S | * | . | trans | -69.4 | 109.1 | 177.7 | -63.3 | 165.2 | 0 | 0 | 0 | 109.9 | D302 | D302-I308 HydrophobicContact CB-CD1 4.18Å; D302-I308 WeakPolarHBondContact OD1-CD1 3.38Å; D302-I308 WeakPolarHBondContact OD1-CG1 3.05Å | ||
| 309 | T | 52.1 | Low | 61.7 | Low | 60 Ų | 60 | 49.7 Ų | 49.7 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | trans | -93.9 | 132.7 | 169.2 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | L307 L311 | L307-T309 PolarHBondContact O-N 2.95Å; L307-T309 VanDerWaalsContact O-N 3.16Å; T309-L311 VanDerWaalsContact C-N 3.28Å; T309-L311 PolarHBondContact O-N 2.92Å | ||
| 310 | S | 62 | Low | 63.9 | Low | 26 Ų | 26 | 46 Ų | 46 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | -80.4 | 75.8 | 179.2 | 76.3 | 0 | 0 | 0 | 0 | 111.1 | Q295 | Q295-S310 PolarHBondContact N-OG 3.21Š| ||
| 311 | L | 73.5 | Confident | 65.9 | Low | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | trans | -71.8 | 133.1 | -176.2 | -168.2 | 62.5 | 0 | 0 | 0 | 111.4 | A139 F142 F209 G211 T309 A334 | A139-L311 HydrophobicContact CB-CD2 4.02Å; F142-L311 HydrophobicContact CB-CD1 4.46Å; F142-L311 HydrophobicContact CB-CD2 4.45Å; F142-L311 HydrophobicContact CD1-CD1 4.19Å; F142-L311 HydrophobicContact CD2-CD1 3.67Å; F142-L311 HydrophobicContact CD2-CD2 3.49Å; F142-L311 VanDerWaalsContact CD2-CD2 3.49Å; F142-L311 HydrophobicContact CD2-CG 4.26Å; F142-L311 HydrophobicContact CE1-CD1 4.32Å; F142-L311 HydrophobicContact CE2-CD1 3.82Å; F142-L311 HydrophobicContact CE2-CD2 3.99Å; F142-L311 HydrophobicContact CG-CD1 3.85Å; F142-L311 HydrophobicContact CG-CD2 4.19Å; F142-L311 HydrophobicContact CZ-CD1 4.12Å; F209-L311 CarbonylContact C-O 3.6Å; F209-L311 WeakPolarHBondContact CA-O 3.43Å; F209-L311 HydrophobicContact CD1-CB 4.4Å; F209-L311 HydrophobicContact CD1-CD2 3.85Å; F209-L311 HydrophobicContact CD1-CG 3.95Å; F209-L311 HydrophobicContact CE1-CD2 3.58Å; F209-L311 HydrophobicContact CE1-CG 4.09Å; G211-L311 VanDerWaalsContact CA-O 3.24Å; G211-L311 WeakPolarHBondContact CA-O 3.35Å; G211-L311 PolarHBondContact N-O 3.17Å; T309-L311 VanDerWaalsContact C-N 3.28Å; T309-L311 PolarHBondContact O-N 2.92Å; L311-A334 HydrophobicContact CD1-CB 4.06Å; L311-A334 HydrophobicContact CD2-CB 4.2Å; L311-A334 HydrophobicContact CG-CB 4.08Å | ||
| 312 | L | 82.3 | Confident | 68 | Low | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | trans | -110.1 | 123.8 | 179.5 | 173.4 | 74.9 | 0 | 0 | 0 | 108.8 | G211 I214 L290 Q294 | G211-L312 VanDerWaalsContact O-CD1 3.28Å; G211-L312 WeakPolarHBondContact O-CD1 3.31Å; I214-L312 HydrophobicContact CD1-CD1 4.29Å; I214-L312 HydrophobicContact CD1-CD2 4.18Å; I214-L312 HydrophobicContact CG1-CD1 4.38Å; L290-L312 HydrophobicContact CD2-CD2 3.88Å; Q294-L312 HydrophobicContact CG-CB 4.02Å | ||
| 313 | L | 87.5 | Confident | 69.7 | Low | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.3 | 178 | -177.2 | 62 | 0 | 0 | 0 | 111.3 | L135 L198 F209 G212 V213 I214 I315 A334 L336 | L135-L313 HydrophobicContact CD2-CD1 4.29Å; L135-L313 HydrophobicContact CD2-CD2 4.06Å; L198-L313 HydrophobicContact CD2-CD2 4.08Å; F209-L313 HydrophobicContact CB-CB 4.48Å; F209-L313 HydrophobicContact CD1-CB 3.68Å; F209-L313 HydrophobicContact CD1-CG 4.47Å; F209-L313 HydrophobicContact CD2-CD2 4.41Å; F209-L313 HydrophobicContact CE1-CB 4.07Å; F209-L313 HydrophobicContact CE1-CD1 4.02Å; F209-L313 HydrophobicContact CE1-CG 4.45Å; F209-L313 HydrophobicContact CE2-CD2 4.42Å; F209-L313 HydrophobicContact CG-CB 4.04Å; F209-L313 HydrophobicContact CG-CD2 4.5Å; F209-L313 HydrophobicContact CZ-CD1 4.27Å; G212-L313 PolarHBondContact O-N 2.92Å; V213-L313 CarbonylContact C-O 3.51Å; V213-L313 WeakPolarHBondContact CA-O 3.32Å; V213-L313 HydrophobicContact CG1-CB 4.41Å; V213-L313 HydrophobicContact CG1-CD2 4.29Å; V213-L313 HydrophobicContact CG1-CG 4.44Å; V213-L313 HydrophobicContact CG2-CB 4.32Å; V213-L313 HydrophobicContact CG2-CD2 4.41Å; I214-L313 PolarHBondContact N-O 3.39Å; L313-I315 HydrophobicContact CD2-CD1 4.22Å; L313-I315 HydrophobicContact CD2-CG1 4.31Å; L313-I315 HydrophobicContact CG-CG1 4.16Å; L313-A334 HydrophobicContact CD1-CB 4.1Å; L313-L336 HydrophobicContact CD1-CB 4.24Å |
| 314 | I | 89.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.5 | 177.9 | -58.3 | 171.1 | 0 | 0 | 0 | 108.9 | L290 L316 A334 F335 L336 | L290-I314 HydrophobicContact CD2-CD1 3.69Å; I314-L316 HydrophobicContact CG2-CD2 4.14Å; I314-L316 HydrophobicContact CG2-CG 4.49Å; I314-A334 PolarHBondContact N-O 3.36Å; I314-F335 HydrophobicContact CB-CD1 3.87Å; I314-F335 HydrophobicContact CB-CE1 4.08Å; I314-F335 HydrophobicContact CD1-CD1 4.37Å; I314-F335 HydrophobicContact CD1-CE1 3.75Å; I314-F335 HydrophobicContact CD1-CZ 4.1Å; I314-F335 HydrophobicContact CG2-CD1 4.01Å; I314-F335 HydrophobicContact CG2-CE1 4.07Å; I314-F335 CarbonylContact O-C 3.57Å; I314-F335 WeakPolarHBondContact O-CA 3.4Å; I314-L336 PolarHBondContact O-N 3.16Å |
| 315 | I | 91.1 | Very high | 73.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.8 | -177.7 | -59.9 | 167.7 | 0 | 0 | 0 | 109.1 | L198 V213 I214 W215 M216 L313 L336 | L198-I315 HydrophobicContact CD1-CD1 3.47Å; L198-I315 VanDerWaalsContact CD1-CD1 3.47Å; V213-I315 HydrophobicContact CG1-CD1 3.52Å; V213-I315 HydrophobicContact CG1-CG1 4.25Å; I214-I315 PolarHBondContact O-N 3.27Å; W215-I315 HydrophobicContact CD2-CB 4.26Å; W215-I315 HydrophobicContact CD2-CG2 3.71Å; W215-I315 HydrophobicContact CE3-CB 4.07Å; W215-I315 HydrophobicContact CE3-CD1 3.56Å; W215-I315 HydrophobicContact CE3-CG1 4.4Å; W215-I315 HydrophobicContact CE3-CG2 3.57Å; W215-I315 HydrophobicContact CG-CG2 4.34Å; W215-I315 HydrophobicContact CH2-CG2 4.16Å; W215-I315 HydrophobicContact CZ2-CG2 4.28Å; W215-I315 HydrophobicContact CZ3-CD1 3.96Å; W215-I315 HydrophobicContact CZ3-CG2 3.82Å; M216-I315 PolarHBondContact N-O 2.92Å; L313-I315 HydrophobicContact CD2-CD1 4.22Å; L313-I315 HydrophobicContact CD2-CG1 4.31Å; L313-I315 HydrophobicContact CG-CG1 4.16Å; I315-L336 CarbonylContact C-O 3.5Å; I315-L336 VanDerWaalsContact CA-O 3.32Å; I315-L336 WeakPolarHBondContact CA-O 3.45Å; I315-L336 HydrophobicContact CB-CD2 4.37Å; I315-L336 HydrophobicContact CG1-CB 4.16Å; I315-L336 HydrophobicContact CG1-CD2 4.15Å; I315-L336 HydrophobicContact CG2-CD2 3.69Å |
| 316 | L | 92 | Very high | 75.7 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.3 | 176.3 | -55.6 | 178.2 | 0 | 0 | 0 | 108.6 | M216 V218 F241 L245 I314 V319 V324 L328 L336 V337 T338 | M216-L316 HydrophobicContact CE-CD2 3.78Å; M216-L316 WeakPolarHBondContact O-CA 3.38Å; V218-L316 HydrophobicContact CG2-CB 3.96Å; V218-L316 HydrophobicContact CG2-CD2 4.26Å; F241-L316 HydrophobicContact CE2-CD2 4.36Å; F241-L316 HydrophobicContact CZ-CD2 4.09Å; L245-L316 HydrophobicContact CD1-CD2 4.46Å; I314-L316 HydrophobicContact CG2-CD2 4.14Å; I314-L316 HydrophobicContact CG2-CG 4.49Å; L316-V319 HydrophobicContact CB-CG2 3.6Å; L316-V324 HydrophobicContact CD1-CG1 4.26Å; L316-L328 HydrophobicContact CD1-CD1 3.52Å; L316-L336 PolarHBondContact N-O 2.9Å; L316-V337 HydrophobicContact CB-CG2 4.38Å; L316-V337 HydrophobicContact CD1-CG2 4.36Å; L316-V337 CarbonylContact O-C 3.56Å; L316-V337 WeakPolarHBondContact O-CA 3.3Å; L316-T338 PolarHBondContact O-N 2.9Å |
| 317 | D | 88.6 | Confident | 77.6 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.3 | -170.2 | 178.3 | 66.4 | 0 | 0 | 0 | 113.2 | S191 W215 M216 H217 V218 T338 | S191-D317 VanDerWaalsContact CB-OD1 3.25Å; S191-D317 WeakPolarHBondContact CB-OD1 3.33Å; S191-D317 PolarHBondContact OG-OD1 2.78Å; W215-D317 HydrophobicContact CZ2-CB 3.88Å; M216-D317 PolarHBondContact O-N 3.42Å; H217-D317 IonicContact CE1-OD2 3.09Å; H217-D317 IonicContact CG-OD2 2.72Å; H217-D317 IonicContact ND1-OD2 2.68Å; H217-D317 PolarHBondContact ND1-OD2 2.76Å; V218-D317 PolarHBondContact N-O 3.26Å; D317-T338 WeakPolarHBondContact CA-OG1 3.45Å; D317-T338 PolarHBondContact OD1-OG1 3.17Å |
| 318 | D | 85.1 | Confident | 79.5 | Confident | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.032 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 44.3 | 71 | -169.1 | -153.4 | 46.5 | 0 | 0 | 0 | 111.1 | G219 W320 T338 R340 | G219-D318 VanDerWaalsContact CA-O 3.27Å; G219-D318 WeakPolarHBondContact CA-O 3.49Å; G219-D318 PolarHBondContact N-O 3.37Å; D318-W320 PolarHBondContact OD2-NE1 3.31Å; D318-T338 WeakPolarHBondContact CA-O 3.28Å; D318-T338 PolarHBondContact N-O 3.46Å; D318-T338 PolarHBondContact N-OG1 3.28Å; D318-R340 IonicContact OD1-CZ 3.71Å; D318-R340 IonicContact OD1-NE 3.36Å; D318-R340 PolarHBondContact OD1-NE 2.64Å; D318-R340 IonicContact OD1-NH2 3.21Å; D318-R340 PolarHBondContact OD1-NH2 3.44Å; D318-R340 IonicContact OD2-CZ 3.49Å; D318-R340 IonicContact OD2-NE 2.63Å; D318-R340 IonicContact OD2-NH2 2.74Å; D318-R340 PolarHBondContact OD2-NH2 3.25Å |
| 319 | V | 87.5 | Confident | 81.1 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.8 | 178.2 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | V218 L316 V324 V337 T338 S339 I344 | V218-V319 HydrophobicContact CB-CG2 4.09Å; V218-V319 HydrophobicContact CG2-CG2 3.79Å; L316-V319 HydrophobicContact CB-CG2 3.6Å; V319-V324 HydrophobicContact CG1-CB 4.07Å; V319-V324 HydrophobicContact CG1-CG1 4.15Å; V319-V324 HydrophobicContact CG1-CG2 4.31Å; V319-V337 HydrophobicContact CB-CG1 4.05Å; V319-V337 HydrophobicContact CG2-CG1 3.84Å; V319-T338 PolarHBondContact N-O 2.79Å; V319-S339 WeakPolarHBondContact O-CB 3.42Å; V319-S339 PolarHBondContact O-OG 3.41Å; V319-I344 HydrophobicContact CB-CG1 4.4Å; V319-I344 HydrophobicContact CG1-CD1 4.21Å; V319-I344 HydrophobicContact CG1-CG1 3.93Å |
| 320 | W | 80 | Confident | 82.3 | Confident | 25 Ų | 25 | 22.1 Ų | 22.1 | 10% | 0.095 | 11% | 0.108 | C | C | . | . | trans | -111.4 | -33.6 | -173.5 | -69.3 | 61.1 | 0 | 0 | 0 | 114.2 | P220 D318 I344 K463 L467 | P220-W320 HydrophobicContact CB-CB 4.23Å; P220-W320 HydrophobicContact CB-CD2 4.05Å; P220-W320 HydrophobicContact CB-CE3 4.19Å; P220-W320 HydrophobicContact CB-CG 4.05Å; P220-W320 HydrophobicContact CG-CD2 4.4Å; D318-W320 PolarHBondContact OD2-NE1 3.31Å; W320-I344 VanDerWaalsContact C-CD1 3.41Å; W320-I344 WeakPolarHBondContact O-CD1 3.5Å; W320-K463 HydrophobicContact CH2-CB 3.89Å; W320-K463 HydrophobicContact CH2-CD 3.55Å; W320-K463 HydrophobicContact CH2-CG 3.5Å; W320-K463 VanDerWaalsContact CH2-O 3.29Å; W320-K463 WeakPolarHBondContact CH2-O 3.35Å; W320-K463 HydrophobicContact CZ2-CD 3.86Å; W320-K463 HydrophobicContact CZ2-CG 4.32Å; W320-K463 HydrophobicContact CZ3-CD 4.38Å; W320-K463 HydrophobicContact CZ3-CG 4.1Å; W320-K463 WeakPolarHBondContact CZ3-O 3.39Å; W320-L467 HydrophobicContact CE3-CD1 3.8Å; W320-L467 HydrophobicContact CE3-CD2 3.94Å; W320-L467 HydrophobicContact CE3-CG 4.23Å; W320-L467 HydrophobicContact CZ3-CD1 3.77Å; W320-L467 HydrophobicContact CZ3-CD2 4.01Å; W320-L467 HydrophobicContact CZ3-CG 3.97Å | ||
| 321 | D | 80.2 | Confident | 83.2 | Confident | 24 Ų | 24 | 21 Ų | 21 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | trans | -106.2 | 122.9 | -167.7 | -57.9 | -65 | 0 | 0 | 0 | 113.5 | L221 F222 E323 V324 I344 | L221-D321 WeakPolarHBondContact CA-OD2 3.28Å; L221-D321 WeakPolarHBondContact CB-OD2 3.46Å; L221-D321 PolarHBondContact N-OD2 2.96Å; F222-D321 HydrophobicContact CD2-CB 3.97Å; F222-D321 WeakPolarHBondContact CD2-OD1 3.37Å; F222-D321 HydrophobicContact CE2-CB 3.98Å; F222-D321 PolarHBondContact N-OD2 2.88Å; D321-E323 PolarHBondContact O-N 2.81Å; D321-V324 HydrophobicContact CB-CG2 4.36Å; D321-V324 WeakPolarHBondContact O-CB 3.22Å; D321-V324 WeakPolarHBondContact O-CG2 3.46Å; D321-V324 PolarHBondContact O-N 3.23Å; D321-I344 VanDerWaalsContact C-CD1 3.46Å | ||
| 322 | I | 82.9 | Confident | 83.4 | Confident | 38 Ų | 38 | 21 Ų | 21 | 20% | 0.195 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.8 | -26.3 | -179.5 | -43 | 170.8 | 0 | 0 | 0 | 112.2 | V324 G325 R326 R347 R513 | I322-V324 PolarHBondContact O-N 3Å; I322-G325 PolarHBondContact O-N 3.14Å; I322-R326 PolarHBondContact O-N 2.81Å; I322-R347 HydrophobicContact CG2-CB 4.47Å; I322-R347 HydrophobicContact CG2-CG 3.92Å; I322-R513 VanDerWaalsContact CD1-NH2 3.32Å |
| 323 | E | 77.9 | Confident | 83.1 | Confident | 43 Ų | 43 | 20.8 Ų | 20.8 | 20% | 0.201 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.3 | -27.3 | 174.8 | -68 | -66 | 134.9 | 0 | 0 | 112.4 | F222 I238 D321 R326 V327 R347 | F222-E323 HydrophobicContact CE2-CB 4.17Å; F222-E323 HydrophobicContact CE2-CG 3.93Å; F222-E323 HydrophobicContact CZ-CB 4.16Å; F222-E323 HydrophobicContact CZ-CG 4.05Å; I238-E323 HydrophobicContact CD1-CB 3.79Å; D321-E323 PolarHBondContact O-N 2.81Å; E323-R326 PolarHBondContact O-N 3.28Å; E323-R326 IonicContact OE1-NH1 2.69Å; E323-R326 PolarHBondContact OE1-NH1 2.87Å; E323-R326 IonicContact OE2-CZ 3.39Å; E323-R326 IonicContact OE2-NE 3.55Å; E323-R326 IonicContact OE2-NH1 3.53Å; E323-R326 PolarHBondContact OE2-NH1 3.23Å; E323-V327 WeakPolarHBondContact O-CB 3.26Å; E323-V327 WeakPolarHBondContact O-CG2 3.46Å; E323-V327 PolarHBondContact O-N 2.89Å; E323-R347 IonicContact OE1-CZ 2.7Å; E323-R347 IonicContact OE1-NH1 3.39Å; E323-R347 PolarHBondContact OE1-NH1 3.44Å |
| 324 | V | 83.4 | Confident | 83 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -49.3 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 111 | V218 L221 F241 L316 V319 D321 I322 V327 L328 | V218-V324 HydrophobicContact CG1-CG2 4.45Å; L221-V324 HydrophobicContact CD1-CG2 3.61Å; F241-V324 HydrophobicContact CE1-CG1 3.92Å; F241-V324 HydrophobicContact CZ-CG1 3.73Å; L316-V324 HydrophobicContact CD1-CG1 4.26Å; V319-V324 HydrophobicContact CG1-CB 4.07Å; V319-V324 HydrophobicContact CG1-CG1 4.15Å; V319-V324 HydrophobicContact CG1-CG2 4.31Å; D321-V324 HydrophobicContact CB-CG2 4.36Å; D321-V324 WeakPolarHBondContact O-CB 3.22Å; D321-V324 WeakPolarHBondContact O-CG2 3.46Å; D321-V324 PolarHBondContact O-N 3.23Å; I322-V324 PolarHBondContact O-N 3Å; V324-V327 PolarHBondContact O-N 3.36Å; V324-L328 HydrophobicContact CG1-CD1 3.9Å; V324-L328 WeakPolarHBondContact O-CB 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.31Å; V324-L328 PolarHBondContact O-N 3.32Å; V324-L328 VanDerWaalsContact O-N 3.1Å |
| 325 | G | 78.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I322 V327 L328 S329 | I322-G325 PolarHBondContact O-N 3.14Å; G325-V327 VanDerWaalsContact C-N 3.35Å; G325-V327 PolarHBondContact O-N 3.38Å; G325-L328 PolarHBondContact O-N 3.5Å; G325-S329 WeakPolarHBondContact O-CB 3.42Å; G325-S329 PolarHBondContact O-N 3.14Å |
| 326 | R | 81.3 | Confident | 83.1 | Confident | 135 Ų | 135 | 20.9 Ų | 20.9 | 51% | 0.509 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 176.4 | 175.1 | -175.4 | 161.3 | -147 | -12.3 | 113.4 | I322 E323 S329 R347 | I322-R326 PolarHBondContact O-N 2.81Å; E323-R326 PolarHBondContact O-N 3.28Å; E323-R326 IonicContact OE1-NH1 2.69Å; E323-R326 PolarHBondContact OE1-NH1 2.87Å; E323-R326 IonicContact OE2-CZ 3.39Å; E323-R326 IonicContact OE2-NE 3.55Å; E323-R326 IonicContact OE2-NH1 3.53Å; E323-R326 PolarHBondContact OE2-NH1 3.23Å; R326-S329 PolarHBondContact O-OG 3.02Å; R326-S329 VanDerWaalsContact O-OG 3.04Å; R326-R347 HydrophobicContact CB-CB 4.17Å |
| 327 | V | 81.5 | Confident | 83.1 | Confident | 13 Ų | 13 | 20.9 Ų | 20.9 | 8% | 0.079 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -76.8 | -32.7 | -176.7 | 163.5 | 0 | 0 | 0 | 0 | 111.6 | I238 V242 L279 L283 E323 V324 G325 | I238-V327 HydrophobicContact CG2-CG1 4.01Å; I238-V327 HydrophobicContact CG2-CG2 4.19Å; V242-V327 HydrophobicContact CG2-CG1 4.02Å; L279-V327 HydrophobicContact CD1-CG1 4.14Å; L279-V327 HydrophobicContact CD2-CG1 4.31Å; L279-V327 HydrophobicContact CD2-CG2 3.88Å; L283-V327 HydrophobicContact CD1-CG1 4.23Å; L283-V327 HydrophobicContact CD2-CG1 3.83Å; L283-V327 VanDerWaalsContact CD2-O 3.3Å; L283-V327 WeakPolarHBondContact CD2-O 3.25Å; L283-V327 HydrophobicContact CG-CG1 4.37Å; E323-V327 WeakPolarHBondContact O-CB 3.26Å; E323-V327 WeakPolarHBondContact O-CG2 3.46Å; E323-V327 PolarHBondContact O-N 2.89Å; V324-V327 PolarHBondContact O-N 3.36Å; G325-V327 VanDerWaalsContact C-N 3.35Å; G325-V327 PolarHBondContact O-N 3.38Å |
| 328 | L | 85 | Confident | 83.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -91.5 | -12.3 | -179.9 | -60.8 | 177.4 | 0 | 0 | 0 | 114 | W179 F241 L245 L286 L316 V324 G325 N330 L331 F335 | W179-L328 HydrophobicContact CH2-CB 3.74Å; W179-L328 HydrophobicContact CH2-CD1 4.37Å; W179-L328 HydrophobicContact CZ2-CB 4.18Å; F241-L328 HydrophobicContact CE1-CD1 3.99Å; F241-L328 HydrophobicContact CE1-CD2 4.25Å; F241-L328 HydrophobicContact CE1-CG 4.36Å; F241-L328 HydrophobicContact CZ-CD1 4.07Å; L245-L328 HydrophobicContact CD1-CD1 4.45Å; L245-L328 HydrophobicContact CD1-CD2 4.14Å; L286-L328 HydrophobicContact CD2-CD2 4.37Å; L316-L328 HydrophobicContact CD1-CD1 3.52Å; V324-L328 HydrophobicContact CG1-CD1 3.9Å; V324-L328 WeakPolarHBondContact O-CB 3.3Å; V324-L328 WeakPolarHBondContact O-CG 3.31Å; V324-L328 PolarHBondContact O-N 3.32Å; V324-L328 VanDerWaalsContact O-N 3.1Å; G325-L328 PolarHBondContact O-N 3.5Å; L328-N330 PolarHBondContact O-N 2.86Å; L328-N330 VanDerWaalsContact O-N 3.08Å; L328-L331 HydrophobicContact CB-CD1 4.31Å; L328-L331 HydrophobicContact CD2-CD1 3.47Å; L328-L331 VanDerWaalsContact CD2-CD1 3.47Å; L328-L331 HydrophobicContact CG-CD1 4.48Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 PolarHBondContact O-N 2.78Å; L328-F335 HydrophobicContact CD1-CE1 4.48Å |
| 329 | S | 81.1 | Confident | 83.4 | Confident | 12 Ų | 12 | 20 Ų | 20 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -32.5 | -174.5 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | N177 G325 R326 | N177-S329 PolarHBondContact ND2-O 2.81Å; G325-S329 WeakPolarHBondContact O-CB 3.42Å; G325-S329 PolarHBondContact O-N 3.14Å; R326-S329 PolarHBondContact O-OG 3.02Å; R326-S329 VanDerWaalsContact O-OG 3.04Å |
| 330 | N | 77 | Confident | 83.3 | Confident | 106 Ų | 106 | 20.1 Ų | 20.1 | 57% | 0.567 | 10% | 0.096 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.9 | -178.8 | -78.4 | -45.6 | 0 | 0 | 0 | 114.4 | R287 L328 | R287-N330 PolarHBondContact NH1-O 3.13Å; L328-N330 PolarHBondContact O-N 2.86Å; L328-N330 VanDerWaalsContact O-N 3.08Å |
| 331 | L | 81.3 | Confident | 83.5 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -95.1 | 140 | -174.5 | -63.8 | 174.6 | 0 | 0 | 0 | 112.9 | N177 L283 L286 R287 L290 L328 G333 F335 | N177-L331 WeakPolarHBondContact CB-O 3.25Å; N177-L331 PolarHBondContact ND2-O 3.2Å; L283-L331 HydrophobicContact CD2-CD1 4.06Å; L283-L331 HydrophobicContact CD2-CD2 4.37Å; L283-L331 HydrophobicContact CD2-CG 4.41Å; L286-L331 HydrophobicContact CD2-CD1 3.5Å; L286-L331 HydrophobicContact CG-CD1 3.99Å; R287-L331 HydrophobicContact CB-CD2 3.86Å; R287-L331 HydrophobicContact CG-CD2 4.34Å; L290-L331 HydrophobicContact CD1-CB 4.05Å; L290-L331 HydrophobicContact CD1-CD1 4.41Å; L328-L331 HydrophobicContact CB-CD1 4.31Å; L328-L331 HydrophobicContact CD2-CD1 3.47Å; L328-L331 VanDerWaalsContact CD2-CD1 3.47Å; L328-L331 HydrophobicContact CG-CD1 4.48Å; L328-L331 WeakPolarHBondContact O-CB 3.37Å; L328-L331 PolarHBondContact O-N 2.78Å; L331-G333 PolarHBondContact O-N 2.97Å; L331-F335 HydrophobicContact CB-CZ 4.25Å |
| 332 | P | 76.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 5% | 0.045 | 9% | 0.094 | C | C | . | . | trans | -76 | 119.2 | 178.6 | 27.7 | -30.6 | 0 | 0 | 0 | 112.2 | T176 L290 I291 Q294 R296 | T176-P332 WeakPolarHBondContact O-CA 3.16Å; L290-P332 HydrophobicContact CB-CG 4.23Å; I291-P332 HydrophobicContact CD1-CG 4.18Å; I291-P332 HydrophobicContact CG1-CG 3.68Å; Q294-P332 PolarHBondContact NE2-O 3.01Å; R296-P332 VanDerWaalsContact NH2-CB 3.33Å | ||
| 333 | G | 77 | Confident | 83.8 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | 171.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | N177 A178 L331 | N177-G333 WeakPolarHBondContact CA-O 3.37Å; N177-G333 VanDerWaalsContact CB-O 3.22Å; N177-G333 WeakPolarHBondContact CB-O 3.46Å; A178-G333 PolarHBondContact N-O 3.23Å; L331-G333 PolarHBondContact O-N 2.97Å |
| 334 | A | 85.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L138 F142 F209 L311 L313 I314 | L138-A334 HydrophobicContact CD2-CB 3.38Å; F142-A334 HydrophobicContact CE2-CB 4.09Å; F142-A334 HydrophobicContact CZ-CB 4.49Å; F209-A334 HydrophobicContact CE1-CB 3.91Å; L311-A334 HydrophobicContact CD1-CB 4.06Å; L311-A334 HydrophobicContact CD2-CB 4.2Å; L311-A334 HydrophobicContact CG-CB 4.08Å; L313-A334 HydrophobicContact CD1-CB 4.1Å; I314-A334 PolarHBondContact N-O 3.36Å |
| 335 | F | 90.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.9 | -177.8 | -65.8 | -87.3 | 0 | 0 | 0 | 111.7 | N177 A178 W179 L180 I314 L328 L331 | N177-F335 HydrophobicContact CB-CE2 4.34Å; A178-F335 PolarHBondContact O-N 2.76Å; W179-F335 CarbonylContact C-O 3.58Å; W179-F335 WeakPolarHBondContact CA-O 3.17Å; W179-F335 HydrophobicContact CD2-CB 3.64Å; W179-F335 HydrophobicContact CD2-CD2 4.11Å; W179-F335 HydrophobicContact CD2-CG 4.08Å; W179-F335 AromaticContact CE2-CD2 3.7Å; W179-F335 HydrophobicContact CE3-CB 3.33Å; W179-F335 HydrophobicContact CE3-CD2 4.41Å; W179-F335 AromaticContact CE3-CG 3.93Å; W179-F335 HydrophobicContact CE3-CG 3.93Å; W179-F335 HydrophobicContact CG-CB 4.31Å; W179-F335 HydrophobicContact CH2-CB 4.04Å; W179-F335 AromaticContact CH2-CD1 3.85Å; W179-F335 HydrophobicContact CH2-CD1 3.85Å; W179-F335 AromaticContact CH2-CD2 3.95Å; W179-F335 HydrophobicContact CH2-CD2 3.95Å; W179-F335 HydrophobicContact CH2-CE1 4.27Å; W179-F335 HydrophobicContact CH2-CE2 4.36Å; W179-F335 AromaticContact CH2-CG 3.68Å; W179-F335 HydrophobicContact CH2-CG 3.68Å; W179-F335 HydrophobicContact CZ2-CB 4.32Å; W179-F335 HydrophobicContact CZ2-CD1 4.36Å; W179-F335 AromaticContact CZ2-CD2 3.62Å; W179-F335 HydrophobicContact CZ2-CD2 3.62Å; W179-F335 AromaticContact CZ2-CE2 3.94Å; W179-F335 HydrophobicContact CZ2-CE2 3.94Å; W179-F335 AromaticContact CZ2-CG 3.85Å; W179-F335 HydrophobicContact CZ2-CG 3.85Å; W179-F335 HydrophobicContact CZ2-CZ 4.43Å; W179-F335 HydrophobicContact CZ3-CB 3.56Å; W179-F335 HydrophobicContact CZ3-CD1 4.03Å; W179-F335 HydrophobicContact CZ3-CD2 4.35Å; W179-F335 AromaticContact CZ3-CG 3.74Å; W179-F335 HydrophobicContact CZ3-CG 3.74Å; L180-F335 PolarHBondContact N-O 3.08Å; I314-F335 HydrophobicContact CB-CD1 3.87Å; I314-F335 HydrophobicContact CB-CE1 4.08Å; I314-F335 HydrophobicContact CD1-CD1 4.37Å; I314-F335 HydrophobicContact CD1-CE1 3.75Å; I314-F335 HydrophobicContact CD1-CZ 4.1Å; I314-F335 HydrophobicContact CG2-CD1 4.01Å; I314-F335 HydrophobicContact CG2-CE1 4.07Å; I314-F335 CarbonylContact O-C 3.57Å; I314-F335 WeakPolarHBondContact O-CA 3.4Å; L328-F335 HydrophobicContact CD1-CE1 4.48Å; L331-F335 HydrophobicContact CB-CZ 4.25Å |
| 336 | L | 92.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.3 | 167.5 | 177.5 | 157.7 | 0 | 0 | 0 | 108.3 | L135 L180 I182 L313 I314 I315 L316 T338 | L135-L336 HydrophobicContact CD2-CD1 3.93Å; L180-L336 HydrophobicContact CD2-CD1 4.16Å; L180-L336 CarbonylContact O-C 3.56Å; L180-L336 WeakPolarHBondContact O-CA 3.41Å; I182-L336 HydrophobicContact CD1-CD1 3.92Å; I182-L336 HydrophobicContact CD1-CD2 4.03Å; I182-L336 HydrophobicContact CD1-CG 4.04Å; L313-L336 HydrophobicContact CD1-CB 4.24Å; I314-L336 PolarHBondContact O-N 3.16Å; I315-L336 CarbonylContact C-O 3.5Å; I315-L336 VanDerWaalsContact CA-O 3.32Å; I315-L336 WeakPolarHBondContact CA-O 3.45Å; I315-L336 HydrophobicContact CB-CD2 4.37Å; I315-L336 HydrophobicContact CG1-CB 4.16Å; I315-L336 HydrophobicContact CG1-CD2 4.15Å; I315-L336 HydrophobicContact CG2-CD2 3.69Å; L316-L336 PolarHBondContact N-O 2.9Å; L336-T338 HydrophobicContact CD2-CG2 4.16Å |
| 337 | V | 91.7 | Very high | 83.9 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.1 | -173.6 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | W179 L180 L181 I182 L316 V319 I344 L345 | W179-V337 HydrophobicContact CE3-CG2 3.85Å; W179-V337 HydrophobicContact CZ3-CG2 3.84Å; L180-V337 PolarHBondContact O-N 3.46Å; L181-V337 HydrophobicContact CD1-CB 4.25Å; L181-V337 HydrophobicContact CD1-CG1 4.03Å; I182-V337 PolarHBondContact N-O 2.89Å; L316-V337 HydrophobicContact CB-CG2 4.38Å; L316-V337 HydrophobicContact CD1-CG2 4.36Å; L316-V337 CarbonylContact O-C 3.56Å; L316-V337 WeakPolarHBondContact O-CA 3.3Å; V319-V337 HydrophobicContact CB-CG1 4.05Å; V319-V337 HydrophobicContact CG2-CG1 3.84Å; V337-I344 HydrophobicContact CG1-CG2 4.37Å; V337-L345 HydrophobicContact CB-CD1 4.38Å; V337-L345 HydrophobicContact CG2-CD1 4.1Å; V337-L345 HydrophobicContact CG2-CD2 4.31Å |
| 338 | T | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.1 | 166.9 | 85.9 | 0 | 0 | 0 | 0 | 109.2 | I182 L316 D317 D318 V319 L336 | I182-T338 WeakPolarHBondContact O-CA 3.46Å; L316-T338 PolarHBondContact O-N 2.9Å; D317-T338 WeakPolarHBondContact CA-OG1 3.45Å; D317-T338 PolarHBondContact OD1-OG1 3.17Å; D318-T338 WeakPolarHBondContact CA-O 3.28Å; D318-T338 PolarHBondContact N-O 3.46Å; D318-T338 PolarHBondContact N-OG1 3.28Å; V319-T338 PolarHBondContact N-O 2.79Å; L336-T338 HydrophobicContact CD2-CG2 4.16Å |
| 339 | S | 89 | Confident | 83.2 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 172.8 | -179.7 | -169.3 | 0 | 0 | 0 | 0 | 112.8 | I182 H183 K190 V319 D341 | I182-S339 PolarHBondContact O-N 3.07Å; H183-S339 WeakPolarHBondContact CA-O 3.26Å; K190-S339 WeakPolarHBondContact CD-O 3.35Å; K190-S339 WeakPolarHBondContact CE-O 3.36Å; K190-S339 PolarHBondContact NZ-O 3.12Å; V319-S339 WeakPolarHBondContact O-CB 3.42Å; V319-S339 PolarHBondContact O-OG 3.41Å; S339-D341 PolarHBondContact OG-N 3.06Å; S339-D341 VanDerWaalsContact OG-N 3.11Å |
| 340 | R | 85.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -105.2 | -20.8 | 170.5 | -53.3 | 165.7 | -165 | -134.9 | 1.3 | 111.1 | D318 Y454 A460 S464 Y514 S515 | D318-R340 IonicContact OD1-CZ 3.71Å; D318-R340 IonicContact OD1-NE 3.36Å; D318-R340 PolarHBondContact OD1-NE 2.64Å; D318-R340 IonicContact OD1-NH2 3.21Å; D318-R340 PolarHBondContact OD1-NH2 3.44Å; D318-R340 IonicContact OD2-CZ 3.49Å; D318-R340 IonicContact OD2-NE 2.63Å; D318-R340 IonicContact OD2-NH2 2.74Å; D318-R340 PolarHBondContact OD2-NH2 3.25Å; R340-Y454 PolarHBondContact NH2-OH 2.83Å; R340-A460 PolarHBondContact NH1-O 3.28Å; R340-S464 PolarHBondContact NH1-OG 3.4Å; R340-S464 VanDerWaalsContact NH1-OG 3.1Å; R340-Y514 CarbonylContact O-C 3.48Å; R340-Y514 WeakPolarHBondContact O-CA 3.32Å; R340-S515 WeakPolarHBondContact O-CB 3.46Å; R340-S515 PolarHBondContact O-N 2.71Å; R340-S515 PolarHBondContact O-OG 2.94Å |
| 341 | D | 84.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | trans | -96.9 | 119.2 | 179.3 | -173.2 | -25.7 | 0 | 0 | 0 | 109.8 | S339 D343 I344 R513 Y514 | S339-D341 PolarHBondContact OG-N 3.06Å; S339-D341 VanDerWaalsContact OG-N 3.11Å; D341-D343 VanDerWaalsContact C-N 3.27Å; D341-D343 PolarHBondContact O-N 2.83Å; D341-D343 WeakPolarHBondContact OD1-CA 3.46Å; D341-D343 PolarHBondContact OD1-N 3.05Å; D341-I344 HydrophobicContact CB-CB 4.23Å; D341-I344 WeakPolarHBondContact O-CB 3.44Å; D341-I344 VanDerWaalsContact O-CG2 3.31Å; D341-I344 WeakPolarHBondContact O-CG2 3.3Å; D341-I344 PolarHBondContact O-N 3.27Å; D341-I344 PolarHBondContact OD1-N 2.86Å; D341-R513 CarbonylContact C-O 3.54Å; D341-R513 VanDerWaalsContact CA-O 3.26Å; D341-R513 WeakPolarHBondContact CA-O 3.44Å; D341-R513 VanDerWaalsContact CG-NE 3.31Å; D341-R513 WeakPolarHBondContact OD1-CG 3.3Å; D341-R513 IonicContact OD1-CZ 2.67Å; D341-R513 IonicContact OD1-NE 2.69Å; D341-R513 PolarHBondContact OD1-NE 3.37Å; D341-R513 IonicContact OD1-NH2 3.8Å; D341-R513 PolarHBondContact OD1-NH2 2.88Å; D341-R513 IonicContact OD2-CZ 3.17Å; D341-R513 VanDerWaalsContact OD2-CZ 3.29Å; D341-R513 IonicContact OD2-NE 3.25Å; D341-R513 PolarHBondContact OD2-NE 2.72Å; D341-R513 IonicContact OD2-NH2 3.57Å; D341-R513 PolarHBondContact OD2-NH2 2.83Å; D341-Y514 HydrophobicContact CB-CD1 4.23Å; D341-Y514 HydrophobicContact CB-CE1 4.32Å; D341-Y514 WeakPolarHBondContact OD2-CE1 3.49Å | ||
| 342 | L | 84.8 | Confident | 82.9 | Confident | 28 Ų | 28 | 32 Ų | 32 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.3 | 178.5 | -178.5 | 60.3 | 0 | 0 | 0 | 113.7 | L181 R513 | L181-L342 VanDerWaalsContact CD2-O 3.28Å; L181-L342 WeakPolarHBondContact CD2-O 3.35Å; L342-R513 PolarHBondContact N-O 3.14Å |
| 343 | D | 83.1 | Confident | 83.3 | Confident | 41 Ų | 41 | 34.3 Ų | 34.3 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 11.3 | -173.4 | -54.4 | -29.1 | 0 | 0 | 0 | 111.4 | D341 L345 E346 R513 | D341-D343 VanDerWaalsContact C-N 3.27Å; D341-D343 PolarHBondContact O-N 2.83Å; D341-D343 WeakPolarHBondContact OD1-CA 3.46Å; D341-D343 PolarHBondContact OD1-N 3.05Å; D343-L345 PolarHBondContact O-N 2.85Å; D343-E346 HydrophobicContact CB-CB 4.2Å; D343-E346 WeakPolarHBondContact O-CB 3.32Å; D343-E346 PolarHBondContact O-N 2.63Å; D343-R513 HydrophobicContact CB-CG 4.36Å; D343-R513 VanDerWaalsContact CB-CZ 3.46Å; D343-R513 WeakPolarHBondContact OD2-CD 3.25Å; D343-R513 WeakPolarHBondContact OD2-CG 3.42Å; D343-R513 IonicContact OD2-CZ 3.22Å; D343-R513 IonicContact OD2-NE 2.61Å; D343-R513 IonicContact OD2-NH1 3.89Å; D343-R513 PolarHBondContact OD2-NH1 3.34Å |
| 344 | I | 84.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.1 | -178 | -165.3 | 65.3 | 0 | 0 | 0 | 113.5 | L181 V319 W320 D321 V337 D341 | L181-I344 HydrophobicContact CD1-CG2 3.52Å; L181-I344 HydrophobicContact CD2-CG2 4.11Å; L181-I344 HydrophobicContact CG-CG2 4.49Å; V319-I344 HydrophobicContact CB-CG1 4.4Å; V319-I344 HydrophobicContact CG1-CD1 4.21Å; V319-I344 HydrophobicContact CG1-CG1 3.93Å; W320-I344 VanDerWaalsContact C-CD1 3.41Å; W320-I344 WeakPolarHBondContact O-CD1 3.5Å; D321-I344 VanDerWaalsContact C-CD1 3.46Å; V337-I344 HydrophobicContact CG1-CG2 4.37Å; D341-I344 HydrophobicContact CB-CB 4.23Å; D341-I344 WeakPolarHBondContact O-CB 3.44Å; D341-I344 VanDerWaalsContact O-CG2 3.31Å; D341-I344 WeakPolarHBondContact O-CG2 3.3Å; D341-I344 PolarHBondContact O-N 3.27Å; D341-I344 PolarHBondContact OD1-N 2.86Å |
| 345 | L | 85 | Confident | 83.9 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 16 | 175.6 | -56.4 | -174.8 | 0 | 0 | 0 | 113.9 | W179 L181 V337 D343 R347 V348 V352 | W179-L345 HydrophobicContact CB-CD1 4.03Å; W179-L345 HydrophobicContact CD2-CD1 4.16Å; W179-L345 HydrophobicContact CE3-CD1 3.59Å; W179-L345 HydrophobicContact CE3-CD2 3.89Å; W179-L345 HydrophobicContact CE3-CG 4.4Å; W179-L345 HydrophobicContact CG-CD1 4.37Å; W179-L345 HydrophobicContact CZ3-CD1 4.41Å; W179-L345 HydrophobicContact CZ3-CD2 3.91Å; L181-L345 HydrophobicContact CB-CD1 4.23Å; V337-L345 HydrophobicContact CB-CD1 4.38Å; V337-L345 HydrophobicContact CG2-CD1 4.1Å; V337-L345 HydrophobicContact CG2-CD2 4.31Å; D343-L345 PolarHBondContact O-N 2.85Å; L345-R347 PolarHBondContact O-N 2.89Å; L345-R347 VanDerWaalsContact O-N 3.14Å; L345-V348 HydrophobicContact CB-CG2 3.97Å; L345-V348 HydrophobicContact CD2-CG2 4.13Å; L345-V348 WeakPolarHBondContact O-CB 3.45Å; L345-V348 PolarHBondContact O-N 2.92Å; L345-V348 VanDerWaalsContact O-N 3.14Å; L345-V352 HydrophobicContact CB-CG1 4.22Å; L345-V352 HydrophobicContact CB-CG2 4.08Å; L345-V352 HydrophobicContact CD1-CG1 3.73Å; L345-V352 HydrophobicContact CD1-CG2 4.35Å |
| 346 | E | 80.4 | Confident | 83.6 | Confident | 126 Ų | 126 | 44 Ų | 44 | 59% | 0.589 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28.9 | 178.9 | -177.1 | -175.5 | -158.8 | 0 | 0 | 113.1 | D343 V348 | D343-E346 HydrophobicContact CB-CB 4.2Å; D343-E346 WeakPolarHBondContact O-CB 3.32Å; D343-E346 PolarHBondContact O-N 2.63Å; E346-V348 VanDerWaalsContact C-N 3.33Å; E346-V348 PolarHBondContact O-N 3.05Å |
| 347 | R | 75.7 | Confident | 83.2 | Confident | 116 Ų | 116 | 44.2 Ų | 44.2 | 44% | 0.438 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 23.5 | -179.8 | -57.5 | -175.3 | -173.2 | 165.3 | -3.6 | 114.2 | I322 E323 R326 L345 | I322-R347 HydrophobicContact CG2-CB 4.47Å; I322-R347 HydrophobicContact CG2-CG 3.92Å; E323-R347 IonicContact OE1-CZ 2.7Å; E323-R347 IonicContact OE1-NH1 3.39Å; E323-R347 PolarHBondContact OE1-NH1 3.44Å; R326-R347 HydrophobicContact CB-CB 4.17Å; L345-R347 PolarHBondContact O-N 2.89Å; L345-R347 VanDerWaalsContact O-N 3.14Å |
| 348 | V | 79.8 | Confident | 82 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 10% | 0.097 | 22% | 0.224 | C | C | . | . | trans | -103.4 | 127.2 | 176.7 | 177.1 | 0 | 0 | 0 | 0 | 109 | W179 L345 E346 T350 V352 | W179-V348 HydrophobicContact CD2-CG1 4.34Å; W179-V348 HydrophobicContact CG-CG1 4.19Å; L345-V348 HydrophobicContact CB-CG2 3.97Å; L345-V348 HydrophobicContact CD2-CG2 4.13Å; L345-V348 WeakPolarHBondContact O-CB 3.45Å; L345-V348 PolarHBondContact O-N 2.92Å; L345-V348 VanDerWaalsContact O-N 3.14Å; E346-V348 VanDerWaalsContact C-N 3.33Å; E346-V348 PolarHBondContact O-N 3.05Å; V348-T350 VanDerWaalsContact C-N 3.32Å; V348-T350 WeakPolarHBondContact CG1-OG1 3.42Å; V348-V352 HydrophobicContact CB-CG2 4.37Å; V348-V352 HydrophobicContact CG1-CG2 4.37Å | ||
| 349 | E | 71.6 | Confident | 80.8 | Confident | 178 Ų | 178 | 51.6 Ų | 51.6 | 83% | 0.832 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -79.5 | -13.4 | -175.8 | -61.6 | -177.4 | -178.9 | 0 | 0 | 113.6 | ||
| 350 | T | 74.7 | Confident | 80.4 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -96.6 | 156.9 | 178.2 | 37.9 | 0 | 0 | 0 | 0 | 112.5 | N177 W179 V348 | N177-T350 PolarHBondContact ND2-OG1 2.8Å; N177-T350 WeakPolarHBondContact O-CB 3.44Å; N177-T350 WeakPolarHBondContact O-CG2 3.35Å; W179-T350 PolarHBondContact NE1-OG1 3.16Å; V348-T350 VanDerWaalsContact C-N 3.32Å; V348-T350 WeakPolarHBondContact CG1-OG1 3.42Å |
| 351 | P | 74.5 | Confident | 80.3 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | trans | -58.6 | 140.2 | -179.5 | 23.4 | -34.3 | 0 | 0 | 0 | 112.6 | ||||
| 352 | V | 83 | Confident | 80.2 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 106.9 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | W179 L181 L345 V348 R354 | W179-V352 HydrophobicContact CB-CB 4.38Å; W179-V352 HydrophobicContact CB-CG1 4.26Å; W179-V352 HydrophobicContact CB-CG2 4.02Å; W179-V352 CarbonylContact O-C 3.53Å; W179-V352 WeakPolarHBondContact O-CA 3.33Å; L181-V352 HydrophobicContact CB-CG1 4.02Å; L345-V352 HydrophobicContact CB-CG1 4.22Å; L345-V352 HydrophobicContact CB-CG2 4.08Å; L345-V352 HydrophobicContact CD1-CG1 3.73Å; L345-V352 HydrophobicContact CD1-CG2 4.35Å; V348-V352 HydrophobicContact CB-CG2 4.37Å; V348-V352 HydrophobicContact CG1-CG2 4.37Å; V352-R354 HydrophobicContact CG1-CG 4.46Å |
| 353 | D | 85.6 | Confident | 80.1 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 147.6 | 167.1 | -89.4 | -39.8 | 0 | 0 | 0 | 110.8 | W179 L180 L181 | W179-D353 PolarHBondContact O-N 3.22Å; L180-D353 HydrophobicContact CD1-CB 3.82Å; L181-D353 PolarHBondContact N-O 3.46Å |
| 354 | R | 87 | Confident | 79.9 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 36% | 0.362 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.3 | -177.1 | -56.2 | -174.3 | -173.8 | -161.2 | -0.6 | 111.6 | K134 L181 V352 | K134-R354 PolarHBondContact NZ-O 3.02Å; L181-R354 HydrophobicContact CB-CG 4.5Å; L181-R354 CarbonylContact O-C 3.49Å; L181-R354 WeakPolarHBondContact O-CA 3.21Å; V352-R354 HydrophobicContact CG1-CG 4.46Å |
| 355 | L | 88.3 | Confident | 80 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.2 | 171.7 | -176.7 | 64.8 | 0 | 0 | 0 | 109.1 | L131 K134 L181 I182 H183 L193 L357 | L131-L355 HydrophobicContact CB-CD2 4.03Å; L131-L355 HydrophobicContact CD1-CD2 4.04Å; L131-L355 HydrophobicContact CG-CD2 4.08Å; K134-L355 HydrophobicContact CD-CB 4.36Å; K134-L355 HydrophobicContact CD-CD1 4.31Å; L181-L355 PolarHBondContact O-N 3.32Å; I182-L355 HydrophobicContact CD1-CD2 4.47Å; I182-L355 HydrophobicContact CG1-CB 4.27Å; I182-L355 HydrophobicContact CG1-CD2 4.29Å; I182-L355 HydrophobicContact CG2-CD2 4.49Å; H183-L355 PolarHBondContact CD2-O 3.47Å; H183-L355 PolarHBondContact N-O 2.96Å; L193-L355 HydrophobicContact CD2-CD2 4.49Å; L355-L357 HydrophobicContact CG-CD2 4.48Å; L355-L357 HydrophobicContact CG-CG 4.45Å |
| 356 | H | 84.4 | Confident | 80.1 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.4 | -178.2 | -68.5 | -119.7 | 0 | 0 | 0 | 109 | H183 H358 | H183-H356 AromaticContact CE1-CE1 3.22Å; H183-H356 PolarHBondContact CE1-CE1 3.07Å; H183-H356 AromaticContact CE1-CG 3.22Å; H183-H356 AromaticContact CE1-ND1 2.64Å; H183-H356 PolarHBondContact CE1-ND1 2.85Å; H183-H356 AromaticContact CE1-NE2 3.98Å; H183-H356 WeakPolarHBondContact NE2-CB 3.36Å; H183-H356 AromaticContact NE2-CD2 2.23Å; H183-H356 PolarHBondContact NE2-CD2 3.01Å; H183-H356 AromaticContact NE2-CE1 2.42Å; H183-H356 PolarHBondContact NE2-CE1 3.29Å; H183-H356 AromaticContact NE2-CG 2.42Å; H183-H356 AromaticContact NE2-ND1 2.54Å; H183-H356 PolarHBondContact NE2-ND1 2.82Å; H183-H356 AromaticContact NE2-NE2 2.21Å; H183-H356 PolarHBondContact NE2-NE2 2.74Å; H356-H358 AromaticContact ND1-NE2 3.84Å |
| 357 | L | 82 | Confident | 80.2 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 87.1 | 176 | -67.7 | 176.5 | 0 | 0 | 0 | 110.4 | L127 I182 H183 G184 K190 L193 L355 | L127-L357 HydrophobicContact CD1-CD2 4.17Å; L127-L357 HydrophobicContact CD2-CD2 3.91Å; I182-L357 HydrophobicContact CG2-CD1 3.5Å; I182-L357 HydrophobicContact CG2-CG 4.28Å; H183-L357 WeakPolarHBondContact O-CB 3.33Å; H183-L357 PolarHBondContact O-N 3.43Å; G184-L357 WeakPolarHBondContact CA-O 3.41Å; K190-L357 HydrophobicContact CB-CD1 4.28Å; K190-L357 HydrophobicContact CG-CD1 4Å; L193-L357 HydrophobicContact CD2-CD1 3.84Å; L193-L357 HydrophobicContact CD2-CD2 3.97Å; L355-L357 HydrophobicContact CG-CD2 4.48Å; L355-L357 HydrophobicContact CG-CG 4.45Å |
| 358 | H | 67.8 | Low | 80.7 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | trans | -121.1 | 16.9 | 174.1 | -51.1 | -61.7 | 0 | 0 | 0 | 112.2 | H183 H356 V518 | H183-H358 AromaticContact CE1-CD2 3.85Å; H183-H358 AromaticContact CE1-CE1 3.36Å; H183-H358 PolarHBondContact CE1-CE1 3.12Å; H183-H358 AromaticContact CE1-NE2 2.71Å; H183-H358 PolarHBondContact CE1-NE2 2.71Å; H356-H358 AromaticContact ND1-NE2 3.84Å; H358-V518 HydrophobicContact CB-CG1 4.41Å; H358-V518 HydrophobicContact CB-CG2 4.3Å | ||
| 359 | N | 65.7 | Low | 81.1 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | trans | -97.5 | 102.3 | 178.7 | -65.8 | 25.5 | 0 | 0 | 0 | 109.1 | R124 | R124-N359 PolarHBondContact NH1-O 2.87Š| ||
| 360 | D | 79.6 | Confident | 81.7 | Confident | 49 Ų | 49 | 46 Ų | 46 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | trans | -69.2 | 175.3 | 171.7 | -55.8 | -57.3 | 0 | 0 | 0 | 111.1 | R124 Y406 H533 | R124-D360 PolarHBondContact NH2-O 2.93Å; D360-Y406 WeakPolarHBondContact CB-O 3.42Å; D360-H533 IonicContact OD1-CD2 2.81Å; D360-H533 IonicContact OD1-NE2 3.94Å; D360-H533 IonicContact OD2-CD2 3.71Å; D360-H533 IonicContact OD2-NE2 3.09Å | ||
| 361 | L | 84.6 | Confident | 82.2 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | trans | -75.1 | 142.2 | -179.5 | -61.4 | 175.9 | 0 | 0 | 0 | 111.8 | E365 V366 G407 P409 V412 | L361-E365 WeakPolarHBondContact CA-OE2 3.48Å; L361-E365 HydrophobicContact CB-CB 3.9Å; L361-E365 HydrophobicContact CD2-CB 4.07Å; L361-E365 HydrophobicContact CG-CB 4.44Å; L361-V366 HydrophobicContact CB-CG2 3.94Å; L361-G407 VanDerWaalsContact CB-O 3.24Å; L361-G407 WeakPolarHBondContact CB-O 3.3Å; L361-G407 VanDerWaalsContact CG-O 3.25Å; L361-G407 WeakPolarHBondContact CG-O 3.27Å; L361-G407 PolarHBondContact N-O 3.22Å; L361-P409 HydrophobicContact CD1-CB 4.26Å; L361-P409 HydrophobicContact CD1-CG 4.24Å; L361-P409 HydrophobicContact CD2-CG 4.27Å; L361-P409 HydrophobicContact CG-CG 3.99Å; L361-V412 HydrophobicContact CD1-CG2 4.37Å | ||
| 362 | S | 83.1 | Confident | 82.7 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | trans | -71.3 | 166.8 | 168.4 | 73.8 | 0 | 0 | 0 | 0 | 111.9 | D364 E365 V366 | S362-D364 VanDerWaalsContact C-N 3.28Å; S362-D364 PolarHBondContact O-N 3.04Å; S362-E365 PolarHBondContact N-OE2 3.31Å; S362-E365 CarbonylContact O-C 3.51Å; S362-E365 WeakPolarHBondContact O-CB 3.44Å; S362-E365 PolarHBondContact O-N 2.92Å; S362-E365 VanDerWaalsContact O-N 3.09Å; S362-E365 WeakPolarHBondContact OG-CG 3.5Å; S362-E365 PolarHBondContact OG-N 3.03Å; S362-V366 WeakPolarHBondContact O-CG2 3.22Å; S362-V366 PolarHBondContact O-N 3.21Å | ||
| 363 | E | 81.5 | Confident | 82.8 | Confident | 92 Ų | 92 | 46 Ų | 46 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -36.6 | 179.5 | -47.4 | -153.1 | 118.5 | 0 | 0 | 111.9 | V366 A367 S402 | E363-V366 PolarHBondContact O-N 3Å; E363-A367 WeakPolarHBondContact O-CB 3.41Å; E363-A367 PolarHBondContact O-N 3.08Å; E363-S402 VanDerWaalsContact OE1-CB 3.23Å; E363-S402 WeakPolarHBondContact OE1-CB 3.4Å; E363-S402 PolarHBondContact OE1-OG 3.16Å |
| 364 | D | 79.9 | Confident | 82.4 | Confident | 124 Ų | 124 | 44.8 Ų | 44.8 | 66% | 0.663 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -64.7 | -38.9 | 173 | -49.2 | -55.6 | 0 | 0 | 0 | 112.4 | S362 A367 S368 | S362-D364 VanDerWaalsContact C-N 3.28Å; S362-D364 PolarHBondContact O-N 3.04Å; D364-A367 PolarHBondContact O-N 3.28Å; D364-S368 WeakPolarHBondContact O-CB 3.44Å; D364-S368 PolarHBondContact O-N 3.43Å |
| 365 | E | 86.7 | Confident | 81.8 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 16% | 0.159 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 174.1 | -71 | 179.6 | 128.2 | 0 | 0 | 110.7 | I122 R124 L361 S362 A367 S368 L369 | I122-E365 HydrophobicContact CD1-CB 4.06Å; I122-E365 WeakPolarHBondContact CD1-O 3.01Å; I122-E365 HydrophobicContact CG2-CG 4.11Å; R124-E365 WeakPolarHBondContact CD-OE1 3.34Å; R124-E365 WeakPolarHBondContact CG-OE1 3.22Å; R124-E365 IonicContact CZ-OE1 3.15Å; R124-E365 IonicContact CZ-OE2 2.67Å; R124-E365 IonicContact NE-OE1 2.72Å; R124-E365 PolarHBondContact NE-OE1 3.21Å; R124-E365 IonicContact NE-OE2 3.78Å; R124-E365 PolarHBondContact NE-OE2 2.9Å; R124-E365 IonicContact NH2-OE1 2.68Å; R124-E365 IonicContact NH2-OE2 2.79Å; R124-E365 PolarHBondContact NH2-OE2 2.92Å; L361-E365 WeakPolarHBondContact CA-OE2 3.48Å; L361-E365 HydrophobicContact CB-CB 3.9Å; L361-E365 HydrophobicContact CD2-CB 4.07Å; L361-E365 HydrophobicContact CG-CB 4.44Å; S362-E365 PolarHBondContact N-OE2 3.31Å; S362-E365 CarbonylContact O-C 3.51Å; S362-E365 WeakPolarHBondContact O-CB 3.44Å; S362-E365 PolarHBondContact O-N 2.92Å; S362-E365 VanDerWaalsContact O-N 3.09Å; S362-E365 WeakPolarHBondContact OG-CG 3.5Å; S362-E365 PolarHBondContact OG-N 3.03Å; E365-A367 VanDerWaalsContact C-N 3.35Å; E365-A367 PolarHBondContact O-N 2.85Å; E365-S368 WeakPolarHBondContact O-CB 3.5Å; E365-S368 PolarHBondContact O-N 3.41Å; E365-L369 PolarHBondContact O-N 2.96Å |
| 366 | V | 86.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | L361 S362 E363 S368 L369 L370 L398 V412 | L361-V366 HydrophobicContact CB-CG2 3.94Å; S362-V366 WeakPolarHBondContact O-CG2 3.22Å; S362-V366 PolarHBondContact O-N 3.21Å; E363-V366 PolarHBondContact O-N 3Å; V366-S368 PolarHBondContact O-N 2.8Å; V366-L369 PolarHBondContact O-N 3.06Å; V366-L370 HydrophobicContact CG1-CD1 3.73Å; V366-L370 HydrophobicContact CG1-CG 4.42Å; V366-L370 VanDerWaalsContact O-CG 3.28Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.14Å; V366-L398 HydrophobicContact CB-CD1 4.34Å; V366-L398 HydrophobicContact CG1-CD1 3.99Å; V366-V412 HydrophobicContact CG1-CG1 4.08Å; V366-V412 HydrophobicContact CG1-CG2 4.46Å; V366-V412 HydrophobicContact CG2-CG2 4.11Å |
| 367 | A | 82.8 | Confident | 80.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E363 D364 E365 L369 L370 S371 L398 | E363-A367 WeakPolarHBondContact O-CB 3.41Å; E363-A367 PolarHBondContact O-N 3.08Å; D364-A367 PolarHBondContact O-N 3.28Å; E365-A367 VanDerWaalsContact C-N 3.35Å; E365-A367 PolarHBondContact O-N 2.85Å; A367-L369 VanDerWaalsContact C-N 3.34Å; A367-L369 PolarHBondContact O-N 2.85Å; A367-L370 PolarHBondContact O-N 2.96Å; A367-S371 WeakPolarHBondContact O-CB 3.24Å; A367-S371 PolarHBondContact O-N 3.18Å; A367-S371 PolarHBondContact O-OG 2.72Å; A367-L398 HydrophobicContact CB-CD1 3.7Å; A367-L398 HydrophobicContact CB-CD2 3.71Å; A367-L398 HydrophobicContact CB-CG 4.35Å |
| 368 | S | 86.1 | Confident | 79.9 | Confident | 31 Ų | 31 | 49 Ų | 49 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 177 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | D364 E365 V366 S371 M372 | D364-S368 WeakPolarHBondContact O-CB 3.44Å; D364-S368 PolarHBondContact O-N 3.43Å; E365-S368 WeakPolarHBondContact O-CB 3.5Å; E365-S368 PolarHBondContact O-N 3.41Å; V366-S368 PolarHBondContact O-N 2.8Å; S368-S371 PolarHBondContact O-OG 3.37Å; S368-S371 VanDerWaalsContact O-OG 3.06Å; S368-M372 WeakPolarHBondContact O-CB 3.12Å; S368-M372 WeakPolarHBondContact O-CE 3.48Å; S368-M372 WeakPolarHBondContact O-CG 3.18Å; S368-M372 PolarHBondContact O-N 2.9Å |
| 369 | L | 87.3 | Confident | 79.7 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 176.6 | -148.2 | 73.7 | 0 | 0 | 0 | 110.6 | I122 E365 V366 A367 M372 W373 V412 | I122-L369 HydrophobicContact CD1-CB 3.8Å; I122-L369 HydrophobicContact CD1-CD1 3.66Å; I122-L369 HydrophobicContact CD1-CG 4.3Å; I122-L369 HydrophobicContact CG1-CD1 3.8Å; E365-L369 PolarHBondContact O-N 2.96Å; V366-L369 PolarHBondContact O-N 3.06Å; A367-L369 VanDerWaalsContact C-N 3.34Å; A367-L369 PolarHBondContact O-N 2.85Å; L369-M372 HydrophobicContact CD1-CE 4.24Å; L369-M372 PolarHBondContact O-N 3.07Å; L369-W373 WeakPolarHBondContact O-CB 3.36Å; L369-W373 PolarHBondContact O-N 2.97Å; L369-V412 HydrophobicContact CB-CG1 4.06Å; L369-V412 HydrophobicContact CD2-CB 3.84Å; L369-V412 HydrophobicContact CD2-CG1 3.69Å; L369-V412 HydrophobicContact CG-CG1 4.45Å |
| 370 | L | 85.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.1 | -36.7 | -177.3 | -66.7 | 170.2 | 0 | 0 | 0 | 112.7 | V366 A367 W373 T374 F381 I401 V412 L419 | V366-L370 HydrophobicContact CG1-CD1 3.73Å; V366-L370 HydrophobicContact CG1-CG 4.42Å; V366-L370 VanDerWaalsContact O-CG 3.28Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.14Å; A367-L370 PolarHBondContact O-N 2.96Å; L370-W373 PolarHBondContact O-N 3.1Å; L370-T374 WeakPolarHBondContact O-CB 3.23Å; L370-T374 WeakPolarHBondContact O-CG2 3.44Å; L370-T374 PolarHBondContact O-N 3.1Å; L370-T374 PolarHBondContact O-OG1 3.43Å; L370-F381 HydrophobicContact CB-CE1 4.29Å; L370-F381 HydrophobicContact CB-CE2 4.07Å; L370-F381 HydrophobicContact CB-CZ 3.89Å; L370-I401 HydrophobicContact CD1-CB 4.29Å; L370-I401 HydrophobicContact CD1-CD1 4.24Å; L370-I401 HydrophobicContact CD1-CG2 3.68Å; L370-V412 HydrophobicContact CD2-CG1 4.07Å; L370-V412 HydrophobicContact CG-CG1 4.07Å; L370-L419 HydrophobicContact CD2-CD1 4.26Å |
| 371 | S | 84.5 | Confident | 78.7 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 15% | 0.147 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 171.9 | 66.2 | 0 | 0 | 0 | 0 | 111 | A367 S368 W373 T374 G375 Y376 | A367-S371 WeakPolarHBondContact O-CB 3.24Å; A367-S371 PolarHBondContact O-N 3.18Å; A367-S371 PolarHBondContact O-OG 2.72Å; S368-S371 PolarHBondContact O-OG 3.37Å; S368-S371 VanDerWaalsContact O-OG 3.06Å; S371-W373 VanDerWaalsContact C-N 3.29Å; S371-W373 PolarHBondContact O-N 2.69Å; S371-T374 PolarHBondContact O-N 2.71Å; S371-G375 WeakPolarHBondContact O-CA 3.39Å; S371-G375 PolarHBondContact O-N 2.88Å; S371-Y376 WeakPolarHBondContact CA-O 3.23Å; S371-Y376 WeakPolarHBondContact CB-O 3.21Å |
| 372 | M | 86.1 | Confident | 77.3 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 33% | 0.325 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 172.3 | -78.3 | -171.7 | -78.3 | 0 | 0 | 112.6 | R120 I122 S368 L369 | R120-M372 HydrophobicContact CB-CB 4.38Å; R120-M372 HydrophobicContact CG-CB 4.24Å; R120-M372 PolarHBondContact NE-O 3.33Å; R120-M372 PolarHBondContact NH2-O 3.49Å; I122-M372 HydrophobicContact CG1-CE 3.71Å; S368-M372 WeakPolarHBondContact O-CB 3.12Å; S368-M372 WeakPolarHBondContact O-CE 3.48Å; S368-M372 WeakPolarHBondContact O-CG 3.18Å; S368-M372 PolarHBondContact O-N 2.9Å; L369-M372 HydrophobicContact CD1-CE 4.24Å; L369-M372 PolarHBondContact O-N 3.07Å |
| 373 | W | 83.8 | Confident | 75.6 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 16% | 0.163 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.5 | -37.4 | 179.3 | -89.6 | 104.1 | 0 | 0 | 0 | 114.3 | R120 L369 L370 S371 G416 Y420 | R120-W373 VanDerWaalsContact CD-CD2 3.47Å; R120-W373 VanDerWaalsContact CZ-O 3.3Å; R120-W373 PolarHBondContact NH1-O 2.8Å; R120-W373 PolarHBondContact NH2-O 2.91Å; R120-W373 VanDerWaalsContact NH2-O 3.09Å; L369-W373 WeakPolarHBondContact O-CB 3.36Å; L369-W373 PolarHBondContact O-N 2.97Å; L370-W373 PolarHBondContact O-N 3.1Å; S371-W373 VanDerWaalsContact C-N 3.29Å; S371-W373 PolarHBondContact O-N 2.69Å; W373-G416 VanDerWaalsContact CE3-C 3.41Å; W373-Y420 WeakPolarHBondContact O-CB 3.33Å; W373-Y420 WeakPolarHBondContact O-CD2 3.46Å |
| 374 | T | 76.9 | Confident | 73.6 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -104.2 | -26.5 | -170.3 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | L370 S371 Y376 F381 L419 | L370-T374 WeakPolarHBondContact O-CB 3.23Å; L370-T374 WeakPolarHBondContact O-CG2 3.44Å; L370-T374 PolarHBondContact O-N 3.1Å; L370-T374 PolarHBondContact O-OG1 3.43Å; S371-T374 PolarHBondContact O-N 2.71Å; T374-Y376 VanDerWaalsContact C-N 3.33Å; T374-Y376 HydrophobicContact CG2-CD2 4.23Å; T374-Y376 WeakPolarHBondContact OG1-CD2 3.31Å; T374-Y376 PolarHBondContact OG1-N 2.97Å; T374-F381 HydrophobicContact CG2-CZ 4.02Å; T374-F381 WeakPolarHBondContact OG1-CE2 3.24Å; T374-F381 VanDerWaalsContact OG1-CZ 3.32Å; T374-F381 WeakPolarHBondContact OG1-CZ 3.39Å; T374-L419 HydrophobicContact CG2-CB 3.79Å; T374-L419 HydrophobicContact CG2-CD1 4.35Å |
| 375 | G | 74.2 | Confident | 71.7 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | trans | 86.9 | -5.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S371 | S371-G375 WeakPolarHBondContact O-CA 3.39Å; S371-G375 PolarHBondContact O-N 2.88Å | ||
| 376 | Y | 73.9 | Confident | 69.5 | Low | 99 Ų | 99 | 57.6 Ų | 57.6 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | trans | -71.6 | 150.8 | 171.6 | -60.5 | -53.4 | 0 | 0 | 0 | 111.2 | S371 T374 Q380 F381 L391 | S371-Y376 WeakPolarHBondContact CA-O 3.23Å; S371-Y376 WeakPolarHBondContact CB-O 3.21Å; T374-Y376 VanDerWaalsContact C-N 3.33Å; T374-Y376 HydrophobicContact CG2-CD2 4.23Å; T374-Y376 WeakPolarHBondContact OG1-CD2 3.31Å; T374-Y376 PolarHBondContact OG1-N 2.97Å; Y376-Q380 VanDerWaalsContact CA-OE1 3.27Å; Y376-F381 HydrophobicContact CD2-CE2 4.29Å; Y376-F381 AromaticContact CD2-CZ 3.9Å; Y376-F381 HydrophobicContact CD2-CZ 3.9Å; Y376-L391 HydrophobicContact CE2-CD2 4.11Å | ||
| 377 | S | 68.8 | Low | 66.9 | Low | 46 Ų | 46 | 61.4 Ų | 61.4 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | trans | -71.1 | 160.1 | 174.3 | 71.1 | 0 | 0 | 0 | 0 | 111.4 | E379 Q380 | S377-E379 PolarHBondContact O-N 3.4Å; S377-Q380 WeakPolarHBondContact O-CB 3.28Å; S377-Q380 PolarHBondContact O-N 3.35Å; S377-Q380 VanDerWaalsContact O-N 3.08Å; S377-Q380 WeakPolarHBondContact OG-CG 3.31Å; S377-Q380 PolarHBondContact OG-N 3.47Å | ||
| 378 | M | 74 | Confident | 64.4 | Low | 87 Ų | 87 | 64.9 Ų | 64.9 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -57.5 | -38.7 | 172.7 | -72.4 | 169.4 | 161.9 | 0 | 0 | 111.5 | Q380 F381 I382 | M378-Q380 PolarHBondContact O-N 3.02Å; M378-F381 PolarHBondContact O-N 3.21Å; M378-I382 WeakPolarHBondContact O-CG1 3.45Å; M378-I382 PolarHBondContact O-N 3.47Å |
| 379 | E | 63.7 | Low | 62.2 | Low | 144 Ų | 144 | 71.9 Ų | 71.9 | 67% | 0.673 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -63.1 | -22.3 | 177 | -61.1 | 168.7 | 169.9 | 0 | 0 | 113.4 | S377 | S377-E379 PolarHBondContact O-N 3.4Š|
| 380 | Q | 62.1 | Low | 59.9 | Low | 90 Ų | 90 | 78 Ų | 78 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -84.8 | -11.5 | 174.9 | -73.5 | 166.1 | -12.5 | 0 | 0 | 113.4 | Y376 S377 M378 | Y376-Q380 VanDerWaalsContact CA-OE1 3.27Å; S377-Q380 WeakPolarHBondContact O-CB 3.28Å; S377-Q380 PolarHBondContact O-N 3.35Å; S377-Q380 VanDerWaalsContact O-N 3.08Å; S377-Q380 WeakPolarHBondContact OG-CG 3.31Å; S377-Q380 PolarHBondContact OG-N 3.47Å; M378-Q380 PolarHBondContact O-N 3.02Å |
| 381 | F | 60.7 | Low | 57.8 | Low | 7 Ų | 7 | 80.9 Ų | 80.9 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -26.6 | 172.4 | -76.8 | -70.3 | 0 | 0 | 0 | 113.1 | L370 T374 Y376 M378 P383 L398 | L370-F381 HydrophobicContact CB-CE1 4.29Å; L370-F381 HydrophobicContact CB-CE2 4.07Å; L370-F381 HydrophobicContact CB-CZ 3.89Å; T374-F381 HydrophobicContact CG2-CZ 4.02Å; T374-F381 WeakPolarHBondContact OG1-CE2 3.24Å; T374-F381 VanDerWaalsContact OG1-CZ 3.32Å; T374-F381 WeakPolarHBondContact OG1-CZ 3.39Å; Y376-F381 HydrophobicContact CD2-CE2 4.29Å; Y376-F381 AromaticContact CD2-CZ 3.9Å; Y376-F381 HydrophobicContact CD2-CZ 3.9Å; M378-F381 PolarHBondContact O-N 3.21Å; F381-P383 WeakPolarHBondContact O-CD 3.45Å; F381-L398 HydrophobicContact CB-CB 4.29Å; F381-L398 VanDerWaalsContact O-CB 3.23Å; F381-L398 WeakPolarHBondContact O-CB 3.36Å; F381-L398 PolarHBondContact O-N 3Å |
| 382 | I | 56.8 | Low | 55.9 | Low | 84 Ų | 84 | 89.5 Ų | 89.5 | 43% | 0.431 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -71.5 | 124.6 | 171.1 | -66.5 | 164.7 | 0 | 0 | 0 | 108 | M378 S384 L398 | M378-I382 WeakPolarHBondContact O-CG1 3.45Å; M378-I382 PolarHBondContact O-N 3.47Å; I382-S384 PolarHBondContact O-N 3.19Å; I382-L398 HydrophobicContact CG1-CD2 4.4Å |
| 383 | P | 46.3 | Very low | 54.1 | Low | 50 Ų | 50 | 87.7 Ų | 87.7 | 33% | 0.325 | 47% | 0.471 | S | S | . | . | trans | -60.4 | 108.5 | 168.8 | -20.7 | 33.7 | 0 | 0 | 0 | 109.3 | F381 P399 D1367 | F381-P383 WeakPolarHBondContact O-CD 3.45Å; P383-P399 HydrophobicContact CG-CG 4.48Å; P383-D1367 WeakPolarHBondContact CA-OD1 3.16Å; P383-D1367 HydrophobicContact CB-CB 3.88Å; P383-D1367 VanDerWaalsContact CB-CG 3.42Å; P383-D1367 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 384 | S | 39.8 | Very low | 52.2 | Low | 58 Ų | 58 | 88.3 Ų | 88.3 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | trans | -136.9 | 124.9 | 174.7 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | I382 K386 D1367 | I382-S384 PolarHBondContact O-N 3.19Å; S384-K386 PolarHBondContact O-N 2.81Å; S384-D1367 VanDerWaalsContact CA-OD2 3.27Å; S384-D1367 WeakPolarHBondContact CA-OD2 3.36Å; S384-D1367 PolarHBondContact N-OD1 2.66Å; S384-D1367 PolarHBondContact N-OD2 3.3Å | ||
| 385 | S | 39.4 | Very low | 50.9 | Low | 87 Ų | 87 | 89 Ų | 89 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 38.2 | -148 | 52.5 | 0 | 0 | 0 | 0 | 116.4 | D1367 | S385-D1367 VanDerWaalsContact CA-OD2 3.23Å; S385-D1367 WeakPolarHBondContact CA-OD2 3.47Å; S385-D1367 PolarHBondContact N-OD2 3.17Å; S385-D1367 VanDerWaalsContact N-OD2 3.08Å |
| 386 | K | 40.9 | Very low | 50.1 | Low | 186 Ų | 186 | 87.1 Ų | 87.1 | 81% | 0.809 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 4.6 | -173.3 | -65.5 | -166.2 | 175.9 | -173.3 | 0 | 116.6 | S384 | S384-K386 PolarHBondContact O-N 2.81Š|
| 387 | S | 32.2 | Very low | 49.6 | Very low | 79 Ų | 79 | 82.8 Ų | 82.8 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | trans | -143.1 | 43.3 | -176.3 | 59.7 | 0 | 0 | 0 | 0 | 116.4 | Q389 | S387-Q389 VanDerWaalsContact C-N 3.27Å; S387-Q389 PolarHBondContact O-N 3.3Å | ||
| 388 | S | 31 | Very low | 49.6 | Very low | 77 Ų | 77 | 81.2 Ų | 81.2 | 54% | 0.538 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 25.6 | -173 | 54 | 0 | 0 | 0 | 0 | 117.2 | ||
| 389 | Q | 39.8 | Very low | 49.2 | Very low | 179 Ų | 179 | 78.9 Ų | 78.9 | 84% | 0.836 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -11.5 | -176.1 | -69.4 | -166.7 | -0.5 | 0 | 0 | 116.5 | S387 | S387-Q389 VanDerWaalsContact C-N 3.27Å; S387-Q389 PolarHBondContact O-N 3.3Å |
| 390 | N | 37.1 | Very low | 49.4 | Very low | 137 Ų | 137 | 72.2 Ų | 72.2 | 73% | 0.733 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -105.3 | -8.4 | -171.5 | -75.6 | -32.6 | 0 | 0 | 0 | 116.1 | ||
| 391 | L | 41.5 | Very low | 50 | Low | 61 Ų | 61 | 68.1 Ų | 68.1 | 32% | 0.319 | 37% | 0.372 | S | S | . | . | trans | -108.9 | 119.1 | 171.9 | -70.7 | 171.7 | 0 | 0 | 0 | 109.3 | Y376 | Y376-L391 HydrophobicContact CE2-CD2 4.11Š| ||
| 392 | K | 44.3 | Very low | 50.7 | Low | 201 Ų | 201 | 68.5 Ų | 68.5 | 87% | 0.874 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -81.9 | -13.9 | -170.2 | -72.8 | -177.1 | 177.3 | 175.4 | 0 | 115.3 | ||
| 393 | D | 48.5 | Very low | 51.5 | Low | 28 Ų | 28 | 70.3 Ų | 70.3 | 15% | 0.15 | 38% | 0.382 | C | S | . | . | trans | -119.4 | 122.1 | 180 | -59.2 | -39.3 | 0 | 0 | 0 | 108.2 | D395 I396 R425 | D393-D395 PolarHBondContact O-N 3.2Å; D393-I396 HydrophobicContact CB-CD1 3.97Å; D393-I396 HydrophobicContact CB-CG1 4.05Å; D393-I396 PolarHBondContact O-N 2.85Å; D393-R425 IonicContact OD1-CZ 2.67Å; D393-R425 IonicContact OD1-NH1 3.95Å; D393-R425 PolarHBondContact OD1-NH1 2.88Å; D393-R425 WeakPolarHBondContact OD2-CG 3.37Å | ||
| 394 | S | 43.6 | Very low | 52.9 | Low | 57 Ų | 57 | 69 Ų | 69 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -9.8 | -179.3 | 50.1 | 0 | 0 | 0 | 0 | 114 | I396 F1369 | S394-I396 PolarHBondContact O-N 2.96Å; S394-F1369 VanDerWaalsContact O-CE2 3.29Å; S394-F1369 WeakPolarHBondContact O-CE2 3.35Å |
| 395 | D | 49.8 | Very low | 54.6 | Low | 44 Ų | 44 | 66.2 Ų | 66.2 | 24% | 0.235 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 11.7 | 177.8 | -70.5 | -64.8 | 0 | 0 | 0 | 113.9 | D393 K439 | D393-D395 PolarHBondContact O-N 3.2Å; D395-K439 IonicContact OD1-NZ 3.43Å; D395-K439 PolarHBondContact OD1-NZ 3.44Å |
| 396 | I | 57.9 | Low | 56.5 | Low | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | trans | -112.4 | 80.2 | -177.4 | -47.1 | -173.5 | 0 | 0 | 0 | 111 | D393 S394 I401 L426 | D393-I396 HydrophobicContact CB-CD1 3.97Å; D393-I396 HydrophobicContact CB-CG1 4.05Å; D393-I396 PolarHBondContact O-N 2.85Å; S394-I396 PolarHBondContact O-N 2.96Å; I396-I401 HydrophobicContact CG2-CD1 4.01Å; I396-L426 HydrophobicContact CD1-CD1 4.38Å; I396-L426 HydrophobicContact CG1-CD1 3.98Å; I396-L426 HydrophobicContact CG2-CD1 4.3Å | ||
| 397 | S | 64.2 | Low | 58.4 | Low | 7 Ų | 7 | 56.6 Ų | 56.6 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | trans | -119.2 | 155.4 | 166.4 | 78 | 0 | 0 | 0 | 0 | 112.1 | A400 I401 F1369 | S397-A400 PolarHBondContact O-N 2.89Å; S397-A400 WeakPolarHBondContact OG-CB 3.42Å; S397-A400 PolarHBondContact OG-N 3.34Å; S397-I401 WeakPolarHBondContact O-CG1 3.42Å; S397-I401 PolarHBondContact O-N 2.75Å; S397-I401 VanDerWaalsContact O-N 3.09Å; S397-F1369 VanDerWaalsContact CB-CE2 3.46Å; S397-F1369 WeakPolarHBondContact OG-CD2 3.37Å; S397-F1369 WeakPolarHBondContact OG-CE2 3.35Å; S397-F1369 WeakPolarHBondContact OG-CG 3.43Å | ||
| 398 | L | 68.7 | Low | 61 | Low | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 174 | 179 | 67 | 0 | 0 | 0 | 113.5 | V366 A367 F381 I382 A400 I401 S402 | V366-L398 HydrophobicContact CB-CD1 4.34Å; V366-L398 HydrophobicContact CG1-CD1 3.99Å; A367-L398 HydrophobicContact CB-CD1 3.7Å; A367-L398 HydrophobicContact CB-CD2 3.71Å; A367-L398 HydrophobicContact CB-CG 4.35Å; F381-L398 HydrophobicContact CB-CB 4.29Å; F381-L398 VanDerWaalsContact O-CB 3.23Å; F381-L398 WeakPolarHBondContact O-CB 3.36Å; F381-L398 PolarHBondContact O-N 3Å; I382-L398 HydrophobicContact CG1-CD2 4.4Å; L398-A400 VanDerWaalsContact C-N 3.27Å; L398-A400 PolarHBondContact O-N 3.33Å; L398-I401 PolarHBondContact O-N 3.31Å; L398-S402 VanDerWaalsContact O-CB 3.22Å; L398-S402 WeakPolarHBondContact O-CB 3.49Å; L398-S402 PolarHBondContact O-N 3.35Å |
| 399 | P | 65.4 | Low | 63.7 | Low | 39 Ų | 39 | 50.4 Ų | 50.4 | 25% | 0.253 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.4 | -38.3 | 177.1 | -28.2 | 36.2 | 0 | 0 | 0 | 113.7 | P383 S402 Q403 | P383-P399 HydrophobicContact CG-CG 4.48Å; P399-S402 WeakPolarHBondContact O-CB 3.42Å; P399-Q403 WeakPolarHBondContact O-CB 3.06Å; P399-Q403 WeakPolarHBondContact O-CG 3.36Å; P399-Q403 PolarHBondContact O-N 3.4Å |
| 400 | A | 67 | Low | 66 | Low | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.9 | -44.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S397 L398 S402 Q403 M404 F1369 | S397-A400 PolarHBondContact O-N 2.89Å; S397-A400 WeakPolarHBondContact OG-CB 3.42Å; S397-A400 PolarHBondContact OG-N 3.34Å; L398-A400 VanDerWaalsContact C-N 3.27Å; L398-A400 PolarHBondContact O-N 3.33Å; A400-S402 VanDerWaalsContact C-N 3.3Å; A400-S402 PolarHBondContact O-N 3.21Å; A400-Q403 PolarHBondContact O-N 3.24Å; A400-M404 WeakPolarHBondContact O-CB 3.33Å; A400-M404 VanDerWaalsContact O-CG 3.27Å; A400-M404 WeakPolarHBondContact O-CG 3.47Å; A400-M404 PolarHBondContact O-N 3.35Å; A400-F1369 HydrophobicContact CB-CD1 3.56Å; A400-F1369 HydrophobicContact CB-CD2 4.36Å; A400-F1369 HydrophobicContact CB-CE1 3.17Å; A400-F1369 HydrophobicContact CB-CE2 4.01Å; A400-F1369 HydrophobicContact CB-CG 4.13Å; A400-F1369 HydrophobicContact CB-CZ 3.38Å |
| 401 | I | 75.2 | Confident | 68.4 | Low | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -35.7 | 178 | -60.3 | 165.1 | 0 | 0 | 0 | 110.1 | L370 I396 S397 L398 T405 L415 L426 | L370-I401 HydrophobicContact CD1-CB 4.29Å; L370-I401 HydrophobicContact CD1-CD1 4.24Å; L370-I401 HydrophobicContact CD1-CG2 3.68Å; I396-I401 HydrophobicContact CG2-CD1 4.01Å; S397-I401 WeakPolarHBondContact O-CG1 3.42Å; S397-I401 PolarHBondContact O-N 2.75Å; S397-I401 VanDerWaalsContact O-N 3.09Å; L398-I401 PolarHBondContact O-N 3.31Å; I401-T405 HydrophobicContact CG2-CG2 4.23Å; I401-T405 WeakPolarHBondContact O-CB 3.3Å; I401-T405 VanDerWaalsContact O-CG2 3.27Å; I401-T405 WeakPolarHBondContact O-CG2 3.44Å; I401-T405 PolarHBondContact O-N 2.94Å; I401-T405 PolarHBondContact O-OG1 2.94Å; I401-L415 HydrophobicContact CG2-CD1 3.99Å; I401-L426 HydrophobicContact CD1-CD1 4.06Å; I401-L426 HydrophobicContact CG1-CD1 4.25Å |
| 402 | S | 76.3 | Confident | 70.6 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.8 | -55.9 | 168.8 | 175 | 0 | 0 | 0 | 0 | 111.1 | E363 L398 P399 A400 M404 T405 Y406 | E363-S402 VanDerWaalsContact OE1-CB 3.23Å; E363-S402 WeakPolarHBondContact OE1-CB 3.4Å; E363-S402 PolarHBondContact OE1-OG 3.16Å; L398-S402 VanDerWaalsContact O-CB 3.22Å; L398-S402 WeakPolarHBondContact O-CB 3.49Å; L398-S402 PolarHBondContact O-N 3.35Å; P399-S402 WeakPolarHBondContact O-CB 3.42Å; A400-S402 VanDerWaalsContact C-N 3.3Å; A400-S402 PolarHBondContact O-N 3.21Å; S402-M404 PolarHBondContact O-N 2.78Å; S402-T405 PolarHBondContact O-N 3.09Å; S402-T405 PolarHBondContact O-OG1 2.94Å; S402-Y406 WeakPolarHBondContact O-CA 3.35Å; S402-Y406 PolarHBondContact O-N 2.85Å |
| 403 | Q | 73.2 | Confident | 72.6 | Confident | 123 Ų | 123 | 25.6 Ų | 25.6 | 58% | 0.575 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -62 | -39.2 | -179.8 | -72.8 | 172.3 | 30.7 | 0 | 0 | 113.5 | P399 A400 Y406 | P399-Q403 WeakPolarHBondContact O-CB 3.06Å; P399-Q403 WeakPolarHBondContact O-CG 3.36Å; P399-Q403 PolarHBondContact O-N 3.4Å; A400-Q403 PolarHBondContact O-N 3.24Å; Q403-Y406 WeakPolarHBondContact O-CD2 3.45Å; Q403-Y406 WeakPolarHBondContact O-CE2 3.3Å |
| 404 | M | 74.5 | Confident | 74.4 | Confident | 22 Ų | 22 | 24.5 Ų | 24.5 | 11% | 0.108 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.6 | -29.1 | 178.9 | -68.7 | 178.7 | -170 | 0 | 0 | 113.2 | A400 S402 V430 K439 L441 | A400-M404 WeakPolarHBondContact O-CB 3.33Å; A400-M404 VanDerWaalsContact O-CG 3.27Å; A400-M404 WeakPolarHBondContact O-CG 3.47Å; A400-M404 PolarHBondContact O-N 3.35Å; S402-M404 PolarHBondContact O-N 2.78Å; M404-V430 HydrophobicContact CE-CG2 4.43Å; M404-V430 HydrophobicContact SD-CG2 4.5Å; M404-K439 HydrophobicContact CE-CB 4.05Å; M404-L441 HydrophobicContact CB-CD1 4.31Å; M404-L441 HydrophobicContact SD-CB 4.46Å; M404-L441 HydrophobicContact SD-CD1 3.94Å; M404-L441 HydrophobicContact SD-CG 4.49Å |
| 405 | T | 76.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -93.6 | -16.2 | 178.1 | 59 | 0 | 0 | 0 | 0 | 113.9 | I401 S402 G407 L408 A411 V412 L415 W443 I535 | I401-T405 HydrophobicContact CG2-CG2 4.23Å; I401-T405 WeakPolarHBondContact O-CB 3.3Å; I401-T405 VanDerWaalsContact O-CG2 3.27Å; I401-T405 WeakPolarHBondContact O-CG2 3.44Å; I401-T405 PolarHBondContact O-N 2.94Å; I401-T405 PolarHBondContact O-OG1 2.94Å; S402-T405 PolarHBondContact O-N 3.09Å; S402-T405 PolarHBondContact O-OG1 2.94Å; T405-G407 PolarHBondContact O-N 3.2Å; T405-G407 PolarHBondContact OG1-N 2.8Å; T405-L408 PolarHBondContact O-N 3.12Å; T405-A411 HydrophobicContact CG2-CB 4.4Å; T405-V412 HydrophobicContact CG2-CG2 3.98Å; T405-L415 HydrophobicContact CG2-CD1 3.42Å; T405-L415 VanDerWaalsContact CG2-CD1 3.42Å; T405-L415 HydrophobicContact CG2-CG 4.29Å; T405-W443 HydrophobicContact CG2-CH2 4.13Å; T405-W443 HydrophobicContact CG2-CZ2 4.35Å; T405-I535 WeakPolarHBondContact O-CD1 3.47Å |
| 406 | Y | 79.3 | Confident | 77.9 | Confident | 69 Ų | 69 | 19.8 Ų | 19.8 | 27% | 0.271 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 29.2 | -171.1 | -58 | -90.1 | 0 | 0 | 0 | 113 | D360 S402 Q403 L408 P484 I535 D538 | D360-Y406 WeakPolarHBondContact CB-O 3.42Å; S402-Y406 WeakPolarHBondContact O-CA 3.35Å; S402-Y406 PolarHBondContact O-N 2.85Å; Q403-Y406 WeakPolarHBondContact O-CD2 3.45Å; Q403-Y406 WeakPolarHBondContact O-CE2 3.3Å; Y406-L408 VanDerWaalsContact C-N 3.27Å; Y406-L408 PolarHBondContact O-N 2.79Å; Y406-P484 HydrophobicContact CE1-CB 3.73Å; Y406-P484 HydrophobicContact CE1-CG 4.06Å; Y406-I535 HydrophobicContact CD2-CG1 3.74Å; Y406-I535 HydrophobicContact CE2-CG1 4.47Å; Y406-D538 VanDerWaalsContact CE2-OD2 3.29Å; Y406-D538 WeakPolarHBondContact CE2-OD2 3.16Å; Y406-D538 PolarHBondContact OH-OD2 3.39Å; Y406-D538 VanDerWaalsContact OH-OD2 3.06Å |
| 407 | G | 80.7 | Confident | 79 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 5.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L361 T405 P409 | L361-G407 VanDerWaalsContact CB-O 3.24Å; L361-G407 WeakPolarHBondContact CB-O 3.3Å; L361-G407 VanDerWaalsContact CG-O 3.25Å; L361-G407 WeakPolarHBondContact CG-O 3.27Å; L361-G407 PolarHBondContact N-O 3.22Å; T405-G407 PolarHBondContact O-N 3.2Å; T405-G407 PolarHBondContact OG1-N 2.8Å; G407-P409 WeakPolarHBondContact O-CD 3.5Å |
| 408 | L | 87.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -66 | 118.8 | -175.9 | -174.6 | 72.6 | 0 | 0 | 0 | 111.1 | T405 Y406 F410 A411 V412 V457 F461 I535 | T405-L408 PolarHBondContact O-N 3.12Å; Y406-L408 VanDerWaalsContact C-N 3.27Å; Y406-L408 PolarHBondContact O-N 2.79Å; L408-F410 VanDerWaalsContact C-N 3.26Å; L408-F410 PolarHBondContact O-N 2.8Å; L408-A411 HydrophobicContact CB-CB 4.06Å; L408-A411 HydrophobicContact CD2-CB 4.37Å; L408-A411 WeakPolarHBondContact O-CB 3.19Å; L408-A411 PolarHBondContact O-N 3.3Å; L408-V412 PolarHBondContact O-N 2.9Å; L408-V412 VanDerWaalsContact O-N 3.11Å; L408-V457 HydrophobicContact CD2-CG1 4.22Å; L408-F461 HydrophobicContact CD2-CE2 4.23Å; L408-F461 HydrophobicContact CD2-CZ 4.39Å; L408-I535 HydrophobicContact CB-CD1 3.85Å; L408-I535 HydrophobicContact CD2-CD1 3.83Å; L408-I535 HydrophobicContact CG-CD1 4.49Å | ||
| 409 | P | 87.4 | Confident | 80.3 | Confident | 27 Ų | 27 | 20.2 Ų | 20.2 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.1 | -36.8 | -171.1 | -26.6 | 31.7 | 0 | 0 | 0 | 114.8 | L361 G407 S413 | L361-P409 HydrophobicContact CD1-CB 4.26Å; L361-P409 HydrophobicContact CD1-CG 4.24Å; L361-P409 HydrophobicContact CD2-CG 4.27Å; L361-P409 HydrophobicContact CG-CG 3.99Å; G407-P409 WeakPolarHBondContact O-CD 3.5Å; P409-S413 WeakPolarHBondContact O-CB 3.32Å; P409-S413 PolarHBondContact O-N 3.02Å; P409-S413 VanDerWaalsContact O-N 3.09Å; P409-S413 PolarHBondContact O-OG 3.42Å |
| 410 | F | 87.6 | Confident | 80.9 | Confident | 18 Ų | 18 | 24.6 Ų | 24.6 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 177.1 | -175.9 | -127.5 | 0 | 0 | 0 | 112.9 | G187 L408 L414 S450 Y452 V457 A460 | G187-F410 PolarHBondContact O-N 3.35Å; L408-F410 VanDerWaalsContact C-N 3.26Å; L408-F410 PolarHBondContact O-N 2.8Å; F410-L414 HydrophobicContact CD1-CD1 4.19Å; F410-L414 HydrophobicContact CD2-CD1 4.47Å; F410-L414 HydrophobicContact CE1-CD1 3.86Å; F410-L414 HydrophobicContact CE2-CD1 4.15Å; F410-L414 HydrophobicContact CE2-CG 4.33Å; F410-L414 HydrophobicContact CG-CD1 4.48Å; F410-L414 HydrophobicContact CZ-CD1 3.83Å; F410-L414 HydrophobicContact CZ-CG 4.45Å; F410-L414 WeakPolarHBondContact O-CG 3.3Å; F410-L414 PolarHBondContact O-N 2.86Å; F410-L414 VanDerWaalsContact O-N 3.07Å; F410-S450 WeakPolarHBondContact CE2-OG 3.5Å; F410-Y452 HydrophobicContact CD1-CD1 4.33Å; F410-Y452 HydrophobicContact CD2-CD1 4.11Å; F410-Y452 HydrophobicContact CE1-CD1 4.2Å; F410-Y452 AromaticContact CE2-CD1 3.98Å; F410-Y452 HydrophobicContact CE2-CD1 3.98Å; F410-Y452 HydrophobicContact CE2-CG 4.46Å; F410-Y452 HydrophobicContact CG-CD1 4.29Å; F410-Y452 HydrophobicContact CZ-CD1 4.03Å; F410-V457 HydrophobicContact CD1-CG2 4.12Å; F410-V457 HydrophobicContact CE1-CG2 4.27Å; F410-A460 HydrophobicContact CE1-CB 4.35Å |
| 411 | A | 87.6 | Confident | 81 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.2 | -45.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T405 L408 S413 L414 L415 W443 V457 I535 | T405-A411 HydrophobicContact CG2-CB 4.4Å; L408-A411 HydrophobicContact CB-CB 4.06Å; L408-A411 HydrophobicContact CD2-CB 4.37Å; L408-A411 WeakPolarHBondContact O-CB 3.19Å; L408-A411 PolarHBondContact O-N 3.3Å; A411-S413 VanDerWaalsContact C-N 3.31Å; A411-S413 PolarHBondContact O-N 3.46Å; A411-L414 PolarHBondContact O-N 2.74Å; A411-L415 PolarHBondContact O-N 2.85Å; A411-W443 HydrophobicContact CB-CH2 3.68Å; A411-W443 HydrophobicContact CB-CZ2 4.18Å; A411-W443 HydrophobicContact CB-CZ3 4.02Å; A411-V457 HydrophobicContact CB-CG2 4.25Å; A411-I535 HydrophobicContact CB-CD1 3.65Å |
| 412 | V | 87.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 176.3 | -170.1 | 0 | 0 | 0 | 0 | 110.9 | L361 V366 L369 L370 T405 L408 L414 L415 G416 | L361-V412 HydrophobicContact CD1-CG2 4.37Å; V366-V412 HydrophobicContact CG1-CG1 4.08Å; V366-V412 HydrophobicContact CG1-CG2 4.46Å; V366-V412 HydrophobicContact CG2-CG2 4.11Å; L369-V412 HydrophobicContact CB-CG1 4.06Å; L369-V412 HydrophobicContact CD2-CB 3.84Å; L369-V412 HydrophobicContact CD2-CG1 3.69Å; L369-V412 HydrophobicContact CG-CG1 4.45Å; L370-V412 HydrophobicContact CD2-CG1 4.07Å; L370-V412 HydrophobicContact CG-CG1 4.07Å; T405-V412 HydrophobicContact CG2-CG2 3.98Å; L408-V412 PolarHBondContact O-N 2.9Å; L408-V412 VanDerWaalsContact O-N 3.11Å; V412-L414 PolarHBondContact O-N 3.14Å; V412-L415 PolarHBondContact O-N 3.05Å; V412-G416 PolarHBondContact O-N 2.96Å |
| 413 | S | 87.3 | Confident | 79.2 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63 | -38.8 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | P409 A411 S417 | P409-S413 WeakPolarHBondContact O-CB 3.32Å; P409-S413 PolarHBondContact O-N 3.02Å; P409-S413 VanDerWaalsContact O-N 3.09Å; P409-S413 PolarHBondContact O-OG 3.42Å; A411-S413 VanDerWaalsContact C-N 3.31Å; A411-S413 PolarHBondContact O-N 3.46Å; S413-S417 WeakPolarHBondContact O-CB 3.48Å; S413-S417 PolarHBondContact O-N 3.31Å |
| 414 | L | 86.4 | Confident | 78.5 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 176 | -75.1 | 167.2 | 0 | 0 | 0 | 111.5 | F410 A411 V412 S417 L418 I446 R448 V457 | F410-L414 HydrophobicContact CD1-CD1 4.19Å; F410-L414 HydrophobicContact CD2-CD1 4.47Å; F410-L414 HydrophobicContact CE1-CD1 3.86Å; F410-L414 HydrophobicContact CE2-CD1 4.15Å; F410-L414 HydrophobicContact CE2-CG 4.33Å; F410-L414 HydrophobicContact CG-CD1 4.48Å; F410-L414 HydrophobicContact CZ-CD1 3.83Å; F410-L414 HydrophobicContact CZ-CG 4.45Å; F410-L414 WeakPolarHBondContact O-CG 3.3Å; F410-L414 PolarHBondContact O-N 2.86Å; F410-L414 VanDerWaalsContact O-N 3.07Å; A411-L414 PolarHBondContact O-N 2.74Å; V412-L414 PolarHBondContact O-N 3.14Å; L414-S417 PolarHBondContact O-N 3.49Å; L414-S417 PolarHBondContact O-OG 3.4Å; L414-L418 PolarHBondContact O-N 2.85Å; L414-L418 VanDerWaalsContact O-N 3.11Å; L414-I446 HydrophobicContact CB-CG2 4.42Å; L414-R448 HydrophobicContact CD2-CB 3.88Å; L414-V457 HydrophobicContact CD1-CG2 3.53Å |
| 415 | L | 83.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 175.5 | -65.9 | -172 | 0 | 0 | 0 | 112.3 | I401 T405 A411 V412 S417 L418 L419 L426 L441 W443 I446 | I401-L415 HydrophobicContact CG2-CD1 3.99Å; T405-L415 HydrophobicContact CG2-CD1 3.42Å; T405-L415 VanDerWaalsContact CG2-CD1 3.42Å; T405-L415 HydrophobicContact CG2-CG 4.29Å; A411-L415 PolarHBondContact O-N 2.85Å; V412-L415 PolarHBondContact O-N 3.05Å; L415-S417 PolarHBondContact O-N 3.26Å; L415-L418 HydrophobicContact CD2-CD1 4.25Å; L415-L418 WeakPolarHBondContact O-CB 3.43Å; L415-L418 PolarHBondContact O-N 3.11Å; L415-L419 WeakPolarHBondContact O-CG 3.46Å; L415-L419 PolarHBondContact O-N 2.88Å; L415-L426 HydrophobicContact CD2-CD2 4.33Å; L415-L441 HydrophobicContact CD1-CD1 3.91Å; L415-L441 HydrophobicContact CD2-CD1 3.87Å; L415-L441 HydrophobicContact CD2-CD2 4.23Å; L415-W443 HydrophobicContact CD1-CH2 3.97Å; L415-W443 HydrophobicContact CD2-CH2 3.98Å; L415-W443 HydrophobicContact CD2-CZ3 4.08Å; L415-W443 HydrophobicContact CG-CH2 3.8Å; L415-W443 HydrophobicContact CG-CZ3 4.2Å; L415-I446 HydrophobicContact CD2-CD1 3.61Å |
| 416 | G | 82.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -38 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W373 V412 L418 Y420 | W373-G416 VanDerWaalsContact CE3-C 3.41Å; V412-G416 PolarHBondContact O-N 2.96Å; G416-L418 VanDerWaalsContact C-N 3.34Å; G416-L418 PolarHBondContact O-N 2.85Å; G416-Y420 VanDerWaalsContact O-CB 3.29Å; G416-Y420 WeakPolarHBondContact O-CB 3.38Å; G416-Y420 PolarHBondContact O-N 2.83Å |
| 417 | S | 81.9 | Confident | 76.8 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 12% | 0.119 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.1 | -24.9 | 175 | 84.6 | 0 | 0 | 0 | 0 | 114.2 | S413 L414 L415 N421 | S413-S417 WeakPolarHBondContact O-CB 3.48Å; S413-S417 PolarHBondContact O-N 3.31Å; L414-S417 PolarHBondContact O-N 3.49Å; L414-S417 PolarHBondContact O-OG 3.4Å; L415-S417 PolarHBondContact O-N 3.26Å; S417-N421 PolarHBondContact O-ND2 3.21Å |
| 418 | L | 81.7 | Confident | 76.2 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.1 | -52.2 | 172 | -70.1 | 169.1 | 0 | 0 | 0 | 110.6 | L414 L415 G416 Y420 N421 Y429 I446 R448 | L414-L418 PolarHBondContact O-N 2.85Å; L414-L418 VanDerWaalsContact O-N 3.11Å; L415-L418 HydrophobicContact CD2-CD1 4.25Å; L415-L418 WeakPolarHBondContact O-CB 3.43Å; L415-L418 PolarHBondContact O-N 3.11Å; G416-L418 VanDerWaalsContact C-N 3.34Å; G416-L418 PolarHBondContact O-N 2.85Å; L418-Y420 VanDerWaalsContact C-N 3.31Å; L418-Y420 PolarHBondContact O-N 3.35Å; L418-N421 PolarHBondContact O-N 2.95Å; L418-Y429 HydrophobicContact CD1-CD2 4.34Å; L418-Y429 HydrophobicContact CD1-CE2 3.93Å; L418-Y429 HydrophobicContact CD2-CE2 4.33Å; L418-I446 HydrophobicContact CD1-CB 4.5Å; L418-I446 HydrophobicContact CD1-CD1 3.53Å; L418-I446 HydrophobicContact CD1-CG1 3.76Å; L418-I446 HydrophobicContact CD1-CG2 4.01Å; L418-R448 HydrophobicContact CD2-CG 4.12Å |
| 419 | L | 77.5 | Confident | 75.3 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -41.7 | -178.7 | -68.5 | 170.9 | 0 | 0 | 0 | 112.2 | L370 T374 L415 N421 Q422 L426 | L370-L419 HydrophobicContact CD2-CD1 4.26Å; T374-L419 HydrophobicContact CG2-CB 3.79Å; T374-L419 HydrophobicContact CG2-CD1 4.35Å; L415-L419 WeakPolarHBondContact O-CG 3.46Å; L415-L419 PolarHBondContact O-N 2.88Å; L419-N421 PolarHBondContact O-N 3.23Å; L419-Q422 PolarHBondContact O-N 2.83Å; L419-L426 HydrophobicContact CD1-CD1 4.44Å; L419-L426 HydrophobicContact CD2-CD1 3.94Å; L419-L426 HydrophobicContact CD2-CG 4.11Å |
| 420 | Y | 79 | Confident | 74.5 | Confident | 131 Ų | 131 | 50 Ų | 50 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.9 | 176.5 | 179.7 | -110.9 | 0 | 0 | 0 | 113.9 | W373 G416 L418 | W373-Y420 WeakPolarHBondContact O-CB 3.33Å; W373-Y420 WeakPolarHBondContact O-CD2 3.46Å; G416-Y420 VanDerWaalsContact O-CB 3.29Å; G416-Y420 WeakPolarHBondContact O-CB 3.38Å; G416-Y420 PolarHBondContact O-N 2.83Å; L418-Y420 VanDerWaalsContact C-N 3.31Å; L418-Y420 PolarHBondContact O-N 3.35Å |
| 421 | N | 68 | Low | 73.3 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -5.1 | -174.9 | -82.5 | -73.6 | 0 | 0 | 0 | 114.2 | S417 L418 L419 I423 R448 | S417-N421 PolarHBondContact O-ND2 3.21Å; L418-N421 PolarHBondContact O-N 2.95Å; L419-N421 PolarHBondContact O-N 3.23Å; N421-I423 WeakPolarHBondContact O-CG1 3.49Å; N421-I423 PolarHBondContact O-N 2.79Å; N421-R448 PolarHBondContact ND2-NH1 3.06Å; N421-R448 VanDerWaalsContact ND2-NH1 3.11Å |
| 422 | Q | 57.9 | Low | 71.8 | Confident | 174 Ų | 174 | 56.6 Ų | 56.6 | 81% | 0.813 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 55.3 | -10.6 | 179.3 | -60.6 | -172.1 | -6.8 | 0 | 0 | 118.1 | L419 | L419-Q422 PolarHBondContact O-N 2.83Š|
| 423 | I | 56.4 | Low | 70 | Confident | 135 Ų | 135 | 58.6 Ų | 58.6 | 69% | 0.692 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -80.9 | -14.7 | -174 | -71 | 157.7 | 0 | 0 | 0 | 113.1 | N421 | N421-I423 WeakPolarHBondContact O-CG1 3.49Å; N421-I423 PolarHBondContact O-N 2.79Å |
| 424 | H | 58.6 | Low | 67.9 | Low | 59 Ų | 59 | 62.5 Ų | 62.5 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | trans | -128.4 | 142.8 | -177.6 | -50.7 | -78.1 | 0 | 0 | 0 | 110.8 | Y429 R448 | H424-Y429 HydrophobicContact CB-CE2 3.9Å; H424-Y429 PolarHBondContact ND1-OH 2.87Å; H424-R448 PolarHBondContact CD2-NH2 2.89Å; H424-R448 PolarHBondContact NE2-NH2 2.95Å | ||
| 425 | R | 60.7 | Low | 65.9 | Low | 134 Ų | 134 | 66.2 Ų | 66.2 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | trans | -93.9 | 158.4 | 169.1 | -56.3 | -176 | -172.7 | -142.4 | 10.8 | 110.5 | D393 S427 D428 | D393-R425 IonicContact OD1-CZ 2.67Å; D393-R425 IonicContact OD1-NH1 3.95Å; D393-R425 PolarHBondContact OD1-NH1 2.88Å; D393-R425 WeakPolarHBondContact OD2-CG 3.37Å; R425-S427 VanDerWaalsContact C-N 3.29Å; R425-S427 WeakPolarHBondContact CB-OG 3.39Å; R425-D428 PolarHBondContact N-OD2 3.02Å; R425-D428 PolarHBondContact O-N 3.02Å | ||
| 426 | L | 67.3 | Low | 63.7 | Low | 10 Ų | 10 | 69.7 Ų | 69.7 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -65.9 | -34.6 | 171.4 | -92.5 | 165 | 0 | 0 | 0 | 111.6 | I396 I401 L415 L419 D428 Y429 V430 L441 | I396-L426 HydrophobicContact CD1-CD1 4.38Å; I396-L426 HydrophobicContact CG1-CD1 3.98Å; I396-L426 HydrophobicContact CG2-CD1 4.3Å; I401-L426 HydrophobicContact CD1-CD1 4.06Å; I401-L426 HydrophobicContact CG1-CD1 4.25Å; L415-L426 HydrophobicContact CD2-CD2 4.33Å; L419-L426 HydrophobicContact CD1-CD1 4.44Å; L419-L426 HydrophobicContact CD2-CD1 3.94Å; L419-L426 HydrophobicContact CD2-CG 4.11Å; L426-D428 PolarHBondContact O-N 3.22Å; L426-D428 VanDerWaalsContact O-N 3.16Å; L426-Y429 PolarHBondContact O-N 3.44Å; L426-Y429 VanDerWaalsContact O-N 3.11Å; L426-V430 WeakPolarHBondContact O-CG2 3.37Å; L426-V430 PolarHBondContact O-N 2.85Å; L426-L441 HydrophobicContact CD2-CD1 3.94Å |
| 427 | S | 67.2 | Low | 62 | Low | 48 Ų | 48 | 72.3 Ų | 72.3 | 34% | 0.336 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -52.3 | -34.5 | 174.6 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | R425 Y429 V430 | R425-S427 VanDerWaalsContact C-N 3.29Å; R425-S427 WeakPolarHBondContact CB-OG 3.39Å; S427-Y429 PolarHBondContact O-N 2.95Å; S427-Y429 VanDerWaalsContact O-N 3.14Å; S427-V430 PolarHBondContact O-N 3.12Å |
| 428 | D | 67.9 | Low | 60.5 | Low | 99 Ų | 99 | 74.5 Ų | 74.5 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -68.9 | -13.7 | -175 | -50.5 | -19.8 | 0 | 0 | 0 | 112.5 | R425 L426 | R425-D428 PolarHBondContact N-OD2 3.02Å; R425-D428 PolarHBondContact O-N 3.02Å; L426-D428 PolarHBondContact O-N 3.22Å; L426-D428 VanDerWaalsContact O-N 3.16Å |
| 429 | Y | 68.8 | Low | 59.6 | Low | 36 Ų | 36 | 77.1 Ų | 77.1 | 14% | 0.141 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -119.5 | 0.8 | -179.3 | -58.5 | -71.6 | 0 | 0 | 0 | 113.8 | L418 H424 L426 S427 L441 D442 A445 I446 | L418-Y429 HydrophobicContact CD1-CD2 4.34Å; L418-Y429 HydrophobicContact CD1-CE2 3.93Å; L418-Y429 HydrophobicContact CD2-CE2 4.33Å; H424-Y429 HydrophobicContact CB-CE2 3.9Å; H424-Y429 PolarHBondContact ND1-OH 2.87Å; L426-Y429 PolarHBondContact O-N 3.44Å; L426-Y429 VanDerWaalsContact O-N 3.11Å; S427-Y429 PolarHBondContact O-N 2.95Å; S427-Y429 VanDerWaalsContact O-N 3.14Å; Y429-L441 WeakPolarHBondContact O-CA 3.39Å; Y429-D442 PolarHBondContact O-N 3.05Å; Y429-A445 HydrophobicContact CD1-CB 4.01Å; Y429-A445 HydrophobicContact CE1-CB 4.27Å; Y429-I446 HydrophobicContact CD1-CG1 3.8Å; Y429-I446 HydrophobicContact CD2-CG1 4.47Å; Y429-I446 HydrophobicContact CE1-CG1 4.01Å; Y429-I446 HydrophobicContact CG-CD1 4.29Å; Y429-I446 HydrophobicContact CG-CG1 4.04Å |
| 430 | V | 69 | Low | 59.2 | Low | 39 Ų | 39 | 76.4 Ų | 76.4 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.1 | 179.2 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | M404 L426 S427 K439 F440 | M404-V430 HydrophobicContact CE-CG2 4.43Å; M404-V430 HydrophobicContact SD-CG2 4.5Å; L426-V430 WeakPolarHBondContact O-CG2 3.37Å; L426-V430 PolarHBondContact O-N 2.85Å; S427-V430 PolarHBondContact O-N 3.12Å; V430-K439 HydrophobicContact CG1-CB 3.83Å; V430-K439 HydrophobicContact CG1-CD 4.27Å; V430-K439 HydrophobicContact CG1-CG 4.04Å; V430-F440 CarbonylContact C-O 3.52Å; V430-F440 WeakPolarHBondContact CA-O 3.25Å |
| 431 | I | 63.2 | Low | 58.9 | Low | 66 Ų | 66 | 70.4 Ų | 70.4 | 34% | 0.338 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128 | 174.5 | -59.5 | -177.7 | 0 | 0 | 0 | 109.3 | V433 F440 D442 | I431-V433 HydrophobicContact CG2-CG2 3.97Å; I431-F440 HydrophobicContact CB-CE2 4.21Å; I431-F440 HydrophobicContact CB-CZ 4.38Å; I431-F440 HydrophobicContact CG2-CE2 4.48Å; I431-F440 HydrophobicContact CG2-CZ 4.21Å; I431-F440 PolarHBondContact N-O 2.91Å; I431-F440 PolarHBondContact O-N 3.14Å; I431-F440 VanDerWaalsContact O-N 3.08Å; I431-D442 HydrophobicContact CD1-CB 3.79Å; I431-D442 HydrophobicContact CG1-CB 4.25Å |
| 432 | S | 56.6 | Low | 59.3 | Low | 90 Ų | 90 | 69 Ų | 69 | 63% | 0.629 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 105.2 | 165.8 | 60.2 | 0 | 0 | 0 | 0 | 110 | N434 | S432-N434 PolarHBondContact O-N 2.77Å |
| 433 | V | 49.6 | Very low | 60.2 | Low | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | trans | -78.1 | 121.3 | 177.8 | 168.8 | 0 | 0 | 0 | 0 | 111 | I431 G435 T436 F440 | I431-V433 HydrophobicContact CG2-CG2 3.97Å; V433-G435 PolarHBondContact O-N 2.67Å; V433-G435 VanDerWaalsContact O-N 3.17Å; V433-T436 PolarHBondContact O-N 2.78Å; V433-T436 PolarHBondContact O-OG1 3.24Å; V433-F440 HydrophobicContact CB-CE1 4.02Å; V433-F440 HydrophobicContact CG2-CE1 3.43Å; V433-F440 VanDerWaalsContact CG2-CE1 3.43Å; V433-F440 HydrophobicContact CG2-CZ 3.48Å; V433-F440 VanDerWaalsContact CG2-CZ 3.48Å | ||
| 434 | N | 42.8 | Very low | 61.2 | Low | 121 Ų | 121 | 57.2 Ų | 57.2 | 65% | 0.647 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 43.8 | 159.3 | -60 | -11.8 | 0 | 0 | 0 | 117 | S432 T436 | S432-N434 PolarHBondContact O-N 2.77Å; N434-T436 PolarHBondContact O-N 3.16Å |
| 435 | G | 43.7 | Very low | 62 | Low | 83 Ų | 83 | 56.7 Ų | 56.7 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | -6.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V433 | V433-G435 PolarHBondContact O-N 2.67Å; V433-G435 VanDerWaalsContact O-N 3.17Å |
| 436 | T | 37 | Very low | 62.8 | Low | 74 Ų | 74 | 50.3 Ų | 50.3 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | trans | -76 | 122.2 | 163.2 | 44.5 | 0 | 0 | 0 | 0 | 109 | V433 N434 S438 | V433-T436 PolarHBondContact O-N 2.78Å; V433-T436 PolarHBondContact O-OG1 3.24Å; N434-T436 PolarHBondContact O-N 3.16Å; T436-S438 PolarHBondContact O-N 2.54Å | ||
| 437 | G | 46.5 | Very low | 63.4 | Low | 55 Ų | 55 | 56 Ų | 56 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -68.8 | 19.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | K439 | G437-K439 PolarHBondContact O-N 2.79Š|
| 438 | S | 50.6 | Low | 63.9 | Low | 63 Ų | 63 | 56.4 Ų | 56.4 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | trans | -83.9 | 98.9 | 172 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | T436 | T436-S438 PolarHBondContact O-N 2.54Š| ||
| 439 | K | 63.3 | Low | 64.2 | Low | 63 Ų | 63 | 57.3 Ų | 57.3 | 27% | 0.274 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 135.3 | 164.4 | -64.1 | 175.1 | -170.3 | 161.8 | 0 | 109.1 | D395 M404 V430 G437 D1370 | D395-K439 IonicContact OD1-NZ 3.43Å; D395-K439 PolarHBondContact OD1-NZ 3.44Å; M404-K439 HydrophobicContact CE-CB 4.05Å; V430-K439 HydrophobicContact CG1-CB 3.83Å; V430-K439 HydrophobicContact CG1-CD 4.27Å; V430-K439 HydrophobicContact CG1-CG 4.04Å; G437-K439 PolarHBondContact O-N 2.79Å; K439-D1370 IonicContact NZ-OD1 3.52Å; K439-D1370 PolarHBondContact NZ-OD1 3.27Å; K439-D1370 IonicContact NZ-OD2 2.73Å; K439-D1370 PolarHBondContact NZ-OD2 2.99Å |
| 440 | F | 68.8 | Low | 64.5 | Low | 17 Ų | 17 | 57.2 Ų | 57.2 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 170.2 | 165.7 | 67.1 | -98.5 | 0 | 0 | 0 | 111 | V430 I431 V433 | V430-F440 CarbonylContact C-O 3.52Å; V430-F440 WeakPolarHBondContact CA-O 3.25Å; I431-F440 HydrophobicContact CB-CE2 4.21Å; I431-F440 HydrophobicContact CB-CZ 4.38Å; I431-F440 HydrophobicContact CG2-CE2 4.48Å; I431-F440 HydrophobicContact CG2-CZ 4.21Å; I431-F440 PolarHBondContact N-O 2.91Å; I431-F440 PolarHBondContact O-N 3.14Å; I431-F440 VanDerWaalsContact O-N 3.08Å; V433-F440 HydrophobicContact CB-CE1 4.02Å; V433-F440 HydrophobicContact CG2-CE1 3.43Å; V433-F440 VanDerWaalsContact CG2-CE1 3.43Å; V433-F440 HydrophobicContact CG2-CZ 3.48Å; V433-F440 VanDerWaalsContact CG2-CZ 3.48Å |
| 441 | L | 73.5 | Confident | 64.6 | Low | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.8 | -165.5 | -141.4 | 164.9 | 0 | 0 | 0 | 111.2 | M404 L415 L426 Y429 W443 I446 | M404-L441 HydrophobicContact CB-CD1 4.31Å; M404-L441 HydrophobicContact SD-CB 4.46Å; M404-L441 HydrophobicContact SD-CD1 3.94Å; M404-L441 HydrophobicContact SD-CG 4.49Å; L415-L441 HydrophobicContact CD1-CD1 3.91Å; L415-L441 HydrophobicContact CD2-CD1 3.87Å; L415-L441 HydrophobicContact CD2-CD2 4.23Å; L426-L441 HydrophobicContact CD2-CD1 3.94Å; Y429-L441 WeakPolarHBondContact O-CA 3.39Å; L441-W443 PolarHBondContact O-N 3.35Å; L441-I446 HydrophobicContact CD2-CD1 3.34Å; L441-I446 HydrophobicContact CD2-CG1 4.37Å |
| 442 | D | 75.5 | Confident | 65.2 | Low | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 39% | 0.391 | C | S | . | . | trans | -76.5 | 87.2 | -178.7 | -170.3 | -7.6 | 0 | 0 | 0 | 113 | Y429 I431 V444 A445 I446 | Y429-D442 PolarHBondContact O-N 3.05Å; I431-D442 HydrophobicContact CD1-CB 3.79Å; I431-D442 HydrophobicContact CG1-CB 4.25Å; D442-V444 PolarHBondContact O-N 2.8Å; D442-V444 VanDerWaalsContact OD1-CA 3.31Å; D442-V444 WeakPolarHBondContact OD1-CA 3.05Å; D442-V444 VanDerWaalsContact OD1-CB 3.26Å; D442-V444 WeakPolarHBondContact OD1-CB 3.37Å; D442-V444 PolarHBondContact OD1-N 2.85Å; D442-A445 HydrophobicContact CB-CB 3.95Å; D442-A445 PolarHBondContact O-N 3.31Å; D442-A445 PolarHBondContact OD1-N 3.41Å; D442-A445 WeakPolarHBondContact OD2-CB 3.5Å; D442-I446 PolarHBondContact O-N 2.97Å; D442-I446 VanDerWaalsContact O-N 3.11Å | ||
| 443 | W | 77.8 | Confident | 66 | Low | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.015 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.6 | 172.1 | -62.2 | 113.4 | 0 | 0 | 0 | 115.3 | T405 A411 L415 L441 I446 V457 L539 | T405-W443 HydrophobicContact CG2-CH2 4.13Å; T405-W443 HydrophobicContact CG2-CZ2 4.35Å; A411-W443 HydrophobicContact CB-CH2 3.68Å; A411-W443 HydrophobicContact CB-CZ2 4.18Å; A411-W443 HydrophobicContact CB-CZ3 4.02Å; L415-W443 HydrophobicContact CD1-CH2 3.97Å; L415-W443 HydrophobicContact CD2-CH2 3.98Å; L415-W443 HydrophobicContact CD2-CZ3 4.08Å; L415-W443 HydrophobicContact CG-CH2 3.8Å; L415-W443 HydrophobicContact CG-CZ3 4.2Å; L441-W443 PolarHBondContact O-N 3.35Å; W443-I446 HydrophobicContact CE3-CD1 4.32Å; W443-I446 HydrophobicContact CZ3-CD1 4.28Å; W443-V457 HydrophobicContact CD2-CG2 4.25Å; W443-V457 HydrophobicContact CE3-CB 4.34Å; W443-V457 HydrophobicContact CE3-CG2 3.62Å; W443-V457 HydrophobicContact CZ3-CG2 4.03Å; W443-L539 HydrophobicContact CB-CD2 3.54Å; W443-L539 HydrophobicContact CG-CD2 4.3Å |
| 444 | V | 76.3 | Confident | 67.6 | Low | 56 Ų | 56 | 58.2 Ų | 58.2 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -35 | 172.6 | -172.4 | 0 | 0 | 0 | 0 | 110.8 | D442 K447 F458 | D442-V444 PolarHBondContact O-N 2.8Å; D442-V444 VanDerWaalsContact OD1-CA 3.31Å; D442-V444 WeakPolarHBondContact OD1-CA 3.05Å; D442-V444 VanDerWaalsContact OD1-CB 3.26Å; D442-V444 WeakPolarHBondContact OD1-CB 3.37Å; D442-V444 PolarHBondContact OD1-N 2.85Å; V444-K447 WeakPolarHBondContact O-CE 3.44Å; V444-F458 HydrophobicContact CG2-CB 4.4Å; V444-F458 HydrophobicContact CG2-CG 4.4Å |
| 445 | A | 76.6 | Confident | 69.3 | Low | 48 Ų | 48 | 55.9 Ų | 55.9 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -37.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y429 D442 K447 | Y429-A445 HydrophobicContact CD1-CB 4.01Å; Y429-A445 HydrophobicContact CE1-CB 4.27Å; D442-A445 HydrophobicContact CB-CB 3.95Å; D442-A445 PolarHBondContact O-N 3.31Å; D442-A445 PolarHBondContact OD1-N 3.41Å; D442-A445 WeakPolarHBondContact OD2-CB 3.5Å; A445-K447 PolarHBondContact O-N 3.33Å |
| 446 | I | 77.7 | Confident | 71.2 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | trans | -70 | 111.5 | 176.7 | -67.5 | -178.7 | 0 | 0 | 0 | 111 | L414 L415 L418 Y429 L441 D442 W443 S456 | L414-I446 HydrophobicContact CB-CG2 4.42Å; L415-I446 HydrophobicContact CD2-CD1 3.61Å; L418-I446 HydrophobicContact CD1-CB 4.5Å; L418-I446 HydrophobicContact CD1-CD1 3.53Å; L418-I446 HydrophobicContact CD1-CG1 3.76Å; L418-I446 HydrophobicContact CD1-CG2 4.01Å; Y429-I446 HydrophobicContact CD1-CG1 3.8Å; Y429-I446 HydrophobicContact CD2-CG1 4.47Å; Y429-I446 HydrophobicContact CE1-CG1 4.01Å; Y429-I446 HydrophobicContact CG-CD1 4.29Å; Y429-I446 HydrophobicContact CG-CG1 4.04Å; L441-I446 HydrophobicContact CD2-CD1 3.34Å; L441-I446 HydrophobicContact CD2-CG1 4.37Å; D442-I446 PolarHBondContact O-N 2.97Å; D442-I446 VanDerWaalsContact O-N 3.11Å; W443-I446 HydrophobicContact CE3-CD1 4.32Å; W443-I446 HydrophobicContact CZ3-CD1 4.28Å; I446-S456 WeakPolarHBondContact O-CB 3.3Å | ||
| 447 | K | 79 | Confident | 73.5 | Confident | 129 Ų | 129 | 48.6 Ų | 48.6 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | trans | -132.2 | 118.7 | 172.2 | -68.2 | 170.1 | -174.6 | 156.3 | 0 | 110.1 | V444 A445 D455 | V444-K447 WeakPolarHBondContact O-CE 3.44Å; A445-K447 PolarHBondContact O-N 3.33Å; K447-D455 CarbonylContact C-O 3.53Å; K447-D455 VanDerWaalsContact CA-O 3.3Å; K447-D455 WeakPolarHBondContact CA-O 3.15Å; K447-D455 HydrophobicContact CB-CB 4.43Å | ||
| 448 | R | 78.2 | Confident | 75.2 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | trans | -142.3 | 133.7 | 174.5 | -71.2 | -62.9 | -176.9 | 134.4 | -7.9 | 110.1 | L414 L418 N421 H424 S450 D455 | L414-R448 HydrophobicContact CD2-CB 3.88Å; L418-R448 HydrophobicContact CD2-CG 4.12Å; N421-R448 PolarHBondContact ND2-NH1 3.06Å; N421-R448 VanDerWaalsContact ND2-NH1 3.11Å; H424-R448 PolarHBondContact CD2-NH2 2.89Å; H424-R448 PolarHBondContact NE2-NH2 2.95Å; R448-S450 PolarHBondContact O-N 2.85Å; R448-D455 PolarHBondContact N-O 3.48Å; R448-D455 WeakPolarHBondContact O-CA 3.21Å | ||
| 449 | P | 74.9 | Confident | 76.8 | Confident | 117 Ų | 117 | 48.3 Ų | 48.3 | 76% | 0.76 | 28% | 0.284 | S | S | * | . | trans | -63.1 | 129.6 | 179.8 | 27.2 | -34.5 | 0 | 0 | 0 | 109.9 | ||||
| 450 | S | 73.1 | Confident | 77.8 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | trans | -125.9 | 152.3 | -174.2 | 78.7 | 0 | 0 | 0 | 0 | 112.7 | F410 R448 Y452 G453 Y454 | F410-S450 WeakPolarHBondContact CE2-OG 3.5Å; R448-S450 PolarHBondContact O-N 2.85Å; S450-Y452 PolarHBondContact O-N 3.09Å; S450-Y452 VanDerWaalsContact O-N 3.08Å; S450-Y452 PolarHBondContact OG-N 3.2Å; S450-G453 PolarHBondContact O-N 2.89Å; S450-G453 VanDerWaalsContact O-N 3.08Å; S450-Y454 WeakPolarHBondContact CB-O 3.24Å; S450-Y454 PolarHBondContact OG-O 3.33Å | ||
| 451 | A | 73 | Confident | 78.6 | Confident | 121 Ų | 121 | 44.7 Ų | 44.7 | 100% | 1 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 452 | Y | 74.2 | Confident | 79 | Confident | 63 Ų | 63 | 48 Ų | 48 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -10.7 | 175.2 | -169.9 | -136.6 | 0 | 0 | 0 | 112.9 | G187 F410 S450 Y454 A460 | G187-Y452 PolarHBondContact N-OH 3.21Å; F410-Y452 HydrophobicContact CD1-CD1 4.33Å; F410-Y452 HydrophobicContact CD2-CD1 4.11Å; F410-Y452 HydrophobicContact CE1-CD1 4.2Å; F410-Y452 AromaticContact CE2-CD1 3.98Å; F410-Y452 HydrophobicContact CE2-CD1 3.98Å; F410-Y452 HydrophobicContact CE2-CG 4.46Å; F410-Y452 HydrophobicContact CG-CD1 4.29Å; F410-Y452 HydrophobicContact CZ-CD1 4.03Å; S450-Y452 PolarHBondContact O-N 3.09Å; S450-Y452 VanDerWaalsContact O-N 3.08Å; S450-Y452 PolarHBondContact OG-N 3.2Å; Y452-Y454 AromaticContact CD1-CD2 3.57Å; Y452-Y454 HydrophobicContact CD1-CD2 3.57Å; Y452-Y454 HydrophobicContact CD1-CE2 4.27Å; Y452-Y454 HydrophobicContact CD1-CG 4.37Å; Y452-Y454 AromaticContact CE1-CD2 3.8Å; Y452-Y454 HydrophobicContact CE1-CD2 3.8Å; Y452-Y454 HydrophobicContact CE1-CE2 4.13Å; Y452-Y454 HydrophobicContact CG-CD2 4.04Å; Y452-Y454 WeakPolarHBondContact O-CD2 3.26Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.32Å; Y452-A460 HydrophobicContact CE1-CB 4.23Å |
| 453 | G | 74.8 | Confident | 79.3 | Confident | 61 Ų | 61 | 50 Ų | 50 | 63% | 0.629 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 80.1 | 20.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S450 | S450-G453 PolarHBondContact O-N 2.89Å; S450-G453 VanDerWaalsContact O-N 3.08Å |
| 454 | Y | 81.7 | Confident | 79.5 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | trans | -132.2 | 135.5 | 174.8 | -61.7 | -96.8 | 0 | 0 | 0 | 108.7 | R340 S450 Y452 Q459 A460 K463 | R340-Y454 PolarHBondContact NH2-OH 2.83Å; S450-Y454 WeakPolarHBondContact CB-O 3.24Å; S450-Y454 PolarHBondContact OG-O 3.33Å; Y452-Y454 AromaticContact CD1-CD2 3.57Å; Y452-Y454 HydrophobicContact CD1-CD2 3.57Å; Y452-Y454 HydrophobicContact CD1-CE2 4.27Å; Y452-Y454 HydrophobicContact CD1-CG 4.37Å; Y452-Y454 AromaticContact CE1-CD2 3.8Å; Y452-Y454 HydrophobicContact CE1-CD2 3.8Å; Y452-Y454 HydrophobicContact CE1-CE2 4.13Å; Y452-Y454 HydrophobicContact CG-CD2 4.04Å; Y452-Y454 WeakPolarHBondContact O-CD2 3.26Å; Y452-Y454 WeakPolarHBondContact O-CE2 3.32Å; Y454-Q459 HydrophobicContact CD1-CB 3.99Å; Y454-Q459 WeakPolarHBondContact CD1-O 3.32Å; Y454-A460 HydrophobicContact CD1-CB 3.99Å; Y454-A460 HydrophobicContact CE1-CB 4.45Å; Y454-A460 HydrophobicContact CG-CB 4.05Å; Y454-K463 HydrophobicContact CE1-CB 4.38Å; Y454-K463 HydrophobicContact CE1-CD 4.01Å; Y454-K463 VanDerWaalsContact CE1-CE 3.46Å; Y454-K463 VanDerWaalsContact CZ-NZ 3.32Å; Y454-K463 PolarHBondContact OH-NZ 2.79Å | ||
| 455 | D | 79.1 | Confident | 79.9 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -82 | -24.4 | -179.5 | -56.1 | -50.6 | 0 | 0 | 0 | 112.7 | K447 R448 Q459 | K447-D455 CarbonylContact C-O 3.53Å; K447-D455 VanDerWaalsContact CA-O 3.3Å; K447-D455 WeakPolarHBondContact CA-O 3.15Å; K447-D455 HydrophobicContact CB-CB 4.43Å; R448-D455 PolarHBondContact N-O 3.48Å; R448-D455 WeakPolarHBondContact O-CA 3.21Å; D455-Q459 PolarHBondContact OD2-NE2 2.79Å |
| 456 | S | 83.6 | Confident | 80.3 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -142.8 | 161.6 | 179.1 | 80.3 | 0 | 0 | 0 | 0 | 112.9 | I446 F458 Q459 A460 | I446-S456 WeakPolarHBondContact O-CB 3.3Å; S456-F458 VanDerWaalsContact C-N 3.28Å; S456-F458 PolarHBondContact O-N 2.8Å; S456-Q459 PolarHBondContact O-N 3.25Å; S456-Q459 PolarHBondContact OG-N 3.12Å; S456-A460 PolarHBondContact O-N 2.94Å |
| 457 | V | 84.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 176.7 | -170.2 | 0 | 0 | 0 | 0 | 111 | L408 F410 A411 L414 W443 Q459 A460 F461 I535 | L408-V457 HydrophobicContact CD2-CG1 4.22Å; F410-V457 HydrophobicContact CD1-CG2 4.12Å; F410-V457 HydrophobicContact CE1-CG2 4.27Å; A411-V457 HydrophobicContact CB-CG2 4.25Å; L414-V457 HydrophobicContact CD1-CG2 3.53Å; W443-V457 HydrophobicContact CD2-CG2 4.25Å; W443-V457 HydrophobicContact CE3-CB 4.34Å; W443-V457 HydrophobicContact CE3-CG2 3.62Å; W443-V457 HydrophobicContact CZ3-CG2 4.03Å; V457-Q459 PolarHBondContact O-N 2.56Å; V457-A460 PolarHBondContact O-N 3.31Å; V457-F461 HydrophobicContact CG1-CD2 3.86Å; V457-F461 HydrophobicContact CG1-CE2 3.67Å; V457-F461 WeakPolarHBondContact O-CD2 3.37Å; V457-F461 PolarHBondContact O-N 3.13Å; V457-I535 HydrophobicContact CG1-CG2 3.83Å |
| 458 | F | 83.9 | Confident | 80.7 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 20% | 0.197 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 175 | -179 | -99.2 | 0 | 0 | 0 | 112.4 | V444 S456 A460 F461 D462 L539 Y543 | V444-F458 HydrophobicContact CG2-CB 4.4Å; V444-F458 HydrophobicContact CG2-CG 4.4Å; S456-F458 VanDerWaalsContact C-N 3.28Å; S456-F458 PolarHBondContact O-N 2.8Å; F458-A460 PolarHBondContact O-N 3.12Å; F458-A460 VanDerWaalsContact O-N 3.16Å; F458-F461 PolarHBondContact O-N 3.03Å; F458-F461 VanDerWaalsContact O-N 3.16Å; F458-D462 HydrophobicContact CD1-CB 4.24Å; F458-D462 HydrophobicContact CE1-CB 3.88Å; F458-D462 HydrophobicContact CZ-CB 4.03Å; F458-D462 VanDerWaalsContact O-CB 3.27Å; F458-D462 WeakPolarHBondContact O-CB 3.42Å; F458-D462 PolarHBondContact O-N 2.78Å; F458-L539 HydrophobicContact CB-CD2 3.95Å; F458-L539 HydrophobicContact CD2-CD1 4.46Å; F458-L539 HydrophobicContact CD2-CD2 4.02Å; F458-L539 HydrophobicContact CG-CD2 4.48Å; F458-Y543 HydrophobicContact CE2-CD2 4.29Å; F458-Y543 HydrophobicContact CZ-CD2 4.18Å; F458-Y543 HydrophobicContact CZ-CE2 4.34Å |
| 459 | Q | 82.9 | Confident | 81.1 | Confident | 68 Ų | 68 | 45.5 Ų | 45.5 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -30.9 | 178.9 | -69.4 | -179.6 | -5.6 | 0 | 0 | 112.9 | Y454 D455 S456 V457 K463 | Y454-Q459 HydrophobicContact CD1-CB 3.99Å; Y454-Q459 WeakPolarHBondContact CD1-O 3.32Å; D455-Q459 PolarHBondContact OD2-NE2 2.79Å; S456-Q459 PolarHBondContact O-N 3.25Å; S456-Q459 PolarHBondContact OG-N 3.12Å; V457-Q459 PolarHBondContact O-N 2.56Å; Q459-K463 WeakPolarHBondContact O-CB 3.21Å; Q459-K463 PolarHBondContact O-N 3.25Å |
| 460 | A | 83.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74 | -37.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P186 R340 F410 Y452 Y454 S456 V457 F458 S464 | P186-A460 HydrophobicContact CB-CB 4.03Å; R340-A460 PolarHBondContact NH1-O 3.28Å; F410-A460 HydrophobicContact CE1-CB 4.35Å; Y452-A460 HydrophobicContact CE1-CB 4.23Å; Y454-A460 HydrophobicContact CD1-CB 3.99Å; Y454-A460 HydrophobicContact CE1-CB 4.45Å; Y454-A460 HydrophobicContact CG-CB 4.05Å; S456-A460 PolarHBondContact O-N 2.94Å; V457-A460 PolarHBondContact O-N 3.31Å; F458-A460 PolarHBondContact O-N 3.12Å; F458-A460 VanDerWaalsContact O-N 3.16Å; A460-S464 PolarHBondContact O-OG 2.86Å; A460-S464 VanDerWaalsContact O-OG 3.04Å |
| 461 | F | 85.4 | Confident | 82.5 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -80.6 | -44.3 | 176.2 | -76.8 | -70.9 | 0 | 0 | 0 | 113 | P186 L408 V457 F458 K463 S464 I465 I535 Q536 L539 | P186-F461 HydrophobicContact CB-CD1 4.38Å; P186-F461 HydrophobicContact CB-CE1 4.36Å; P186-F461 HydrophobicContact CG-CD1 3.9Å; P186-F461 HydrophobicContact CG-CE1 4.03Å; L408-F461 HydrophobicContact CD2-CE2 4.23Å; L408-F461 HydrophobicContact CD2-CZ 4.39Å; V457-F461 HydrophobicContact CG1-CD2 3.86Å; V457-F461 HydrophobicContact CG1-CE2 3.67Å; V457-F461 WeakPolarHBondContact O-CD2 3.37Å; V457-F461 PolarHBondContact O-N 3.13Å; F458-F461 PolarHBondContact O-N 3.03Å; F458-F461 VanDerWaalsContact O-N 3.16Å; F461-K463 VanDerWaalsContact C-N 3.32Å; F461-K463 PolarHBondContact O-N 3.05Å; F461-S464 CarbonylContact O-C 3.51Å; F461-S464 WeakPolarHBondContact O-CA 3.45Å; F461-S464 VanDerWaalsContact O-CB 3.29Å; F461-S464 WeakPolarHBondContact O-CB 3.3Å; F461-S464 PolarHBondContact O-N 2.91Å; F461-I465 WeakPolarHBondContact O-CG1 3.34Å; F461-I465 PolarHBondContact O-N 2.92Å; F461-I535 HydrophobicContact CE2-CG2 4.15Å; F461-Q536 HydrophobicContact CD1-CG 3.93Å; F461-Q536 HydrophobicContact CE1-CG 3.6Å; F461-Q536 HydrophobicContact CE2-CG 4.45Å; F461-Q536 HydrophobicContact CG-CG 4.49Å; F461-Q536 HydrophobicContact CZ-CG 3.9Å; F461-L539 HydrophobicContact CB-CD1 4.41Å; F461-L539 HydrophobicContact CD2-CD1 3.77Å; F461-L539 HydrophobicContact CG-CD1 4.41Å |
| 462 | D | 83.7 | Confident | 83.4 | Confident | 73 Ų | 73 | 43.9 Ų | 43.9 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55 | -45.7 | 179.6 | 178.9 | 58.3 | 0 | 0 | 0 | 111.8 | F458 S464 I465 S466 | F458-D462 HydrophobicContact CD1-CB 4.24Å; F458-D462 HydrophobicContact CE1-CB 3.88Å; F458-D462 HydrophobicContact CZ-CB 4.03Å; F458-D462 VanDerWaalsContact O-CB 3.27Å; F458-D462 WeakPolarHBondContact O-CB 3.42Å; F458-D462 PolarHBondContact O-N 2.78Å; D462-S464 PolarHBondContact O-N 3.48Å; D462-S464 VanDerWaalsContact O-N 3.09Å; D462-I465 CarbonylContact O-C 3.57Å; D462-I465 WeakPolarHBondContact O-CA 3.26Å; D462-I465 PolarHBondContact O-N 2.86Å; D462-S466 PolarHBondContact O-N 3.1Å; D462-S466 PolarHBondContact O-OG 2.79Å |
| 463 | K | 80.2 | Confident | 84.1 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.1 | -22.1 | 175.4 | -150.5 | -169.3 | -74.5 | 171.7 | 0 | 113.1 | W320 Y454 Q459 F461 S466 | W320-K463 HydrophobicContact CH2-CB 3.89Å; W320-K463 HydrophobicContact CH2-CD 3.55Å; W320-K463 HydrophobicContact CH2-CG 3.5Å; W320-K463 VanDerWaalsContact CH2-O 3.29Å; W320-K463 WeakPolarHBondContact CH2-O 3.35Å; W320-K463 HydrophobicContact CZ2-CD 3.86Å; W320-K463 HydrophobicContact CZ2-CG 4.32Å; W320-K463 HydrophobicContact CZ3-CD 4.38Å; W320-K463 HydrophobicContact CZ3-CG 4.1Å; W320-K463 WeakPolarHBondContact CZ3-O 3.39Å; Y454-K463 HydrophobicContact CE1-CB 4.38Å; Y454-K463 HydrophobicContact CE1-CD 4.01Å; Y454-K463 VanDerWaalsContact CE1-CE 3.46Å; Y454-K463 VanDerWaalsContact CZ-NZ 3.32Å; Y454-K463 PolarHBondContact OH-NZ 2.79Å; Q459-K463 WeakPolarHBondContact O-CB 3.21Å; Q459-K463 PolarHBondContact O-N 3.25Å; F461-K463 VanDerWaalsContact C-N 3.32Å; F461-K463 PolarHBondContact O-N 3.05Å; K463-S466 WeakPolarHBondContact CA-OG 3.47Å; K463-S466 PolarHBondContact O-OG 3Å |
| 464 | S | 82.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -88.2 | -31.7 | 174.5 | -42.7 | 0 | 0 | 0 | 0 | 111.8 | P186 R340 A460 F461 D462 | P186-S464 WeakPolarHBondContact CG-OG 3.44Å; R340-S464 PolarHBondContact NH1-OG 3.4Å; R340-S464 VanDerWaalsContact NH1-OG 3.1Å; A460-S464 PolarHBondContact O-OG 2.86Å; A460-S464 VanDerWaalsContact O-OG 3.04Å; F461-S464 CarbonylContact O-C 3.51Å; F461-S464 WeakPolarHBondContact O-CA 3.45Å; F461-S464 VanDerWaalsContact O-CB 3.29Å; F461-S464 WeakPolarHBondContact O-CB 3.3Å; F461-S464 PolarHBondContact O-N 2.91Å; D462-S464 PolarHBondContact O-N 3.48Å; D462-S464 VanDerWaalsContact O-N 3.09Å |
| 465 | I | 85.3 | Confident | 85.3 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70 | -34.2 | 173.4 | -65.6 | 163.9 | 0 | 0 | 0 | 110.8 | F461 D462 L467 L468 Q473 Y476 L516 | F461-I465 WeakPolarHBondContact O-CG1 3.34Å; F461-I465 PolarHBondContact O-N 2.92Å; D462-I465 CarbonylContact O-C 3.57Å; D462-I465 WeakPolarHBondContact O-CA 3.26Å; D462-I465 PolarHBondContact O-N 2.86Å; I465-L467 PolarHBondContact O-N 3.13Å; I465-L467 VanDerWaalsContact O-N 3.12Å; I465-L468 HydrophobicContact CG2-CD1 4.49Å; I465-L468 VanDerWaalsContact O-CB 3.29Å; I465-L468 WeakPolarHBondContact O-CB 3.19Å; I465-L468 PolarHBondContact O-N 3.3Å; I465-Q473 HydrophobicContact CG2-CG 4.17Å; I465-Y476 HydrophobicContact CD1-CD1 4.24Å; I465-Y476 HydrophobicContact CD1-CE1 3.6Å; I465-Y476 HydrophobicContact CG1-CD1 4.41Å; I465-Y476 HydrophobicContact CG1-CE1 4Å; I465-L516 HydrophobicContact CG1-CD1 4.39Å; I465-L516 HydrophobicContact CG1-CD2 4.26Å |
| 466 | S | 84.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.5 | 178.3 | 63 | 0 | 0 | 0 | 0 | 115.1 | D462 K463 | D462-S466 PolarHBondContact O-N 3.1Å; D462-S466 PolarHBondContact O-OG 2.79Å; K463-S466 WeakPolarHBondContact CA-OG 3.47Å; K463-S466 PolarHBondContact O-OG 3Å |
| 467 | L | 80.1 | Confident | 86.2 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21.2 | 170.7 | -62.3 | 177.3 | 0 | 0 | 0 | 112.8 | W320 I465 Y514 | W320-L467 HydrophobicContact CE3-CD1 3.8Å; W320-L467 HydrophobicContact CE3-CD2 3.94Å; W320-L467 HydrophobicContact CE3-CG 4.23Å; W320-L467 HydrophobicContact CZ3-CD1 3.77Å; W320-L467 HydrophobicContact CZ3-CD2 4.01Å; W320-L467 HydrophobicContact CZ3-CG 3.97Å; I465-L467 PolarHBondContact O-N 3.13Å; I465-L467 VanDerWaalsContact O-N 3.12Å; L467-Y514 HydrophobicContact CB-CE1 4.28Å; L467-Y514 HydrophobicContact CD1-CD1 4.04Å; L467-Y514 HydrophobicContact CD1-CE1 3.99Å |
| 468 | L | 85.5 | Confident | 86.5 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -73.7 | 146.4 | 177.2 | -61.1 | 172 | 0 | 0 | 0 | 110.6 | I465 N472 Q473 L510 Y511 Y514 L516 | I465-L468 HydrophobicContact CG2-CD1 4.49Å; I465-L468 VanDerWaalsContact O-CB 3.29Å; I465-L468 WeakPolarHBondContact O-CB 3.19Å; I465-L468 PolarHBondContact O-N 3.3Å; L468-N472 HydrophobicContact CB-CB 4.08Å; L468-N472 HydrophobicContact CD2-CB 4.38Å; L468-Q473 HydrophobicContact CB-CG 3.82Å; L468-Q473 PolarHBondContact O-NE2 3.25Å; L468-L510 HydrophobicContact CD2-CD2 3.87Å; L468-L510 HydrophobicContact CD2-CG 4.26Å; L468-Y511 HydrophobicContact CD1-CD1 4.1Å; L468-Y511 HydrophobicContact CD1-CE1 3.73Å; L468-Y511 HydrophobicContact CD2-CD1 3.99Å; L468-Y511 HydrophobicContact CD2-CE1 4.01Å; L468-Y514 HydrophobicContact CD2-CD2 3.73Å; L468-Y514 HydrophobicContact CD2-CE2 4.02Å; L468-L516 HydrophobicContact CD1-CD1 3.77Å; L468-L516 HydrophobicContact CG-CD1 4.34Å |
| 469 | S | 87.7 | Confident | 86.9 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | trans | -58.8 | 153.7 | 167.8 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | E471 N472 Q473 | S469-E471 PolarHBondContact O-N 3.28Å; S469-N472 CarbonylContact O-C 3.14Å; S469-N472 WeakPolarHBondContact O-CA 2.98Å; S469-N472 PolarHBondContact O-N 3.23Å; S469-N472 WeakPolarHBondContact OG-CB 3.4Å; S469-N472 VanDerWaalsContact OG-CG 3.29Å; S469-N472 PolarHBondContact OG-N 2.97Å; S469-N472 PolarHBondContact OG-ND2 3.38Å; S469-Q473 WeakPolarHBondContact O-CG 3.5Å; S469-Q473 PolarHBondContact O-N 2.97Å | ||
| 470 | P | 87.6 | Confident | 87.2 | Confident | 105 Ų | 105 | 43.4 Ų | 43.4 | 68% | 0.682 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.2 | -30.1 | 179.9 | 21.8 | -33.1 | 0 | 0 | 0 | 113.4 | A474 | P470-A474 WeakPolarHBondContact O-CB 3.32Å; P470-A474 PolarHBondContact O-N 3.21Å |
| 471 | E | 89.4 | Confident | 87.5 | Confident | 111 Ų | 111 | 43.7 Ų | 43.7 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 168.6 | -69.7 | -173.2 | -160.6 | 0 | 0 | 111.6 | S469 Q473 A474 Y475 K503 | S469-E471 PolarHBondContact O-N 3.28Å; E471-Q473 VanDerWaalsContact C-N 3.35Å; E471-Q473 PolarHBondContact O-N 2.77Å; E471-A474 WeakPolarHBondContact O-CB 3.41Å; E471-A474 PolarHBondContact O-N 3.33Å; E471-A474 VanDerWaalsContact O-N 3.12Å; E471-Y475 HydrophobicContact CB-CE2 4.1Å; E471-Y475 VanDerWaalsContact O-CD2 3.29Å; E471-Y475 WeakPolarHBondContact O-CD2 3.48Å; E471-Y475 PolarHBondContact O-N 3.04Å; E471-K503 IonicContact OE2-NZ 3.72Å |
| 472 | N | 90.4 | Very high | 87.7 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.6 | -27.2 | -176.7 | -67.8 | -16.3 | 0 | 0 | 0 | 112.5 | L468 S469 Y475 Y476 L510 Y511 | L468-N472 HydrophobicContact CB-CB 4.08Å; L468-N472 HydrophobicContact CD2-CB 4.38Å; S469-N472 CarbonylContact O-C 3.14Å; S469-N472 WeakPolarHBondContact O-CA 2.98Å; S469-N472 PolarHBondContact O-N 3.23Å; S469-N472 WeakPolarHBondContact OG-CB 3.4Å; S469-N472 VanDerWaalsContact OG-CG 3.29Å; S469-N472 PolarHBondContact OG-N 2.97Å; S469-N472 PolarHBondContact OG-ND2 3.38Å; N472-Y475 WeakPolarHBondContact OD1-CD2 3.41Å; N472-Y476 WeakPolarHBondContact O-CB 3.28Å; N472-Y476 PolarHBondContact O-N 3.05Å; N472-L510 WeakPolarHBondContact ND2-CD2 3.29Å; N472-Y511 HydrophobicContact CB-CE1 4.47Å; N472-Y511 PolarHBondContact O-OH 2.85Å |
| 473 | Q | 89.8 | Confident | 87.7 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 166.7 | -64.8 | 177.6 | 18.4 | 0 | 0 | 111.2 | I465 L468 S469 E471 Y476 R477 | I465-Q473 HydrophobicContact CG2-CG 4.17Å; L468-Q473 HydrophobicContact CB-CG 3.82Å; L468-Q473 PolarHBondContact O-NE2 3.25Å; S469-Q473 WeakPolarHBondContact O-CG 3.5Å; S469-Q473 PolarHBondContact O-N 2.97Å; E471-Q473 VanDerWaalsContact C-N 3.35Å; E471-Q473 PolarHBondContact O-N 2.77Å; Q473-Y476 PolarHBondContact O-N 3.25Å; Q473-R477 WeakPolarHBondContact O-CG 3.13Å; Q473-R477 PolarHBondContact O-N 3.47Å |
| 474 | A | 89.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 42.2 Ų | 42.2 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.9 | -33.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P470 E471 R478 | P470-A474 WeakPolarHBondContact O-CB 3.32Å; P470-A474 PolarHBondContact O-N 3.21Å; E471-A474 WeakPolarHBondContact O-CB 3.41Å; E471-A474 PolarHBondContact O-N 3.33Å; E471-A474 VanDerWaalsContact O-N 3.12Å; A474-R478 WeakPolarHBondContact O-CG 3.22Å |
| 475 | Y | 92.5 | Very high | 87.4 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -37.5 | 170.1 | -62.1 | -36.9 | 0 | 0 | 0 | 112.2 | E471 N472 R478 W497 I499 V507 Y511 | E471-Y475 HydrophobicContact CB-CE2 4.1Å; E471-Y475 VanDerWaalsContact O-CD2 3.29Å; E471-Y475 WeakPolarHBondContact O-CD2 3.48Å; E471-Y475 PolarHBondContact O-N 3.04Å; N472-Y475 WeakPolarHBondContact OD1-CD2 3.41Å; Y475-R478 PolarHBondContact O-N 3.26Å; Y475-W497 HydrophobicContact CD1-CB 4.07Å; Y475-W497 AromaticContact CD1-CD1 3.85Å; Y475-W497 HydrophobicContact CD1-CD2 4.43Å; Y475-W497 AromaticContact CD1-CG 3.86Å; Y475-W497 HydrophobicContact CD1-CG 3.86Å; Y475-W497 HydrophobicContact CE1-CB 4.32Å; Y475-W497 HydrophobicContact CG-CD2 4.32Å; Y475-W497 HydrophobicContact CG-CG 4.22Å; Y475-W497 PolarHBondContact O-NE1 3.05Å; Y475-I499 HydrophobicContact CD1-CD1 4.36Å; Y475-I499 HydrophobicContact CE1-CD1 3.59Å; Y475-I499 HydrophobicContact CE2-CD1 3.96Å; Y475-I499 WeakPolarHBondContact OH-CD1 3.4Å; Y475-V507 HydrophobicContact CD2-CG1 4.35Å; Y475-V507 HydrophobicContact CD2-CG2 4.26Å; Y475-Y511 VanDerWaalsContact CB-OH 3.31Å; Y475-Y511 WeakPolarHBondContact CB-OH 3.19Å |
| 476 | Y | 90.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 179.1 | -174 | -98.9 | 0 | 0 | 0 | 111.5 | I465 N472 Q473 R478 L479 Y511 L516 L540 | I465-Y476 HydrophobicContact CD1-CD1 4.24Å; I465-Y476 HydrophobicContact CD1-CE1 3.6Å; I465-Y476 HydrophobicContact CG1-CD1 4.41Å; I465-Y476 HydrophobicContact CG1-CE1 4Å; N472-Y476 WeakPolarHBondContact O-CB 3.28Å; N472-Y476 PolarHBondContact O-N 3.05Å; Q473-Y476 PolarHBondContact O-N 3.25Å; Y476-R478 PolarHBondContact O-N 3.2Å; Y476-L479 HydrophobicContact CD2-CD1 3.95Å; Y476-L479 HydrophobicContact CE2-CD1 4.45Å; Y476-L479 VanDerWaalsContact O-CB 3.25Å; Y476-L479 WeakPolarHBondContact O-CB 3.32Å; Y476-L479 WeakPolarHBondContact O-CG 3.46Å; Y476-L479 PolarHBondContact O-N 3.06Å; Y476-Y511 WeakPolarHBondContact CA-OH 3.44Å; Y476-Y511 HydrophobicContact CD2-CD1 4.44Å; Y476-Y511 HydrophobicContact CD2-CD2 4.47Å; Y476-Y511 HydrophobicContact CD2-CE1 4.22Å; Y476-Y511 HydrophobicContact CD2-CE2 4.25Å; Y476-Y511 PolarHBondContact N-OH 3.26Å; Y476-L516 HydrophobicContact CE2-CB 4.1Å; Y476-L516 HydrophobicContact CE2-CD1 4.27Å; Y476-L540 HydrophobicContact CD1-CD1 4.19Å; Y476-L540 HydrophobicContact CD1-CD2 4.2Å; Y476-L540 HydrophobicContact CE1-CD1 3.85Å; Y476-L540 HydrophobicContact CE1-CD2 4.1Å; Y476-L540 HydrophobicContact CE1-CG 4.26Å |
| 477 | R | 90.7 | Very high | 87.4 | Confident | 98 Ų | 98 | 46.3 Ų | 46.3 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.6 | -34.5 | 175.1 | -72.5 | 179.5 | -174.7 | -163.6 | -1 | 113.3 | Q473 L479 V480 I544 | Q473-R477 WeakPolarHBondContact O-CG 3.13Å; Q473-R477 PolarHBondContact O-N 3.47Å; R477-L479 PolarHBondContact O-N 3.28Å; R477-V480 WeakPolarHBondContact O-CB 3.44Å; R477-V480 WeakPolarHBondContact O-CG1 3.49Å; R477-V480 PolarHBondContact O-N 3.44Å; R477-I544 HydrophobicContact CB-CD1 3.89Å; R477-I544 HydrophobicContact CG-CD1 4.24Å; R477-I544 WeakPolarHBondContact O-CD1 3.43Å |
| 478 | R | 91.4 | Very high | 87.7 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -67.8 | -15.5 | 178 | -67 | 173.7 | -170.6 | -169 | 10.5 | 113.9 | A474 Y475 Y476 V480 L496 Y552 | A474-R478 WeakPolarHBondContact O-CG 3.22Å; Y475-R478 PolarHBondContact O-N 3.26Å; Y476-R478 PolarHBondContact O-N 3.2Å; R478-V480 PolarHBondContact O-N 2.94Å; R478-L496 HydrophobicContact CB-CD1 4.37Å; R478-L496 HydrophobicContact CB-CD2 4.28Å; R478-L496 HydrophobicContact CB-CG 4.34Å; R478-Y552 HydrophobicContact CG-CD1 3.82Å; R478-Y552 HydrophobicContact CG-CE1 3.78Å |
| 479 | L | 90.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -72.1 | -10.3 | 178.2 | -59.7 | 172.8 | 0 | 0 | 0 | 113.1 | Y476 R477 I481 F482 L488 L496 W497 Y511 I532 L537 | Y476-L479 HydrophobicContact CD2-CD1 3.95Å; Y476-L479 HydrophobicContact CE2-CD1 4.45Å; Y476-L479 VanDerWaalsContact O-CB 3.25Å; Y476-L479 WeakPolarHBondContact O-CB 3.32Å; Y476-L479 WeakPolarHBondContact O-CG 3.46Å; Y476-L479 PolarHBondContact O-N 3.06Å; R477-L479 PolarHBondContact O-N 3.28Å; L479-I481 PolarHBondContact O-N 2.84Å; L479-F482 HydrophobicContact CB-CD2 4.27Å; L479-F482 HydrophobicContact CD2-CD2 4.05Å; L479-F482 HydrophobicContact CD2-CE2 3.76Å; L479-F482 VanDerWaalsContact O-CD2 3.31Å; L479-F482 WeakPolarHBondContact O-CD2 3.48Å; L479-F482 PolarHBondContact O-N 3.26Å; L479-F482 VanDerWaalsContact O-N 3.12Å; L479-L488 HydrophobicContact CD2-CD1 4.34Å; L479-L496 HydrophobicContact CD2-CD2 4.03Å; L479-W497 HydrophobicContact CD2-CZ2 3.88Å; L479-W497 HydrophobicContact CG-CZ2 4.38Å; L479-Y511 HydrophobicContact CD1-CD2 4.39Å; L479-Y511 HydrophobicContact CD1-CE2 3.99Å; L479-I532 HydrophobicContact CB-CD1 3.83Å; L479-I532 HydrophobicContact CD1-CD1 3.88Å; L479-I532 HydrophobicContact CD2-CD1 4.38Å; L479-I532 HydrophobicContact CG-CD1 4.25Å; L479-L537 WeakPolarHBondContact O-CD2 3.23Å |
| 480 | V | 90.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -55.9 | -20.9 | 178.5 | 71.5 | 0 | 0 | 0 | 0 | 114.4 | R477 R478 F482 L540 K541 I544 Q549 Y552 | R477-V480 WeakPolarHBondContact O-CB 3.44Å; R477-V480 WeakPolarHBondContact O-CG1 3.49Å; R477-V480 PolarHBondContact O-N 3.44Å; R478-V480 PolarHBondContact O-N 2.94Å; V480-F482 PolarHBondContact O-N 3.2Å; V480-L540 HydrophobicContact CB-CB 4.05Å; V480-L540 HydrophobicContact CG2-CB 3.82Å; V480-K541 HydrophobicContact CG2-CB 4.44Å; V480-K541 HydrophobicContact CG2-CG 3.85Å; V480-I544 HydrophobicContact CB-CD1 4.01Å; V480-I544 HydrophobicContact CG1-CD1 3.98Å; V480-I544 HydrophobicContact CG2-CD1 4.28Å; V480-Q549 HydrophobicContact CG1-CG 4.21Å; V480-Q549 HydrophobicContact CG2-CG 4.26Å; V480-Y552 HydrophobicContact CG1-CD2 4.01Å |
| 481 | I | 89.4 | Confident | 87.9 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -73.7 | -5.7 | 179.2 | 70 | 171.7 | 0 | 0 | 0 | 114.3 | L479 L496 Y552 H553 F556 | L479-I481 PolarHBondContact O-N 2.84Å; I481-L496 HydrophobicContact CD1-CD1 3.64Å; I481-L496 HydrophobicContact CD1-CD2 4.39Å; I481-Y552 VanDerWaalsContact CG2-CB 3.45Å; I481-H553 PolarHBondContact O-CE1 3.02Å; I481-F556 HydrophobicContact CD1-CB 3.77Å; I481-F556 HydrophobicContact CD1-CD1 4.12Å; I481-F556 HydrophobicContact CD1-CD2 4.01Å; I481-F556 HydrophobicContact CD1-CG 3.72Å |
| 482 | F | 90.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -98.9 | 158.7 | -178.5 | -61 | -57.2 | 0 | 0 | 0 | 112 | L479 V480 L488 V492 L496 F556 Y579 | L479-F482 HydrophobicContact CB-CD2 4.27Å; L479-F482 HydrophobicContact CD2-CD2 4.05Å; L479-F482 HydrophobicContact CD2-CE2 3.76Å; L479-F482 VanDerWaalsContact O-CD2 3.31Å; L479-F482 WeakPolarHBondContact O-CD2 3.48Å; L479-F482 PolarHBondContact O-N 3.26Å; L479-F482 VanDerWaalsContact O-N 3.12Å; V480-F482 PolarHBondContact O-N 3.2Å; F482-L488 HydrophobicContact CD1-CD2 3.65Å; F482-L488 HydrophobicContact CD2-CD1 3.57Å; F482-L488 HydrophobicContact CD2-CD2 3.94Å; F482-L488 HydrophobicContact CD2-CG 4.41Å; F482-L488 HydrophobicContact CE1-CD2 3.63Å; F482-L488 HydrophobicContact CE2-CD1 3.66Å; F482-L488 HydrophobicContact CE2-CD2 3.9Å; F482-L488 HydrophobicContact CE2-CG 4.45Å; F482-L488 HydrophobicContact CG-CD1 4.16Å; F482-L488 HydrophobicContact CG-CD2 3.83Å; F482-L488 HydrophobicContact CZ-CD1 4.33Å; F482-L488 HydrophobicContact CZ-CD2 3.76Å; F482-V492 HydrophobicContact CE1-CG1 4.41Å; F482-V492 HydrophobicContact CZ-CG1 4.19Å; F482-L496 HydrophobicContact CE2-CD2 3.6Å; F482-L496 HydrophobicContact CZ-CD2 3.9Å; F482-F556 HydrophobicContact CE1-CZ 4.35Å; F482-F556 HydrophobicContact CZ-CE2 4.39Å; F482-Y579 HydrophobicContact CD1-CE1 4.12Å; F482-Y579 HydrophobicContact CD1-CE2 4.39Å; F482-Y579 AromaticContact CD1-CZ 3.71Å; F482-Y579 WeakPolarHBondContact CD1-OH 3.48Å; F482-Y579 HydrophobicContact CE1-CD1 4.46Å; F482-Y579 AromaticContact CE1-CE1 3.65Å; F482-Y579 HydrophobicContact CE1-CE1 3.65Å; F482-Y579 AromaticContact CE1-CZ 3.75Å |
| 483 | E | 82.5 | Confident | 87.9 | Confident | 72 Ų | 72 | 32.1 Ų | 32.1 | 34% | 0.336 | 18% | 0.177 | S | C | . | . | trans | -105.7 | 154.2 | -179.5 | -66.1 | 177.5 | 150.6 | 0 | 0 | 110.4 | I486 K590 | E483-I486 HydrophobicContact CB-CD1 3.85Å; E483-I486 HydrophobicContact CB-CG1 4.31Å; E483-I486 WeakPolarHBondContact O-CB 3.37Å; E483-I486 WeakPolarHBondContact O-CG1 3.4Å; E483-I486 PolarHBondContact O-N 3.05Å; E483-K590 IonicContact OE1-NZ 3.71Å; E483-K590 PolarHBondContact OE1-NZ 2.87Å | ||
| 484 | P | 80.2 | Confident | 87.9 | Confident | 50 Ų | 50 | 29.7 Ų | 29.7 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 146.1 | 179.1 | 23.7 | -36 | 0 | 0 | 0 | 112.3 | Y406 I486 | Y406-P484 HydrophobicContact CE1-CB 3.73Å; Y406-P484 HydrophobicContact CE1-CG 4.06Å; P484-I486 PolarHBondContact O-N 2.68Å |
| 485 | G | 75.8 | Confident | 88 | Confident | 64 Ų | 64 | 28.1 Ų | 28.1 | 66% | 0.66 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -6.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 486 | I | 84.1 | Confident | 88 | Confident | 37 Ų | 37 | 27 Ų | 27 | 19% | 0.19 | 15% | 0.149 | C | C | . | . | trans | -74.9 | 130.9 | -179.5 | -61.7 | -165 | 0 | 0 | 0 | 111.6 | E483 P484 L488 Y579 | E483-I486 HydrophobicContact CB-CD1 3.85Å; E483-I486 HydrophobicContact CB-CG1 4.31Å; E483-I486 WeakPolarHBondContact O-CB 3.37Å; E483-I486 WeakPolarHBondContact O-CG1 3.4Å; E483-I486 PolarHBondContact O-N 3.05Å; P484-I486 PolarHBondContact O-N 2.68Å; I486-L488 HydrophobicContact CG2-CD2 4.02Å; I486-Y579 HydrophobicContact CD1-CE2 3.8Å; I486-Y579 HydrophobicContact CG2-CD2 3.65Å; I486-Y579 HydrophobicContact CG2-CE2 3.61Å | ||
| 487 | V | 85.5 | Confident | 88.1 | Confident | 68 Ų | 68 | 27.2 Ų | 27.2 | 41% | 0.412 | 15% | 0.149 | S | C | . | . | trans | -89.8 | 109.8 | 178 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | I522 T531 | V487-I522 HydrophobicContact CG1-CD1 3.84Å; V487-I522 HydrophobicContact CG1-CG1 4.37Å; V487-T531 HydrophobicContact CB-CG2 4.47Å; V487-T531 HydrophobicContact CG2-CG2 3.88Å | ||
| 488 | L | 87.4 | Confident | 88.2 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 139.6 | 179.9 | -54.2 | 176.9 | 0 | 0 | 0 | 111.1 | L479 F482 I486 G529 Y530 I532 | L479-L488 HydrophobicContact CD2-CD1 4.34Å; F482-L488 HydrophobicContact CD1-CD2 3.65Å; F482-L488 HydrophobicContact CD2-CD1 3.57Å; F482-L488 HydrophobicContact CD2-CD2 3.94Å; F482-L488 HydrophobicContact CD2-CG 4.41Å; F482-L488 HydrophobicContact CE1-CD2 3.63Å; F482-L488 HydrophobicContact CE2-CD1 3.66Å; F482-L488 HydrophobicContact CE2-CD2 3.9Å; F482-L488 HydrophobicContact CE2-CG 4.45Å; F482-L488 HydrophobicContact CG-CD1 4.16Å; F482-L488 HydrophobicContact CG-CD2 3.83Å; F482-L488 HydrophobicContact CZ-CD1 4.33Å; F482-L488 HydrophobicContact CZ-CD2 3.76Å; I486-L488 HydrophobicContact CG2-CD2 4.02Å; L488-G529 CarbonylContact O-C 3.51Å; L488-G529 VanDerWaalsContact O-CA 3.31Å; L488-G529 WeakPolarHBondContact O-CA 3.29Å; L488-Y530 PolarHBondContact N-O 3.49Å; L488-Y530 PolarHBondContact O-N 3.11Å; L488-I532 HydrophobicContact CD1-CD1 3.87Å |
| 489 | T | 88 | Confident | 88.2 | Confident | 11 Ų | 11 | 23.6 Ų | 23.6 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | trans | -100.3 | 153.4 | 172.9 | 60.2 | 0 | 0 | 0 | 0 | 111 | K491 V492 C493 I522 | T489-K491 PolarHBondContact O-N 2.76Å; T489-K491 VanDerWaalsContact O-N 3.17Å; T489-V492 PolarHBondContact O-N 3.03Å; T489-V492 VanDerWaalsContact OG1-CG2 3.26Å; T489-V492 WeakPolarHBondContact OG1-CG2 3.34Å; T489-V492 PolarHBondContact OG1-N 2.72Å; T489-C493 PolarHBondContact O-N 3.27Å; T489-C493 VanDerWaalsContact O-N 3.14Å; T489-I522 HydrophobicContact CG2-CD1 4.2Å | ||
| 490 | P | 88.2 | Confident | 88.2 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -48.8 | -41.4 | 173.8 | -31.1 | 36.9 | 0 | 0 | 0 | 113.4 | V492 C493 G494 E501 A504 E505 L508 C528 Y530 | P490-V492 PolarHBondContact O-N 2.89Å; P490-C493 PolarHBondContact O-N 3.4Å; P490-G494 PolarHBondContact O-N 3.05Å; P490-E501 HydrophobicContact CB-CG 3.89Å; P490-A504 WeakPolarHBondContact O-CB 3.33Å; P490-E505 HydrophobicContact CB-CB 4.16Å; P490-E505 HydrophobicContact CG-CB 4.23Å; P490-E505 HydrophobicContact CG-CG 4.4Å; P490-L508 HydrophobicContact CB-CD1 4.37Å; P490-L508 HydrophobicContact CG-CD1 4.29Å; P490-C528 VanDerWaalsContact CD-O 3.29Å; P490-C528 WeakPolarHBondContact CD-O 3.35Å; P490-Y530 HydrophobicContact CG-CE2 3.9Å |
| 491 | K | 87.4 | Confident | 88.1 | Confident | 36 Ų | 36 | 30.4 Ų | 30.4 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.3 | -45.7 | 174.5 | -143 | 177.3 | -131.5 | 81.4 | 0 | 113.9 | T489 G494 I495 E501 E576 | T489-K491 PolarHBondContact O-N 2.76Å; T489-K491 VanDerWaalsContact O-N 3.17Å; K491-G494 PolarHBondContact O-N 3.33Å; K491-I495 WeakPolarHBondContact O-CG1 3.35Å; K491-I495 PolarHBondContact O-N 3.04Å; K491-E501 VanDerWaalsContact CB-OE1 3.29Å; K491-E501 WeakPolarHBondContact CB-OE1 3.39Å; K491-E501 WeakPolarHBondContact CE-OE2 3.23Å; K491-E501 PolarHBondContact N-OE1 2.73Å; K491-E501 IonicContact NZ-OE1 3.56Å; K491-E501 PolarHBondContact NZ-OE1 3.08Å; K491-E501 IonicContact NZ-OE2 3.9Å; K491-E501 PolarHBondContact NZ-OE2 2.72Å; K491-E576 HydrophobicContact CD-CB 4Å; K491-E576 HydrophobicContact CD-CG 4.44Å; K491-E576 VanDerWaalsContact CD-OE2 3.25Å; K491-E576 WeakPolarHBondContact CD-OE2 3.23Å; K491-E576 WeakPolarHBondContact CE-OE2 3.35Å; K491-E576 IonicContact NZ-OE1 2.84Å; K491-E576 PolarHBondContact NZ-OE1 3.25Å; K491-E576 IonicContact NZ-OE2 3Å; K491-E576 PolarHBondContact NZ-OE2 3.42Å; K491-E576 VanDerWaalsContact NZ-OE2 3.09Å |
| 492 | V | 89.6 | Confident | 88 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.4 | 171 | 0 | 0 | 0 | 0 | 110.6 | F482 T489 P490 I495 L496 F556 Y579 | F482-V492 HydrophobicContact CE1-CG1 4.41Å; F482-V492 HydrophobicContact CZ-CG1 4.19Å; T489-V492 PolarHBondContact O-N 3.03Å; T489-V492 VanDerWaalsContact OG1-CG2 3.26Å; T489-V492 WeakPolarHBondContact OG1-CG2 3.34Å; T489-V492 PolarHBondContact OG1-N 2.72Å; P490-V492 PolarHBondContact O-N 2.89Å; V492-I495 PolarHBondContact O-N 3.23Å; V492-L496 PolarHBondContact O-N 2.9Å; V492-F556 HydrophobicContact CG1-CE2 4.13Å; V492-F556 HydrophobicContact CG1-CZ 4.07Å; V492-Y579 HydrophobicContact CG1-CD1 4.15Å |
| 493 | C | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71 | -36.7 | 177.4 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | T489 P490 I495 L496 W497 L508 | T489-C493 PolarHBondContact O-N 3.27Å; T489-C493 VanDerWaalsContact O-N 3.14Å; P490-C493 PolarHBondContact O-N 3.4Å; C493-I495 VanDerWaalsContact C-N 3.32Å; C493-I495 PolarHBondContact O-N 3.23Å; C493-L496 WeakPolarHBondContact O-CB 3.35Å; C493-L496 PolarHBondContact O-N 3.38Å; C493-W497 HydrophobicContact CB-CD2 4.4Å; C493-W497 HydrophobicContact CB-CE3 3.95Å; C493-W497 HydrophobicContact CB-CH2 3.86Å; C493-W497 HydrophobicContact CB-CZ2 4.3Å; C493-W497 HydrophobicContact CB-CZ3 3.66Å; C493-W497 WeakPolarHBondContact O-CB 3.29Å; C493-W497 PolarHBondContact O-N 3.29Å; C493-L508 HydrophobicContact CB-CD1 3.96Å; C493-L508 HydrophobicContact CB-CG 4.48Å |
| 494 | G | 90.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P490 K491 W497 A498 I499 | P490-G494 PolarHBondContact O-N 3.05Å; K491-G494 PolarHBondContact O-N 3.33Å; G494-W497 PolarHBondContact O-N 2.84Å; G494-A498 CarbonylContact O-C 3.55Å; G494-A498 WeakPolarHBondContact O-CA 3.46Å; G494-A498 PolarHBondContact O-N 2.87Å; G494-I499 CarbonylContact C-O 3.6Å; G494-I499 WeakPolarHBondContact CA-O 3.39Å; G494-I499 PolarHBondContact O-N 3.16Å |
| 495 | I | 91.5 | Very high | 88.7 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 173.4 | -64.4 | 166.7 | 0 | 0 | 0 | 111.2 | K491 V492 C493 W497 A498 N559 Y560 F563 | K491-I495 WeakPolarHBondContact O-CG1 3.35Å; K491-I495 PolarHBondContact O-N 3.04Å; V492-I495 PolarHBondContact O-N 3.23Å; C493-I495 VanDerWaalsContact C-N 3.32Å; C493-I495 PolarHBondContact O-N 3.23Å; I495-W497 VanDerWaalsContact C-N 3.34Å; I495-W497 PolarHBondContact O-N 3.2Å; I495-A498 PolarHBondContact O-N 3.35Å; I495-N559 HydrophobicContact CG2-CB 3.8Å; I495-N559 WeakPolarHBondContact O-CB 3.07Å; I495-N559 PolarHBondContact O-ND2 2.7Å; I495-Y560 HydrophobicContact CB-CD2 4.41Å; I495-Y560 HydrophobicContact CB-CE2 4.12Å; I495-Y560 HydrophobicContact CD1-CD1 4.3Å; I495-Y560 HydrophobicContact CD1-CE1 3.77Å; I495-Y560 HydrophobicContact CD1-CE2 4.12Å; I495-Y560 HydrophobicContact CG2-CD2 3.44Å; I495-Y560 VanDerWaalsContact CG2-CD2 3.44Å; I495-Y560 HydrophobicContact CG2-CE2 3.64Å; I495-Y560 HydrophobicContact CG2-CG 3.91Å; I495-F563 HydrophobicContact CD1-CB 4.47Å; I495-F563 HydrophobicContact CD1-CD1 3.8Å; I495-F563 HydrophobicContact CD1-CD2 4.21Å; I495-F563 HydrophobicContact CD1-CE1 4Å; I495-F563 HydrophobicContact CD1-CE2 4.4Å; I495-F563 HydrophobicContact CD1-CG 3.91Å; I495-F563 HydrophobicContact CD1-CZ 4.3Å; I495-F563 HydrophobicContact CG1-CB 4.45Å; I495-F563 HydrophobicContact CG1-CD2 4.11Å; I495-F563 HydrophobicContact CG1-CE2 4.49Å; I495-F563 HydrophobicContact CG1-CG 4.12Å |
| 496 | L | 93 | Very high | 89.3 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -42 | 175.1 | 174.5 | 59.9 | 0 | 0 | 0 | 113.2 | R478 L479 I481 F482 V492 C493 F556 N559 | R478-L496 HydrophobicContact CB-CD1 4.37Å; R478-L496 HydrophobicContact CB-CD2 4.28Å; R478-L496 HydrophobicContact CB-CG 4.34Å; L479-L496 HydrophobicContact CD2-CD2 4.03Å; I481-L496 HydrophobicContact CD1-CD1 3.64Å; I481-L496 HydrophobicContact CD1-CD2 4.39Å; F482-L496 HydrophobicContact CE2-CD2 3.6Å; F482-L496 HydrophobicContact CZ-CD2 3.9Å; V492-L496 PolarHBondContact O-N 2.9Å; C493-L496 WeakPolarHBondContact O-CB 3.35Å; C493-L496 PolarHBondContact O-N 3.38Å; L496-F556 HydrophobicContact CB-CD2 3.81Å; L496-F556 HydrophobicContact CB-CE2 4.04Å; L496-F556 HydrophobicContact CD1-CB 4.15Å; L496-F556 HydrophobicContact CD1-CD2 3.78Å; L496-F556 HydrophobicContact CD1-CG 4.36Å; L496-F556 HydrophobicContact CG-CD2 4.35Å; L496-N559 PolarHBondContact O-ND2 3.21Å |
| 497 | W | 93.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -88.4 | -12.1 | -176.5 | -58.3 | -36.2 | 0 | 0 | 0 | 114 | Y475 L479 C493 G494 I495 I499 A504 V507 L508 Y511 | Y475-W497 HydrophobicContact CD1-CB 4.07Å; Y475-W497 AromaticContact CD1-CD1 3.85Å; Y475-W497 HydrophobicContact CD1-CD2 4.43Å; Y475-W497 AromaticContact CD1-CG 3.86Å; Y475-W497 HydrophobicContact CD1-CG 3.86Å; Y475-W497 HydrophobicContact CE1-CB 4.32Å; Y475-W497 HydrophobicContact CG-CD2 4.32Å; Y475-W497 HydrophobicContact CG-CG 4.22Å; Y475-W497 PolarHBondContact O-NE1 3.05Å; L479-W497 HydrophobicContact CD2-CZ2 3.88Å; L479-W497 HydrophobicContact CG-CZ2 4.38Å; C493-W497 HydrophobicContact CB-CD2 4.4Å; C493-W497 HydrophobicContact CB-CE3 3.95Å; C493-W497 HydrophobicContact CB-CH2 3.86Å; C493-W497 HydrophobicContact CB-CZ2 4.3Å; C493-W497 HydrophobicContact CB-CZ3 3.66Å; C493-W497 WeakPolarHBondContact O-CB 3.29Å; C493-W497 PolarHBondContact O-N 3.29Å; G494-W497 PolarHBondContact O-N 2.84Å; I495-W497 VanDerWaalsContact C-N 3.34Å; I495-W497 PolarHBondContact O-N 3.2Å; W497-I499 HydrophobicContact CB-CB 4.18Å; W497-I499 HydrophobicContact CB-CD1 3.72Å; W497-I499 HydrophobicContact CB-CG1 3.99Å; W497-A504 HydrophobicContact CE3-CB 4.12Å; W497-A504 HydrophobicContact CZ3-CB 4.11Å; W497-V507 HydrophobicContact CH2-CB 4.14Å; W497-V507 HydrophobicContact CH2-CG1 3.6Å; W497-V507 HydrophobicContact CZ2-CG1 4.27Å; W497-V507 HydrophobicContact CZ3-CB 3.81Å; W497-V507 HydrophobicContact CZ3-CG1 3.75Å; W497-L508 HydrophobicContact CH2-CD2 3.95Å; W497-L508 HydrophobicContact CH2-CG 4Å; W497-L508 HydrophobicContact CZ3-CG 4.24Å; W497-Y511 AromaticContact CH2-CE2 3.86Å; W497-Y511 HydrophobicContact CH2-CE2 3.86Å; W497-Y511 AromaticContact CZ2-CE2 3.89Å; W497-Y511 HydrophobicContact CZ2-CE2 3.89Å |
| 498 | A | 91.3 | Very high | 89.9 | Confident | 75 Ų | 75 | 35.7 Ų | 35.7 | 62% | 0.62 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 51.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G494 I495 | G494-A498 CarbonylContact O-C 3.55Å; G494-A498 WeakPolarHBondContact O-CA 3.46Å; G494-A498 PolarHBondContact O-N 2.87Å; I495-A498 PolarHBondContact O-N 3.35Å |
| 499 | I | 92.5 | Very high | 89.8 | Confident | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | trans | -136.8 | 144.2 | -168 | -73.4 | -179.2 | 0 | 0 | 0 | 109.8 | Y475 G494 W497 K503 | Y475-I499 HydrophobicContact CD1-CD1 4.36Å; Y475-I499 HydrophobicContact CE1-CD1 3.59Å; Y475-I499 HydrophobicContact CE2-CD1 3.96Å; Y475-I499 WeakPolarHBondContact OH-CD1 3.4Å; G494-I499 CarbonylContact C-O 3.6Å; G494-I499 WeakPolarHBondContact CA-O 3.39Å; G494-I499 PolarHBondContact O-N 3.16Å; W497-I499 HydrophobicContact CB-CB 4.18Å; W497-I499 HydrophobicContact CB-CD1 3.72Å; W497-I499 HydrophobicContact CB-CG1 3.99Å; I499-K503 HydrophobicContact CD1-CD 4.44Å; I499-K503 HydrophobicContact CG2-CB 3.55Å; I499-K503 HydrophobicContact CG2-CD 3.89Å; I499-K503 HydrophobicContact CG2-CG 3.65Å | ||
| 500 | P | 90.9 | Very high | 89.8 | Confident | 86 Ų | 86 | 39.6 Ų | 39.6 | 56% | 0.558 | 22% | 0.219 | S | C | * | . | trans | -59 | 148.6 | 174.9 | 24.2 | -35.3 | 0 | 0 | 0 | 112.6 | D502 K503 A504 | P500-D502 PolarHBondContact O-N 3.48Å; P500-D502 VanDerWaalsContact O-N 3.16Å; P500-K503 HydrophobicContact CG-CB 4.3Å; P500-K503 PolarHBondContact O-N 2.75Å; P500-K503 VanDerWaalsContact O-N 3.08Å; P500-A504 PolarHBondContact O-N 3.47Å | ||
| 501 | E | 87.4 | Confident | 89.9 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.8 | -38.1 | -173.3 | -167.7 | 159.7 | -167.8 | 0 | 0 | 112.6 | P490 K491 A504 E505 | P490-E501 HydrophobicContact CB-CG 3.89Å; K491-E501 VanDerWaalsContact CB-OE1 3.29Å; K491-E501 WeakPolarHBondContact CB-OE1 3.39Å; K491-E501 WeakPolarHBondContact CE-OE2 3.23Å; K491-E501 PolarHBondContact N-OE1 2.73Å; K491-E501 IonicContact NZ-OE1 3.56Å; K491-E501 PolarHBondContact NZ-OE1 3.08Å; K491-E501 IonicContact NZ-OE2 3.9Å; K491-E501 PolarHBondContact NZ-OE2 2.72Å; E501-A504 CarbonylContact O-C 3.59Å; E501-A504 WeakPolarHBondContact O-CB 3.1Å; E501-A504 PolarHBondContact O-N 3.11Å; E501-A504 VanDerWaalsContact O-N 3.16Å; E501-E505 PolarHBondContact O-N 3.49Å |
| 502 | D | 87.3 | Confident | 89.9 | Confident | 124 Ų | 124 | 38.6 Ų | 38.6 | 66% | 0.663 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -60.5 | -48.9 | 176.9 | -35.9 | -48.9 | 0 | 0 | 0 | 112.6 | P500 A504 E505 M506 | P500-D502 PolarHBondContact O-N 3.48Å; P500-D502 VanDerWaalsContact O-N 3.16Å; D502-A504 VanDerWaalsContact C-N 3.28Å; D502-A504 PolarHBondContact O-N 2.69Å; D502-E505 PolarHBondContact O-N 3.02Å; D502-M506 WeakPolarHBondContact O-CG 3.34Å; D502-M506 PolarHBondContact O-N 3.17Å |
| 503 | K | 89.6 | Confident | 89.7 | Confident | 78 Ų | 78 | 40 Ų | 40 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69 | -29.5 | 176.9 | 178.2 | 177 | 178.1 | -175.5 | 0 | 110.5 | E471 I499 P500 M506 V507 | E471-K503 IonicContact OE2-NZ 3.72Å; I499-K503 HydrophobicContact CD1-CD 4.44Å; I499-K503 HydrophobicContact CG2-CB 3.55Å; I499-K503 HydrophobicContact CG2-CD 3.89Å; I499-K503 HydrophobicContact CG2-CG 3.65Å; P500-K503 HydrophobicContact CG-CB 4.3Å; P500-K503 PolarHBondContact O-N 2.75Å; P500-K503 VanDerWaalsContact O-N 3.08Å; K503-M506 PolarHBondContact O-N 2.94Å; K503-V507 WeakPolarHBondContact O-CG2 3.46Å; K503-V507 PolarHBondContact O-N 3.24Å |
| 504 | A | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.8 | -42 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | P490 W497 P500 E501 D502 V507 L508 | P490-A504 WeakPolarHBondContact O-CB 3.33Å; W497-A504 HydrophobicContact CE3-CB 4.12Å; W497-A504 HydrophobicContact CZ3-CB 4.11Å; P500-A504 PolarHBondContact O-N 3.47Å; E501-A504 CarbonylContact O-C 3.59Å; E501-A504 WeakPolarHBondContact O-CB 3.1Å; E501-A504 PolarHBondContact O-N 3.11Å; E501-A504 VanDerWaalsContact O-N 3.16Å; D502-A504 VanDerWaalsContact C-N 3.28Å; D502-A504 PolarHBondContact O-N 2.69Å; A504-V507 PolarHBondContact O-N 3.38Å; A504-L508 WeakPolarHBondContact O-CB 3.23Å; A504-L508 VanDerWaalsContact O-CG 3.3Å; A504-L508 WeakPolarHBondContact O-CG 3.35Å; A504-L508 PolarHBondContact O-N 3.38Å |
| 505 | E | 88 | Confident | 89.1 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 33% | 0.327 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 172.4 | -172.1 | 168.7 | -167.7 | 0 | 0 | 111.6 | P490 E501 D502 V507 L508 S509 R519 | P490-E505 HydrophobicContact CB-CB 4.16Å; P490-E505 HydrophobicContact CG-CB 4.23Å; P490-E505 HydrophobicContact CG-CG 4.4Å; E501-E505 PolarHBondContact O-N 3.49Å; D502-E505 PolarHBondContact O-N 3.02Å; E505-V507 PolarHBondContact O-N 3.06Å; E505-L508 PolarHBondContact O-N 2.98Å; E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 2.87Å; E505-S509 PolarHBondContact O-OG 2.83Å; E505-R519 IonicContact OE1-CZ 2.72Å; E505-R519 IonicContact OE1-NH2 3.72Å; E505-R519 PolarHBondContact OE1-NH2 3.02Å |
| 506 | M | 89.2 | Confident | 88.9 | Confident | 134 Ų | 134 | 41.4 Ų | 41.4 | 66% | 0.66 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61 | -39.3 | 172.8 | -70.2 | 177.3 | 72.5 | 0 | 0 | 113.3 | D502 K503 S509 L510 | D502-M506 WeakPolarHBondContact O-CG 3.34Å; D502-M506 PolarHBondContact O-N 3.17Å; K503-M506 PolarHBondContact O-N 2.94Å; M506-S509 PolarHBondContact O-OG 2.89Å; M506-L510 WeakPolarHBondContact O-CB 3.38Å; M506-L510 PolarHBondContact O-N 2.94Å; M506-L510 VanDerWaalsContact O-N 3.08Å |
| 507 | V | 90.6 | Very high | 88.5 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.6 | -39.7 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | Y475 W497 K503 A504 E505 L510 Y511 | Y475-V507 HydrophobicContact CD2-CG1 4.35Å; Y475-V507 HydrophobicContact CD2-CG2 4.26Å; W497-V507 HydrophobicContact CH2-CB 4.14Å; W497-V507 HydrophobicContact CH2-CG1 3.6Å; W497-V507 HydrophobicContact CZ2-CG1 4.27Å; W497-V507 HydrophobicContact CZ3-CB 3.81Å; W497-V507 HydrophobicContact CZ3-CG1 3.75Å; K503-V507 WeakPolarHBondContact O-CG2 3.46Å; K503-V507 PolarHBondContact O-N 3.24Å; A504-V507 PolarHBondContact O-N 3.38Å; E505-V507 PolarHBondContact O-N 3.06Å; V507-L510 WeakPolarHBondContact O-CB 3.37Å; V507-L510 PolarHBondContact O-N 2.8Å; V507-Y511 HydrophobicContact CG1-CD2 4.31Å; V507-Y511 HydrophobicContact CG1-CE1 4.01Å; V507-Y511 HydrophobicContact CG1-CE2 3.59Å; V507-Y511 VanDerWaalsContact CG1-CZ 3.41Å; V507-Y511 WeakPolarHBondContact CG1-OH 3.15Å; V507-Y511 PolarHBondContact O-N 2.89Å |
| 508 | L | 89.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -34.2 | 176.7 | -71 | 167.7 | 0 | 0 | 0 | 113 | P490 C493 W497 A504 E505 Y511 T512 T517 Y530 | P490-L508 HydrophobicContact CB-CD1 4.37Å; P490-L508 HydrophobicContact CG-CD1 4.29Å; C493-L508 HydrophobicContact CB-CD1 3.96Å; C493-L508 HydrophobicContact CB-CG 4.48Å; W497-L508 HydrophobicContact CH2-CD2 3.95Å; W497-L508 HydrophobicContact CH2-CG 4Å; W497-L508 HydrophobicContact CZ3-CG 4.24Å; A504-L508 WeakPolarHBondContact O-CB 3.23Å; A504-L508 VanDerWaalsContact O-CG 3.3Å; A504-L508 WeakPolarHBondContact O-CG 3.35Å; A504-L508 PolarHBondContact O-N 3.38Å; E505-L508 PolarHBondContact O-N 2.98Å; L508-Y511 HydrophobicContact CD2-CD2 4.32Å; L508-Y511 PolarHBondContact O-N 2.86Å; L508-T512 PolarHBondContact O-N 3.28Å; L508-T512 PolarHBondContact O-OG1 3.07Å; L508-T517 PolarHBondContact O-OG1 3.01Å; L508-Y530 HydrophobicContact CB-CD1 3.87Å; L508-Y530 HydrophobicContact CB-CD2 4.2Å; L508-Y530 HydrophobicContact CB-CE1 3.68Å; L508-Y530 HydrophobicContact CB-CE2 4.07Å; L508-Y530 HydrophobicContact CB-CG 4.12Å; L508-Y530 HydrophobicContact CD1-CD2 3.78Å; L508-Y530 HydrophobicContact CD1-CE2 3.96Å; L508-Y530 HydrophobicContact CD1-CG 4.25Å; L508-Y530 HydrophobicContact CD2-CG 4.2Å; L508-Y530 HydrophobicContact CG-CD2 4.41Å; L508-Y530 HydrophobicContact CG-CG 4.43Å |
| 509 | S | 86.5 | Confident | 87.8 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70 | -36.1 | 172.5 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | E505 M506 T512 R513 | E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 2.87Å; E505-S509 PolarHBondContact O-OG 2.83Å; M506-S509 PolarHBondContact O-OG 2.89Å; S509-T512 WeakPolarHBondContact O-CB 3.47Å; S509-T512 PolarHBondContact O-N 2.84Å; S509-R513 WeakPolarHBondContact O-CB 3.37Å; S509-R513 PolarHBondContact O-N 2.58Å |
| 510 | L | 88.4 | Confident | 87.2 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 170.9 | -167.5 | 76.6 | 0 | 0 | 0 | 112.3 | L468 N472 M506 V507 R513 Y514 | L468-L510 HydrophobicContact CD2-CD2 3.87Å; L468-L510 HydrophobicContact CD2-CG 4.26Å; N472-L510 WeakPolarHBondContact ND2-CD2 3.29Å; M506-L510 WeakPolarHBondContact O-CB 3.38Å; M506-L510 PolarHBondContact O-N 2.94Å; M506-L510 VanDerWaalsContact O-N 3.08Å; V507-L510 WeakPolarHBondContact O-CB 3.37Å; V507-L510 PolarHBondContact O-N 2.8Å; L510-R513 WeakPolarHBondContact O-CB 3.5Å; L510-R513 PolarHBondContact O-N 2.95Å; L510-Y514 HydrophobicContact CD1-CD2 4.41Å; L510-Y514 HydrophobicContact CD1-CE2 3.77Å; L510-Y514 HydrophobicContact CD2-CE2 4.45Å; L510-Y514 HydrophobicContact CG-CD2 4.11Å; L510-Y514 HydrophobicContact CG-CE2 3.85Å; L510-Y514 VanDerWaalsContact O-CD2 3.23Å; L510-Y514 WeakPolarHBondContact O-CD2 3.32Å; L510-Y514 PolarHBondContact O-N 2.91Å; L510-Y514 VanDerWaalsContact O-N 3.17Å |
| 511 | Y | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68 | -36 | 171.9 | -61.1 | -23.8 | 0 | 0 | 0 | 112.3 | L468 N472 Y475 Y476 L479 W497 V507 L508 Y514 S515 L516 T517 | L468-Y511 HydrophobicContact CD1-CD1 4.1Å; L468-Y511 HydrophobicContact CD1-CE1 3.73Å; L468-Y511 HydrophobicContact CD2-CD1 3.99Å; L468-Y511 HydrophobicContact CD2-CE1 4.01Å; N472-Y511 HydrophobicContact CB-CE1 4.47Å; N472-Y511 PolarHBondContact O-OH 2.85Å; Y475-Y511 VanDerWaalsContact CB-OH 3.31Å; Y475-Y511 WeakPolarHBondContact CB-OH 3.19Å; Y476-Y511 WeakPolarHBondContact CA-OH 3.44Å; Y476-Y511 HydrophobicContact CD2-CD1 4.44Å; Y476-Y511 HydrophobicContact CD2-CD2 4.47Å; Y476-Y511 HydrophobicContact CD2-CE1 4.22Å; Y476-Y511 HydrophobicContact CD2-CE2 4.25Å; Y476-Y511 PolarHBondContact N-OH 3.26Å; L479-Y511 HydrophobicContact CD1-CD2 4.39Å; L479-Y511 HydrophobicContact CD1-CE2 3.99Å; W497-Y511 AromaticContact CH2-CE2 3.86Å; W497-Y511 HydrophobicContact CH2-CE2 3.86Å; W497-Y511 AromaticContact CZ2-CE2 3.89Å; W497-Y511 HydrophobicContact CZ2-CE2 3.89Å; V507-Y511 HydrophobicContact CG1-CD2 4.31Å; V507-Y511 HydrophobicContact CG1-CE1 4.01Å; V507-Y511 HydrophobicContact CG1-CE2 3.59Å; V507-Y511 VanDerWaalsContact CG1-CZ 3.41Å; V507-Y511 WeakPolarHBondContact CG1-OH 3.15Å; V507-Y511 PolarHBondContact O-N 2.89Å; L508-Y511 HydrophobicContact CD2-CD2 4.32Å; L508-Y511 PolarHBondContact O-N 2.86Å; Y511-Y514 PolarHBondContact O-N 2.82Å; Y511-S515 PolarHBondContact O-N 2.82Å; Y511-L516 HydrophobicContact CD1-CD1 4.48Å; Y511-L516 WeakPolarHBondContact O-CA 3.27Å; Y511-L516 WeakPolarHBondContact O-CB 3.36Å; Y511-L516 PolarHBondContact O-N 3.39Å; Y511-T517 WeakPolarHBondContact CB-OG1 3.4Å; Y511-T517 HydrophobicContact CD2-CG2 4.29Å; Y511-T517 PolarHBondContact O-N 3.08Å |
| 512 | T | 86.6 | Confident | 86 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 13% | 0.129 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 175.1 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | L508 S509 Y514 S515 T517 R519 Y530 | L508-T512 PolarHBondContact O-N 3.28Å; L508-T512 PolarHBondContact O-OG1 3.07Å; S509-T512 WeakPolarHBondContact O-CB 3.47Å; S509-T512 PolarHBondContact O-N 2.84Å; T512-Y514 PolarHBondContact O-N 3.1Å; T512-S515 PolarHBondContact O-N 3.44Å; T512-S515 VanDerWaalsContact O-N 3.11Å; T512-T517 WeakPolarHBondContact CA-O 3.42Å; T512-T517 PolarHBondContact N-OG1 2.87Å; T512-T517 VanDerWaalsContact N-OG1 3.14Å; T512-T517 PolarHBondContact OG1-OG1 3.28Å; T512-R519 HydrophobicContact CG2-CB 3.92Å; T512-Y530 WeakPolarHBondContact OG1-CD1 3.24Å; T512-Y530 VanDerWaalsContact OG1-CE1 3.32Å; T512-Y530 WeakPolarHBondContact OG1-CE1 3.44Å |
| 513 | R | 86 | Confident | 85 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.4 | -53 | 174.7 | 172.8 | -167.6 | 175.7 | 115.1 | 5.8 | 111 | I322 D341 L342 D343 S509 L510 S515 | I322-R513 VanDerWaalsContact CD1-NH2 3.32Å; D341-R513 CarbonylContact C-O 3.54Å; D341-R513 VanDerWaalsContact CA-O 3.26Å; D341-R513 WeakPolarHBondContact CA-O 3.44Å; D341-R513 VanDerWaalsContact CG-NE 3.31Å; D341-R513 WeakPolarHBondContact OD1-CG 3.3Å; D341-R513 IonicContact OD1-CZ 2.67Å; D341-R513 IonicContact OD1-NE 2.69Å; D341-R513 PolarHBondContact OD1-NE 3.37Å; D341-R513 IonicContact OD1-NH2 3.8Å; D341-R513 PolarHBondContact OD1-NH2 2.88Å; D341-R513 IonicContact OD2-CZ 3.17Å; D341-R513 VanDerWaalsContact OD2-CZ 3.29Å; D341-R513 IonicContact OD2-NE 3.25Å; D341-R513 PolarHBondContact OD2-NE 2.72Å; D341-R513 IonicContact OD2-NH2 3.57Å; D341-R513 PolarHBondContact OD2-NH2 2.83Å; L342-R513 PolarHBondContact N-O 3.14Å; D343-R513 HydrophobicContact CB-CG 4.36Å; D343-R513 VanDerWaalsContact CB-CZ 3.46Å; D343-R513 WeakPolarHBondContact OD2-CD 3.25Å; D343-R513 WeakPolarHBondContact OD2-CG 3.42Å; D343-R513 IonicContact OD2-CZ 3.22Å; D343-R513 IonicContact OD2-NE 2.61Å; D343-R513 IonicContact OD2-NH1 3.89Å; D343-R513 PolarHBondContact OD2-NH1 3.34Å; S509-R513 WeakPolarHBondContact O-CB 3.37Å; S509-R513 PolarHBondContact O-N 2.58Å; L510-R513 WeakPolarHBondContact O-CB 3.5Å; L510-R513 PolarHBondContact O-N 2.95Å; R513-S515 PolarHBondContact O-N 3.1Å |
| 514 | Y | 85.2 | Confident | 83.3 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 15.2 | 179.7 | -65.5 | -59.4 | 0 | 0 | 0 | 114.8 | R340 D341 L467 L468 L510 Y511 T512 L516 | R340-Y514 CarbonylContact O-C 3.48Å; R340-Y514 WeakPolarHBondContact O-CA 3.32Å; D341-Y514 HydrophobicContact CB-CD1 4.23Å; D341-Y514 HydrophobicContact CB-CE1 4.32Å; D341-Y514 WeakPolarHBondContact OD2-CE1 3.49Å; L467-Y514 HydrophobicContact CB-CE1 4.28Å; L467-Y514 HydrophobicContact CD1-CD1 4.04Å; L467-Y514 HydrophobicContact CD1-CE1 3.99Å; L468-Y514 HydrophobicContact CD2-CD2 3.73Å; L468-Y514 HydrophobicContact CD2-CE2 4.02Å; L510-Y514 HydrophobicContact CD1-CD2 4.41Å; L510-Y514 HydrophobicContact CD1-CE2 3.77Å; L510-Y514 HydrophobicContact CD2-CE2 4.45Å; L510-Y514 HydrophobicContact CG-CD2 4.11Å; L510-Y514 HydrophobicContact CG-CE2 3.85Å; L510-Y514 VanDerWaalsContact O-CD2 3.23Å; L510-Y514 WeakPolarHBondContact O-CD2 3.32Å; L510-Y514 PolarHBondContact O-N 2.91Å; L510-Y514 VanDerWaalsContact O-N 3.17Å; Y511-Y514 PolarHBondContact O-N 2.82Å; T512-Y514 PolarHBondContact O-N 3.1Å; Y514-L516 PolarHBondContact O-N 3.32Å; Y514-L516 VanDerWaalsContact O-N 3.16Å |
| 515 | S | 83.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 30.2 | -177.6 | -53.9 | 0 | 0 | 0 | 0 | 114.2 | G184 R340 Y511 T512 R513 | G184-S515 VanDerWaalsContact C-CB 3.45Å; G184-S515 WeakPolarHBondContact O-CB 3.28Å; G184-S515 PolarHBondContact O-OG 2.88Å; R340-S515 WeakPolarHBondContact O-CB 3.46Å; R340-S515 PolarHBondContact O-N 2.71Å; R340-S515 PolarHBondContact O-OG 2.94Å; Y511-S515 PolarHBondContact O-N 2.82Å; T512-S515 PolarHBondContact O-N 3.44Å; T512-S515 VanDerWaalsContact O-N 3.11Å; R513-S515 PolarHBondContact O-N 3.1Å |
| 516 | L | 85.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -92.3 | -18.7 | 175.4 | -66.5 | 176.8 | 0 | 0 | 0 | 112.9 | I465 L468 Y476 Y511 Y514 Q536 | I465-L516 HydrophobicContact CG1-CD1 4.39Å; I465-L516 HydrophobicContact CG1-CD2 4.26Å; L468-L516 HydrophobicContact CD1-CD1 3.77Å; L468-L516 HydrophobicContact CG-CD1 4.34Å; Y476-L516 HydrophobicContact CE2-CB 4.1Å; Y476-L516 HydrophobicContact CE2-CD1 4.27Å; Y511-L516 HydrophobicContact CD1-CD1 4.48Å; Y511-L516 WeakPolarHBondContact O-CA 3.27Å; Y511-L516 WeakPolarHBondContact O-CB 3.36Å; Y511-L516 PolarHBondContact O-N 3.39Å; Y514-L516 PolarHBondContact O-N 3.32Å; Y514-L516 VanDerWaalsContact O-N 3.16Å; L516-Q536 PolarHBondContact O-NE2 3.2Å; L516-Q536 PolarHBondContact O-OE1 2.8Å |
| 517 | T | 85.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -138 | 157.5 | 170.1 | 53.6 | 0 | 0 | 0 | 0 | 111 | L508 Y511 T512 T531 I532 | L508-T517 PolarHBondContact O-OG1 3.01Å; Y511-T517 WeakPolarHBondContact CB-OG1 3.4Å; Y511-T517 HydrophobicContact CD2-CG2 4.29Å; Y511-T517 PolarHBondContact O-N 3.08Å; T512-T517 WeakPolarHBondContact CA-O 3.42Å; T512-T517 PolarHBondContact N-OG1 2.87Å; T512-T517 VanDerWaalsContact N-OG1 3.14Å; T512-T517 PolarHBondContact OG1-OG1 3.28Å; T517-T531 CarbonylContact C-O 3.53Å; T517-T531 VanDerWaalsContact CA-O 3.25Å; T517-T531 WeakPolarHBondContact CA-O 3.17Å; T517-T531 WeakPolarHBondContact CB-O 3.36Å; T517-I532 HydrophobicContact CG2-CG1 4.02Å |
| 518 | V | 83.9 | Confident | 79.1 | Confident | 39 Ų | 39 | 55.9 Ų | 55.9 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.2 | 175.2 | -173 | 0 | 0 | 0 | 0 | 110.2 | H358 H520 Y530 T531 | H358-V518 HydrophobicContact CB-CG1 4.41Å; H358-V518 HydrophobicContact CB-CG2 4.3Å; V518-H520 VanDerWaalsContact CG1-CE1 3.46Å; V518-H520 WeakPolarHBondContact CG1-CE1 3.49Å; V518-H520 PolarHBondContact O-ND1 3.04Å; V518-Y530 WeakPolarHBondContact O-CA 3.48Å; V518-T531 PolarHBondContact N-O 3.05Å; V518-T531 PolarHBondContact O-N 3.26Å |
| 519 | R | 84.6 | Confident | 78.8 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 45% | 0.445 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.6 | -179.9 | -169.4 | -178.4 | -165.5 | -175.8 | 6.3 | 111 | E505 T512 C528 G529 Y530 | E505-R519 IonicContact OE1-CZ 2.72Å; E505-R519 IonicContact OE1-NH2 3.72Å; E505-R519 PolarHBondContact OE1-NH2 3.02Å; T512-R519 HydrophobicContact CG2-CB 3.92Å; R519-C528 HydrophobicContact CG-CB 4.36Å; R519-C528 VanDerWaalsContact CZ-SG 3.59Å; R519-C528 PolarHBondContact NE-SG 3.08Å; R519-C528 PolarHBondContact NH2-SG 3.01Å; R519-G529 CarbonylContact C-O 3.44Å; R519-G529 WeakPolarHBondContact CA-O 3.38Å; R519-Y530 HydrophobicContact CB-CD1 4.12Å; R519-Y530 HydrophobicContact CB-CE1 3.92Å; R519-Y530 HydrophobicContact CG-CD1 4.25Å; R519-Y530 HydrophobicContact CG-CE1 3.72Å; R519-Y530 PolarHBondContact NE-OH 2.85Å |
| 520 | H | 80.5 | Confident | 78.9 | Confident | 88 Ų | 88 | 53.4 Ų | 53.4 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.1 | -178.8 | -68.3 | 82.4 | 0 | 0 | 0 | 110.4 | V518 G529 T531 | V518-H520 VanDerWaalsContact CG1-CE1 3.46Å; V518-H520 WeakPolarHBondContact CG1-CE1 3.49Å; V518-H520 PolarHBondContact O-ND1 3.04Å; H520-G529 PolarHBondContact N-O 3.04Å; H520-G529 PolarHBondContact O-N 3.26Å; H520-T531 PolarHBondContact CE1-OG1 3.5Å; H520-T531 VanDerWaalsContact CE1-OG1 3.26Å |
| 521 | W | 78.2 | Confident | 78.8 | Confident | 150 Ų | 150 | 52.5 Ų | 52.5 | 57% | 0.568 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117 | 178.5 | -163.6 | -94.5 | 0 | 0 | 0 | 111.8 | Y523 G526 C528 | W521-Y523 AromaticContact CD1-CD1 3.81Å; W521-Y523 AromaticContact CD1-CE1 3.86Å; W521-Y523 PolarHBondContact O-N 2.94Å; W521-G526 WeakPolarHBondContact CZ2-O 3.23Å; W521-C528 WeakPolarHBondContact CZ3-SG 3.11Å |
| 522 | I | 74.3 | Confident | 78.7 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | trans | -91.5 | 86 | -176.7 | -48.8 | 177.8 | 0 | 0 | 0 | 109.8 | V487 T489 K524 V525 G526 N527 | V487-I522 HydrophobicContact CG1-CD1 3.84Å; V487-I522 HydrophobicContact CG1-CG1 4.37Å; T489-I522 HydrophobicContact CG2-CD1 4.2Å; I522-K524 PolarHBondContact O-N 3.1Å; I522-V525 HydrophobicContact CB-CB 4.36Å; I522-V525 HydrophobicContact CG2-CB 4.04Å; I522-V525 HydrophobicContact CG2-CG2 3.74Å; I522-V525 PolarHBondContact O-N 3.4Å; I522-G526 PolarHBondContact O-N 3.37Å; I522-N527 WeakPolarHBondContact CB-O 3.4Å; I522-N527 PolarHBondContact N-O 2.9Å; I522-N527 VanDerWaalsContact N-O 3.08Å | ||
| 523 | Y | 66.2 | Low | 78.6 | Confident | 200 Ų | 200 | 53.6 Ų | 53.6 | 78% | 0.784 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -27.2 | -179 | -63.3 | -79.3 | 0 | 0 | 0 | 115.3 | W521 | W521-Y523 AromaticContact CD1-CD1 3.81Å; W521-Y523 AromaticContact CD1-CE1 3.86Å; W521-Y523 PolarHBondContact O-N 2.94Å |
| 524 | K | 55 | Low | 78.4 | Confident | 200 Ų | 200 | 52.3 Ų | 52.3 | 87% | 0.87 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -20.4 | 177.8 | -67.8 | -176 | 179.4 | 178.1 | 0 | 114.5 | I522 | I522-K524 PolarHBondContact O-N 3.1Š|
| 525 | V | 60 | Low | 78.3 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -26.8 | -175.3 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | I522 N527 W575 E576 | I522-V525 HydrophobicContact CB-CB 4.36Å; I522-V525 HydrophobicContact CG2-CB 4.04Å; I522-V525 HydrophobicContact CG2-CG2 3.74Å; I522-V525 PolarHBondContact O-N 3.4Å; V525-N527 VanDerWaalsContact C-N 3.25Å; V525-N527 HydrophobicContact CG1-CB 4.05Å; V525-W575 HydrophobicContact CG2-CB 4.14Å; V525-E576 HydrophobicContact CG1-CG 3.95Å |
| 526 | G | 63.3 | Low | 78.5 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 84.9 | -5.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | W521 I522 | W521-G526 WeakPolarHBondContact CZ2-O 3.23Å; I522-G526 PolarHBondContact O-N 3.37Å |
| 527 | N | 69 | Low | 78.5 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -103.3 | 164.1 | -176.1 | -63 | 3.6 | 0 | 0 | 0 | 112 | I522 V525 E576 | I522-N527 WeakPolarHBondContact CB-O 3.4Å; I522-N527 PolarHBondContact N-O 2.9Å; I522-N527 VanDerWaalsContact N-O 3.08Å; V525-N527 VanDerWaalsContact C-N 3.25Å; V525-N527 HydrophobicContact CG1-CB 4.05Å; N527-E576 PolarHBondContact ND2-OE1 3.29Å |
| 528 | C | 78.3 | Confident | 78.2 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 141.1 | 169.2 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | P490 R519 W521 Y530 | P490-C528 VanDerWaalsContact CD-O 3.29Å; P490-C528 WeakPolarHBondContact CD-O 3.35Å; R519-C528 HydrophobicContact CG-CB 4.36Å; R519-C528 VanDerWaalsContact CZ-SG 3.59Å; R519-C528 PolarHBondContact NE-SG 3.08Å; R519-C528 PolarHBondContact NH2-SG 3.01Å; W521-C528 WeakPolarHBondContact CZ3-SG 3.11Å; C528-Y530 HydrophobicContact CB-CE2 3.73Å |
| 529 | G | 82.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 156.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L488 R519 H520 | L488-G529 CarbonylContact O-C 3.51Å; L488-G529 VanDerWaalsContact O-CA 3.31Å; L488-G529 WeakPolarHBondContact O-CA 3.29Å; R519-G529 CarbonylContact C-O 3.44Å; R519-G529 WeakPolarHBondContact CA-O 3.38Å; H520-G529 PolarHBondContact N-O 3.04Å; H520-G529 PolarHBondContact O-N 3.26Å |
| 530 | Y | 88.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.1 | 178.8 | -62.8 | -99.2 | 0 | 0 | 0 | 109.1 | L488 P490 L508 T512 V518 R519 C528 | L488-Y530 PolarHBondContact N-O 3.49Å; L488-Y530 PolarHBondContact O-N 3.11Å; P490-Y530 HydrophobicContact CG-CE2 3.9Å; L508-Y530 HydrophobicContact CB-CD1 3.87Å; L508-Y530 HydrophobicContact CB-CD2 4.2Å; L508-Y530 HydrophobicContact CB-CE1 3.68Å; L508-Y530 HydrophobicContact CB-CE2 4.07Å; L508-Y530 HydrophobicContact CB-CG 4.12Å; L508-Y530 HydrophobicContact CD1-CD2 3.78Å; L508-Y530 HydrophobicContact CD1-CE2 3.96Å; L508-Y530 HydrophobicContact CD1-CG 4.25Å; L508-Y530 HydrophobicContact CD2-CG 4.2Å; L508-Y530 HydrophobicContact CG-CD2 4.41Å; L508-Y530 HydrophobicContact CG-CG 4.43Å; T512-Y530 WeakPolarHBondContact OG1-CD1 3.24Å; T512-Y530 VanDerWaalsContact OG1-CE1 3.32Å; T512-Y530 WeakPolarHBondContact OG1-CE1 3.44Å; V518-Y530 WeakPolarHBondContact O-CA 3.48Å; R519-Y530 HydrophobicContact CB-CD1 4.12Å; R519-Y530 HydrophobicContact CB-CE1 3.92Å; R519-Y530 HydrophobicContact CG-CD1 4.25Å; R519-Y530 HydrophobicContact CG-CE1 3.72Å; R519-Y530 PolarHBondContact NE-OH 2.85Å; C528-Y530 HydrophobicContact CB-CE2 3.73Å |
| 531 | T | 87.4 | Confident | 78.2 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 15% | 0.153 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 156.3 | 172.7 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | V487 T517 V518 H520 | V487-T531 HydrophobicContact CB-CG2 4.47Å; V487-T531 HydrophobicContact CG2-CG2 3.88Å; T517-T531 CarbonylContact C-O 3.53Å; T517-T531 VanDerWaalsContact CA-O 3.25Å; T517-T531 WeakPolarHBondContact CA-O 3.17Å; T517-T531 WeakPolarHBondContact CB-O 3.36Å; V518-T531 PolarHBondContact N-O 3.05Å; V518-T531 PolarHBondContact O-N 3.26Å; H520-T531 PolarHBondContact CE1-OG1 3.5Å; H520-T531 VanDerWaalsContact CE1-OG1 3.26Å |
| 532 | I | 87.8 | Confident | 78.1 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | trans | -116 | 139.8 | 175.3 | -55.1 | 160.7 | 0 | 0 | 0 | 106.7 | L479 L488 T517 Q536 L537 | L479-I532 HydrophobicContact CB-CD1 3.83Å; L479-I532 HydrophobicContact CD1-CD1 3.88Å; L479-I532 HydrophobicContact CD2-CD1 4.38Å; L479-I532 HydrophobicContact CG-CD1 4.25Å; L488-I532 HydrophobicContact CD1-CD1 3.87Å; T517-I532 HydrophobicContact CG2-CG1 4.02Å; I532-Q536 HydrophobicContact CG2-CB 3.92Å; I532-L537 HydrophobicContact CB-CD1 4.4Å; I532-L537 HydrophobicContact CB-CD2 4.41Å; I532-L537 HydrophobicContact CB-CG 4.27Å; I532-L537 HydrophobicContact CD1-CD2 3.99Å; I532-L537 HydrophobicContact CG2-CD1 4.49Å; I532-L537 HydrophobicContact CG2-CD2 4.04Å; I532-L537 HydrophobicContact CG2-CG 3.85Å | ||
| 533 | H | 84.2 | Confident | 78.3 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | trans | -72.5 | 140.8 | 180 | -178.6 | -74.9 | 0 | 0 | 0 | 110.5 | D360 I535 Q536 L537 | D360-H533 IonicContact OD1-CD2 2.81Å; D360-H533 IonicContact OD1-NE2 3.94Å; D360-H533 IonicContact OD2-CD2 3.71Å; D360-H533 IonicContact OD2-NE2 3.09Å; H533-I535 PolarHBondContact ND1-N 3.13Å; H533-I535 PolarHBondContact O-N 2.84Å; H533-Q536 HydrophobicContact CB-CG 4.18Å; H533-Q536 VanDerWaalsContact CB-OE1 3.28Å; H533-Q536 VanDerWaalsContact O-CB 3.3Å; H533-Q536 WeakPolarHBondContact O-CB 3.45Å; H533-Q536 PolarHBondContact O-N 3.3Å; H533-L537 PolarHBondContact O-N 3.01Å | ||
| 534 | G | 82.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.1 | -51.9 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q536 L537 D538 | G534-Q536 PolarHBondContact O-N 3.42Å; G534-L537 WeakPolarHBondContact O-CB 3.21Å; G534-L537 PolarHBondContact O-N 2.85Å; G534-D538 PolarHBondContact O-N 3.23Å |
| 535 | I | 83.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -49.4 | -37.5 | 173.9 | -63.4 | -176.6 | 0 | 0 | 0 | 112.8 | T405 Y406 L408 A411 V457 F461 H533 L537 D538 L539 | T405-I535 WeakPolarHBondContact O-CD1 3.47Å; Y406-I535 HydrophobicContact CD2-CG1 3.74Å; Y406-I535 HydrophobicContact CE2-CG1 4.47Å; L408-I535 HydrophobicContact CB-CD1 3.85Å; L408-I535 HydrophobicContact CD2-CD1 3.83Å; L408-I535 HydrophobicContact CG-CD1 4.49Å; A411-I535 HydrophobicContact CB-CD1 3.65Å; V457-I535 HydrophobicContact CG1-CG2 3.83Å; F461-I535 HydrophobicContact CE2-CG2 4.15Å; H533-I535 PolarHBondContact ND1-N 3.13Å; H533-I535 PolarHBondContact O-N 2.84Å; I535-L537 VanDerWaalsContact C-N 3.34Å; I535-L537 PolarHBondContact O-N 3.38Å; I535-D538 PolarHBondContact O-N 2.8Å; I535-L539 HydrophobicContact CG2-CD1 3.8Å; I535-L539 HydrophobicContact CG2-CG 3.98Å; I535-L539 VanDerWaalsContact O-CB 3.3Å; I535-L539 WeakPolarHBondContact O-CB 3.36Å; I535-L539 VanDerWaalsContact O-CG 3.23Å; I535-L539 WeakPolarHBondContact O-CG 3.38Å; I535-L539 PolarHBondContact O-N 2.9Å |
| 536 | Q | 86.4 | Confident | 81.6 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.4 | -35.6 | -178.9 | -61.9 | 171.9 | -57.1 | 0 | 0 | 111.9 | F461 L516 I532 H533 G534 L540 | F461-Q536 HydrophobicContact CD1-CG 3.93Å; F461-Q536 HydrophobicContact CE1-CG 3.6Å; F461-Q536 HydrophobicContact CE2-CG 4.45Å; F461-Q536 HydrophobicContact CG-CG 4.49Å; F461-Q536 HydrophobicContact CZ-CG 3.9Å; L516-Q536 PolarHBondContact O-NE2 3.2Å; L516-Q536 PolarHBondContact O-OE1 2.8Å; I532-Q536 HydrophobicContact CG2-CB 3.92Å; H533-Q536 HydrophobicContact CB-CG 4.18Å; H533-Q536 VanDerWaalsContact CB-OE1 3.28Å; H533-Q536 VanDerWaalsContact O-CB 3.3Å; H533-Q536 WeakPolarHBondContact O-CB 3.45Å; H533-Q536 PolarHBondContact O-N 3.3Å; G534-Q536 PolarHBondContact O-N 3.42Å; Q536-L540 VanDerWaalsContact O-CG 3.29Å; Q536-L540 WeakPolarHBondContact O-CG 3.35Å; Q536-L540 PolarHBondContact O-N 3.32Å |
| 537 | L | 86.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.9 | -41 | 173.9 | -67.9 | 170.2 | 0 | 0 | 0 | 110.6 | L479 I532 H533 G534 I535 L540 K541 | L479-L537 WeakPolarHBondContact O-CD2 3.23Å; I532-L537 HydrophobicContact CB-CD1 4.4Å; I532-L537 HydrophobicContact CB-CD2 4.41Å; I532-L537 HydrophobicContact CB-CG 4.27Å; I532-L537 HydrophobicContact CD1-CD2 3.99Å; I532-L537 HydrophobicContact CG2-CD1 4.49Å; I532-L537 HydrophobicContact CG2-CD2 4.04Å; I532-L537 HydrophobicContact CG2-CG 3.85Å; H533-L537 PolarHBondContact O-N 3.01Å; G534-L537 WeakPolarHBondContact O-CB 3.21Å; G534-L537 PolarHBondContact O-N 2.85Å; I535-L537 VanDerWaalsContact C-N 3.34Å; I535-L537 PolarHBondContact O-N 3.38Å; L537-L540 CarbonylContact O-C 3.6Å; L537-L540 WeakPolarHBondContact O-CB 3.4Å; L537-L540 PolarHBondContact O-N 3.47Å; L537-L540 VanDerWaalsContact O-N 3.13Å; L537-K541 WeakPolarHBondContact O-CG 3.46Å; L537-K541 PolarHBondContact O-N 3.11Å |
| 538 | D | 79.1 | Confident | 83.6 | Confident | 9 Ų | 9 | 34.4 Ų | 34.4 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.2 | -36.3 | -179.7 | -62.9 | -24.9 | 0 | 0 | 0 | 112.7 | Y406 G534 I535 L540 K541 S542 | Y406-D538 VanDerWaalsContact CE2-OD2 3.29Å; Y406-D538 WeakPolarHBondContact CE2-OD2 3.16Å; Y406-D538 PolarHBondContact OH-OD2 3.39Å; Y406-D538 VanDerWaalsContact OH-OD2 3.06Å; G534-D538 PolarHBondContact O-N 3.23Å; I535-D538 PolarHBondContact O-N 2.8Å; D538-L540 VanDerWaalsContact C-N 3.25Å; D538-L540 PolarHBondContact O-N 2.96Å; D538-K541 PolarHBondContact O-N 2.87Å; D538-K541 WeakPolarHBondContact OD1-CD 3.44Å; D538-K541 WeakPolarHBondContact OD1-CE 3.43Å; D538-K541 IonicContact OD1-NZ 2.74Å; D538-K541 PolarHBondContact OD1-NZ 2.84Å; D538-S542 PolarHBondContact O-N 3.43Å; D538-S542 PolarHBondContact O-OG 3.23Å |
| 539 | L | 81.5 | Confident | 84.1 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -30.7 | 167.8 | -75.1 | 178.1 | 0 | 0 | 0 | 113 | W443 F458 F461 I535 S542 Y543 | W443-L539 HydrophobicContact CB-CD2 3.54Å; W443-L539 HydrophobicContact CG-CD2 4.3Å; F458-L539 HydrophobicContact CB-CD2 3.95Å; F458-L539 HydrophobicContact CD2-CD1 4.46Å; F458-L539 HydrophobicContact CD2-CD2 4.02Å; F458-L539 HydrophobicContact CG-CD2 4.48Å; F461-L539 HydrophobicContact CB-CD1 4.41Å; F461-L539 HydrophobicContact CD2-CD1 3.77Å; F461-L539 HydrophobicContact CG-CD1 4.41Å; I535-L539 HydrophobicContact CG2-CD1 3.8Å; I535-L539 HydrophobicContact CG2-CG 3.98Å; I535-L539 VanDerWaalsContact O-CB 3.3Å; I535-L539 WeakPolarHBondContact O-CB 3.36Å; I535-L539 VanDerWaalsContact O-CG 3.23Å; I535-L539 WeakPolarHBondContact O-CG 3.38Å; I535-L539 PolarHBondContact O-N 2.9Å; L539-S542 PolarHBondContact O-OG 2.89Å; L539-Y543 VanDerWaalsContact O-CB 3.27Å; L539-Y543 WeakPolarHBondContact O-CB 3Å; L539-Y543 PolarHBondContact O-N 3.29Å |
| 540 | L | 84.3 | Confident | 84.4 | Confident | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.3 | -38.6 | 172.4 | -73.6 | 172 | 0 | 0 | 0 | 111.5 | Y476 V480 Q536 L537 D538 S542 Y543 I544 | Y476-L540 HydrophobicContact CD1-CD1 4.19Å; Y476-L540 HydrophobicContact CD1-CD2 4.2Å; Y476-L540 HydrophobicContact CE1-CD1 3.85Å; Y476-L540 HydrophobicContact CE1-CD2 4.1Å; Y476-L540 HydrophobicContact CE1-CG 4.26Å; V480-L540 HydrophobicContact CB-CB 4.05Å; V480-L540 HydrophobicContact CG2-CB 3.82Å; Q536-L540 VanDerWaalsContact O-CG 3.29Å; Q536-L540 WeakPolarHBondContact O-CG 3.35Å; Q536-L540 PolarHBondContact O-N 3.32Å; L537-L540 CarbonylContact O-C 3.6Å; L537-L540 WeakPolarHBondContact O-CB 3.4Å; L537-L540 PolarHBondContact O-N 3.47Å; L537-L540 VanDerWaalsContact O-N 3.13Å; D538-L540 VanDerWaalsContact C-N 3.25Å; D538-L540 PolarHBondContact O-N 2.96Å; L540-S542 VanDerWaalsContact C-N 3.33Å; L540-S542 PolarHBondContact O-N 2.99Å; L540-Y543 PolarHBondContact O-N 3.03Å; L540-I544 HydrophobicContact CB-CD1 4.37Å; L540-I544 HydrophobicContact CD2-CD1 4.15Å; L540-I544 WeakPolarHBondContact O-CB 3.42Å; L540-I544 WeakPolarHBondContact O-CG1 3.44Å; L540-I544 PolarHBondContact O-N 2.84Å |
| 541 | K | 82.8 | Confident | 84.5 | Confident | 52 Ų | 52 | 40.6 Ų | 40.6 | 23% | 0.226 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.9 | -34.2 | 175.7 | -68 | 168.8 | -159.6 | 163.8 | 0 | 112.6 | V480 L537 D538 Q549 | V480-K541 HydrophobicContact CG2-CB 4.44Å; V480-K541 HydrophobicContact CG2-CG 3.85Å; L537-K541 WeakPolarHBondContact O-CG 3.46Å; L537-K541 PolarHBondContact O-N 3.11Å; D538-K541 PolarHBondContact O-N 2.87Å; D538-K541 WeakPolarHBondContact OD1-CD 3.44Å; D538-K541 WeakPolarHBondContact OD1-CE 3.43Å; D538-K541 IonicContact OD1-NZ 2.74Å; D538-K541 PolarHBondContact OD1-NZ 2.84Å; K541-Q549 PolarHBondContact O-NE2 2.88Å; K541-Q549 VanDerWaalsContact O-NE2 3.09Å |
| 542 | S | 76.6 | Confident | 84.8 | Confident | 46 Ų | 46 | 40.9 Ų | 40.9 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -79.1 | -19.7 | 176.4 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | D538 L539 L540 | D538-S542 PolarHBondContact O-N 3.43Å; D538-S542 PolarHBondContact O-OG 3.23Å; L539-S542 PolarHBondContact O-OG 2.89Å; L540-S542 VanDerWaalsContact C-N 3.33Å; L540-S542 PolarHBondContact O-N 2.99Å |
| 543 | Y | 79 | Confident | 85 | Confident | 127 Ų | 127 | 40.8 Ų | 40.8 | 50% | 0.498 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -98.2 | -26.8 | -178.2 | -174.6 | -88.1 | 0 | 0 | 0 | 113.8 | F458 L539 L540 | F458-Y543 HydrophobicContact CE2-CD2 4.29Å; F458-Y543 HydrophobicContact CZ-CD2 4.18Å; F458-Y543 HydrophobicContact CZ-CE2 4.34Å; L539-Y543 VanDerWaalsContact O-CB 3.27Å; L539-Y543 WeakPolarHBondContact O-CB 3Å; L539-Y543 PolarHBondContact O-N 3.29Å; L540-Y543 PolarHBondContact O-N 3.03Å |
| 544 | I | 83.9 | Confident | 85.3 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.046 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -103.3 | 125.3 | -175.2 | -62.3 | 173.3 | 0 | 0 | 0 | 109.7 | R477 V480 L540 E548 Q549 Y552 | R477-I544 HydrophobicContact CB-CD1 3.89Å; R477-I544 HydrophobicContact CG-CD1 4.24Å; R477-I544 WeakPolarHBondContact O-CD1 3.43Å; V480-I544 HydrophobicContact CB-CD1 4.01Å; V480-I544 HydrophobicContact CG1-CD1 3.98Å; V480-I544 HydrophobicContact CG2-CD1 4.28Å; L540-I544 HydrophobicContact CB-CD1 4.37Å; L540-I544 HydrophobicContact CD2-CD1 4.15Å; L540-I544 WeakPolarHBondContact O-CB 3.42Å; L540-I544 WeakPolarHBondContact O-CG1 3.44Å; L540-I544 PolarHBondContact O-N 2.84Å; I544-E548 HydrophobicContact CG2-CB 3.61Å; I544-Q549 HydrophobicContact CB-CG 4.37Å; I544-Q549 HydrophobicContact CG2-CG 3.89Å; I544-Q549 PolarHBondContact O-NE2 3.35Å; I544-Y552 HydrophobicContact CG2-CE2 4Å |
| 545 | D | 84.3 | Confident | 85.8 | Confident | 116 Ų | 116 | 44.8 Ų | 44.8 | 62% | 0.62 | 23% | 0.232 | S | C | * | . | trans | -52.1 | 139 | 177.9 | -74.9 | -42.6 | 0 | 0 | 0 | 112.2 | V547 E548 Q549 | D545-V547 PolarHBondContact O-N 3.03Å; D545-E548 WeakPolarHBondContact O-CA 3.42Å; D545-E548 WeakPolarHBondContact O-CB 3.36Å; D545-E548 PolarHBondContact O-N 2.81Å; D545-Q549 PolarHBondContact O-N 3.26Å | ||
| 546 | P | 82.2 | Confident | 86.3 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.2 | -24 | 179.6 | 23.6 | -33.5 | 0 | 0 | 0 | 112.9 | Q549 A550 | P546-Q549 PolarHBondContact O-N 2.87Å; P546-A550 WeakPolarHBondContact O-CB 3.43Å; P546-A550 PolarHBondContact O-N 2.77Å |
| 547 | V | 85.9 | Confident | 86.6 | Confident | 104 Ų | 104 | 45.3 Ų | 45.3 | 63% | 0.63 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.2 | -38.1 | 172.1 | -177 | 0 | 0 | 0 | 0 | 111.6 | D545 N551 | D545-V547 PolarHBondContact O-N 3.03Å; V547-N551 WeakPolarHBondContact O-CB 3.38Å; V547-N551 PolarHBondContact O-N 3Å; V547-N551 VanDerWaalsContact O-N 3.16Å; V547-N551 PolarHBondContact O-ND2 3.14Å |
| 548 | E | 88.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 51 Ų | 51 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 169.9 | -81.9 | -145 | 169.4 | 0 | 0 | 111.3 | I544 D545 A550 N551 Y552 | I544-E548 HydrophobicContact CG2-CB 3.61Å; D545-E548 WeakPolarHBondContact O-CA 3.42Å; D545-E548 WeakPolarHBondContact O-CB 3.36Å; D545-E548 PolarHBondContact O-N 2.81Å; E548-A550 PolarHBondContact O-N 3.27Å; E548-N551 CarbonylContact O-C 3.6Å; E548-N551 WeakPolarHBondContact O-CA 3.48Å; E548-N551 WeakPolarHBondContact O-CB 3.48Å; E548-N551 PolarHBondContact O-N 3.4Å; E548-N551 VanDerWaalsContact O-N 3.11Å; E548-Y552 HydrophobicContact CB-CD2 4.49Å; E548-Y552 HydrophobicContact CB-CE2 3.87Å; E548-Y552 WeakPolarHBondContact O-CD2 3.38Å; E548-Y552 PolarHBondContact O-N 3.04Å; E548-Y552 WeakPolarHBondContact OE2-CE2 3.33Å; E548-Y552 PolarHBondContact OE2-OH 2.85Å |
| 549 | Q | 88.6 | Confident | 87.4 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.9 | -52.3 | 176.7 | -60.3 | -179.2 | 30.8 | 0 | 0 | 111 | V480 K541 I544 D545 P546 N551 Y552 H553 | V480-Q549 HydrophobicContact CG1-CG 4.21Å; V480-Q549 HydrophobicContact CG2-CG 4.26Å; K541-Q549 PolarHBondContact O-NE2 2.88Å; K541-Q549 VanDerWaalsContact O-NE2 3.09Å; I544-Q549 HydrophobicContact CB-CG 4.37Å; I544-Q549 HydrophobicContact CG2-CG 3.89Å; I544-Q549 PolarHBondContact O-NE2 3.35Å; D545-Q549 PolarHBondContact O-N 3.26Å; P546-Q549 PolarHBondContact O-N 2.87Å; Q549-N551 VanDerWaalsContact C-N 3.27Å; Q549-N551 PolarHBondContact O-N 2.98Å; Q549-Y552 PolarHBondContact O-N 2.81Å; Q549-H553 PolarHBondContact O-CD2 3.32Å; Q549-H553 VanDerWaalsContact O-CD2 3.26Å; Q549-H553 PolarHBondContact O-N 2.83Å |
| 550 | A | 88.8 | Confident | 87.9 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P546 E548 H553 A554 | P546-A550 WeakPolarHBondContact O-CB 3.43Å; P546-A550 PolarHBondContact O-N 2.77Å; E548-A550 PolarHBondContact O-N 3.27Å; A550-H553 PolarHBondContact O-N 3.48Å; A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 2.91Å |
| 551 | N | 91.3 | Very high | 88.1 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.5 | -34.7 | 173.7 | -85.4 | -66.2 | 0 | 0 | 0 | 113.2 | V547 E548 Q549 K555 | V547-N551 WeakPolarHBondContact O-CB 3.38Å; V547-N551 PolarHBondContact O-N 3Å; V547-N551 VanDerWaalsContact O-N 3.16Å; V547-N551 PolarHBondContact O-ND2 3.14Å; E548-N551 CarbonylContact O-C 3.6Å; E548-N551 WeakPolarHBondContact O-CA 3.48Å; E548-N551 WeakPolarHBondContact O-CB 3.48Å; E548-N551 PolarHBondContact O-N 3.4Å; E548-N551 VanDerWaalsContact O-N 3.11Å; Q549-N551 VanDerWaalsContact C-N 3.27Å; Q549-N551 PolarHBondContact O-N 2.98Å; N551-K555 WeakPolarHBondContact O-CB 3.27Å; N551-K555 WeakPolarHBondContact O-CD 3.35Å; N551-K555 WeakPolarHBondContact O-CG 3.44Å; N551-K555 PolarHBondContact O-N 3.1Å; N551-K555 VanDerWaalsContact O-N 3.09Å |
| 552 | Y | 93.1 | Very high | 88.4 | Confident | 32 Ų | 32 | 58 Ų | 58 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.2 | -42 | 173.1 | -62.8 | -51.5 | 0 | 0 | 0 | 111.7 | R478 V480 I481 I544 E548 Q549 A554 K555 F556 | R478-Y552 HydrophobicContact CG-CD1 3.82Å; R478-Y552 HydrophobicContact CG-CE1 3.78Å; V480-Y552 HydrophobicContact CG1-CD2 4.01Å; I481-Y552 VanDerWaalsContact CG2-CB 3.45Å; I544-Y552 HydrophobicContact CG2-CE2 4Å; E548-Y552 HydrophobicContact CB-CD2 4.49Å; E548-Y552 HydrophobicContact CB-CE2 3.87Å; E548-Y552 WeakPolarHBondContact O-CD2 3.38Å; E548-Y552 PolarHBondContact O-N 3.04Å; E548-Y552 WeakPolarHBondContact OE2-CE2 3.33Å; E548-Y552 PolarHBondContact OE2-OH 2.85Å; Q549-Y552 PolarHBondContact O-N 2.81Å; Y552-A554 PolarHBondContact O-N 2.7Å; Y552-K555 PolarHBondContact O-N 2.85Å; Y552-F556 WeakPolarHBondContact O-CB 3.27Å; Y552-F556 PolarHBondContact O-N 3.1Å |
| 553 | H | 93.3 | Very high | 88.8 | Confident | 11 Ų | 11 | 61 Ų | 61 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.7 | -48.9 | 172.5 | -79.7 | -89.6 | 0 | 0 | 0 | 111.2 | I481 Q549 A550 K555 F556 I557 H587 A591 | I481-H553 PolarHBondContact O-CE1 3.02Å; Q549-H553 PolarHBondContact O-CD2 3.32Å; Q549-H553 VanDerWaalsContact O-CD2 3.26Å; Q549-H553 PolarHBondContact O-N 2.83Å; A550-H553 PolarHBondContact O-N 3.48Å; H553-K555 PolarHBondContact O-N 2.88Å; H553-F556 PolarHBondContact O-N 3.02Å; H553-I557 WeakPolarHBondContact O-CD1 3.47Å; H553-I557 PolarHBondContact O-N 3.09Å; H553-H587 AromaticContact CE1-ND1 3.53Å; H553-H587 AromaticContact CG-ND1 3.98Å; H553-H587 AromaticContact ND1-CG 3.62Å; H553-H587 AromaticContact ND1-ND1 2.96Å; H553-H587 PolarHBondContact ND1-ND1 2.97Å; H553-A591 HydrophobicContact CB-CB 3.84Å |
| 554 | A | 90.8 | Very high | 88.8 | Confident | 12 Ų | 12 | 55 Ų | 55 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A550 Y552 F556 I557 Q558 A591 | A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 2.91Å; Y552-A554 PolarHBondContact O-N 2.7Å; A554-F556 PolarHBondContact O-N 2.72Å; A554-I557 PolarHBondContact O-N 3.1Å; A554-Q558 PolarHBondContact O-N 3.09Å; A554-Q558 VanDerWaalsContact O-N 3.09Å; A554-A591 HydrophobicContact CB-CB 4.12Å |
| 555 | K | 92.3 | Very high | 88.7 | Confident | 107 Ų | 107 | 57 Ų | 57 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 179.4 | -73.9 | 165.8 | -173.3 | 168.3 | 0 | 112.3 | N551 Y552 H553 I557 Q558 N559 | N551-K555 WeakPolarHBondContact O-CB 3.27Å; N551-K555 WeakPolarHBondContact O-CD 3.35Å; N551-K555 WeakPolarHBondContact O-CG 3.44Å; N551-K555 PolarHBondContact O-N 3.1Å; N551-K555 VanDerWaalsContact O-N 3.09Å; Y552-K555 PolarHBondContact O-N 2.85Å; H553-K555 PolarHBondContact O-N 2.88Å; K555-I557 PolarHBondContact O-N 2.89Å; K555-Q558 PolarHBondContact O-N 3.47Å; K555-N559 VanDerWaalsContact O-CG 3.23Å; K555-N559 PolarHBondContact O-N 2.9Å; K555-N559 PolarHBondContact O-OD1 3.39Å |
| 556 | F | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 177.7 | 179.4 | -114.1 | 0 | 0 | 0 | 112.3 | I481 F482 V492 L496 Y552 H553 A554 N559 Y560 Y579 H587 | I481-F556 HydrophobicContact CD1-CB 3.77Å; I481-F556 HydrophobicContact CD1-CD1 4.12Å; I481-F556 HydrophobicContact CD1-CD2 4.01Å; I481-F556 HydrophobicContact CD1-CG 3.72Å; F482-F556 HydrophobicContact CE1-CZ 4.35Å; F482-F556 HydrophobicContact CZ-CE2 4.39Å; V492-F556 HydrophobicContact CG1-CE2 4.13Å; V492-F556 HydrophobicContact CG1-CZ 4.07Å; L496-F556 HydrophobicContact CB-CD2 3.81Å; L496-F556 HydrophobicContact CB-CE2 4.04Å; L496-F556 HydrophobicContact CD1-CB 4.15Å; L496-F556 HydrophobicContact CD1-CD2 3.78Å; L496-F556 HydrophobicContact CD1-CG 4.36Å; L496-F556 HydrophobicContact CG-CD2 4.35Å; Y552-F556 WeakPolarHBondContact O-CB 3.27Å; Y552-F556 PolarHBondContact O-N 3.1Å; H553-F556 PolarHBondContact O-N 3.02Å; A554-F556 PolarHBondContact O-N 2.72Å; F556-N559 PolarHBondContact O-N 3.35Å; F556-Y560 HydrophobicContact CD2-CD2 4.44Å; F556-Y560 HydrophobicContact CD2-CE2 4.47Å; F556-Y560 HydrophobicContact CE1-CD2 4.2Å; F556-Y560 HydrophobicContact CE1-CE2 4.1Å; F556-Y560 HydrophobicContact CE2-CD2 4.11Å; F556-Y560 AromaticContact CE2-CE2 3.71Å; F556-Y560 HydrophobicContact CE2-CE2 3.71Å; F556-Y560 AromaticContact CZ-CD2 3.99Å; F556-Y560 HydrophobicContact CZ-CD2 3.99Å; F556-Y560 AromaticContact CZ-CE2 3.51Å; F556-Y560 HydrophobicContact CZ-CE2 3.51Å; F556-Y560 PolarHBondContact O-N 2.74Å; F556-Y579 AromaticContact CE1-CE1 3.93Å; F556-Y579 HydrophobicContact CE1-CE1 3.93Å; F556-Y579 HydrophobicContact CZ-CD1 4.17Å; F556-Y579 AromaticContact CZ-CE1 3.84Å; F556-Y579 HydrophobicContact CZ-CE1 3.84Å; F556-H587 AromaticContact CD1-CD2 3.86Å; F556-H587 AromaticContact CD1-CE1 3.66Å; F556-H587 AromaticContact CD1-CG 3.94Å; F556-H587 AromaticContact CD1-ND1 3.78Å; F556-H587 AromaticContact CD1-NE2 3.68Å; F556-H587 AromaticContact CE1-CD2 3.72Å; F556-H587 AromaticContact CE1-CE1 3.65Å; F556-H587 AromaticContact CE1-NE2 3.29Å; F556-H587 VanDerWaalsContact CE1-NE2 3.29Å; F556-H587 WeakPolarHBondContact CE1-NE2 3.48Å |
| 557 | I | 91.9 | Very high | 88.3 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 177.5 | -64.2 | 148.2 | 0 | 0 | 0 | 111.3 | H553 A554 K555 N559 Y560 F561 H587 L588 | H553-I557 WeakPolarHBondContact O-CD1 3.47Å; H553-I557 PolarHBondContact O-N 3.09Å; A554-I557 PolarHBondContact O-N 3.1Å; K555-I557 PolarHBondContact O-N 2.89Å; I557-N559 VanDerWaalsContact C-N 3.3Å; I557-N559 PolarHBondContact O-N 2.79Å; I557-Y560 PolarHBondContact O-N 2.82Å; I557-F561 PolarHBondContact O-N 3.26Å; I557-H587 HydrophobicContact CD1-CB 3.46Å; I557-H587 VanDerWaalsContact CD1-CB 3.46Å; I557-H587 HydrophobicContact CG1-CB 3.93Å; I557-L588 HydrophobicContact CD1-CB 4.25Å; I557-L588 HydrophobicContact CD1-CD2 3.67Å; I557-L588 HydrophobicContact CD1-CG 3.53Å; I557-L588 HydrophobicContact CG1-CG 4.42Å; I557-L588 HydrophobicContact CG2-CD2 4.22Å; I557-L588 HydrophobicContact CG2-CG 4.42Å |
| 558 | Q | 90.5 | Very high | 88.3 | Confident | 123 Ų | 123 | 54 Ų | 54 | 58% | 0.575 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 174.5 | -174.4 | 175.8 | 0.9 | 0 | 0 | 111.6 | A554 K555 F561 T562 | A554-Q558 PolarHBondContact O-N 3.09Å; A554-Q558 VanDerWaalsContact O-N 3.09Å; K555-Q558 PolarHBondContact O-N 3.47Å; Q558-F561 PolarHBondContact O-N 2.98Å; Q558-T562 PolarHBondContact O-N 2.79Å; Q558-T562 PolarHBondContact O-OG1 3.12Å |
| 559 | N | 92.5 | Very high | 87.8 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.5 | -34.8 | 176.1 | -66.7 | -5.2 | 0 | 0 | 0 | 112.4 | I495 L496 K555 F556 I557 T562 F563 | I495-N559 HydrophobicContact CG2-CB 3.8Å; I495-N559 WeakPolarHBondContact O-CB 3.07Å; I495-N559 PolarHBondContact O-ND2 2.7Å; L496-N559 PolarHBondContact O-ND2 3.21Å; K555-N559 VanDerWaalsContact O-CG 3.23Å; K555-N559 PolarHBondContact O-N 2.9Å; K555-N559 PolarHBondContact O-OD1 3.39Å; F556-N559 PolarHBondContact O-N 3.35Å; I557-N559 VanDerWaalsContact C-N 3.3Å; I557-N559 PolarHBondContact O-N 2.79Å; N559-T562 WeakPolarHBondContact CA-OG1 3.21Å; N559-T562 PolarHBondContact O-OG1 2.92Å; N559-F563 VanDerWaalsContact O-CB 3.27Å; N559-F563 WeakPolarHBondContact O-CB 3.23Å; N559-F563 PolarHBondContact O-N 2.86Å |
| 560 | Y | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 170.8 | -102.7 | -81.1 | 0 | 0 | 0 | 112.1 | I495 F556 I557 F563 C564 L571 H577 F580 | I495-Y560 HydrophobicContact CB-CD2 4.41Å; I495-Y560 HydrophobicContact CB-CE2 4.12Å; I495-Y560 HydrophobicContact CD1-CD1 4.3Å; I495-Y560 HydrophobicContact CD1-CE1 3.77Å; I495-Y560 HydrophobicContact CD1-CE2 4.12Å; I495-Y560 HydrophobicContact CG2-CD2 3.44Å; I495-Y560 VanDerWaalsContact CG2-CD2 3.44Å; I495-Y560 HydrophobicContact CG2-CE2 3.64Å; I495-Y560 HydrophobicContact CG2-CG 3.91Å; F556-Y560 HydrophobicContact CD2-CD2 4.44Å; F556-Y560 HydrophobicContact CD2-CE2 4.47Å; F556-Y560 HydrophobicContact CE1-CD2 4.2Å; F556-Y560 HydrophobicContact CE1-CE2 4.1Å; F556-Y560 HydrophobicContact CE2-CD2 4.11Å; F556-Y560 AromaticContact CE2-CE2 3.71Å; F556-Y560 HydrophobicContact CE2-CE2 3.71Å; F556-Y560 AromaticContact CZ-CD2 3.99Å; F556-Y560 HydrophobicContact CZ-CD2 3.99Å; F556-Y560 AromaticContact CZ-CE2 3.51Å; F556-Y560 HydrophobicContact CZ-CE2 3.51Å; F556-Y560 PolarHBondContact O-N 2.74Å; I557-Y560 PolarHBondContact O-N 2.82Å; Y560-F563 PolarHBondContact O-N 2.89Å; Y560-C564 WeakPolarHBondContact O-CB 3.45Å; Y560-C564 PolarHBondContact O-N 3.46Å; Y560-C564 PolarHBondContact O-SG 2.81Å; Y560-L571 HydrophobicContact CD1-CD1 3.94Å; Y560-L571 HydrophobicContact CD1-CD2 4.35Å; Y560-L571 HydrophobicContact CE1-CD1 4.18Å; Y560-L571 HydrophobicContact CE1-CD2 4.18Å; Y560-H577 AromaticContact CE1-ND1 3.58Å; Y560-H577 AromaticContact CZ-ND1 3.81Å; Y560-H577 PolarHBondContact OH-ND1 2.88Å; Y560-H577 VanDerWaalsContact OH-ND1 3.14Å; Y560-F580 HydrophobicContact CD1-CB 4.31Å; Y560-F580 HydrophobicContact CD1-CD1 4.2Å; Y560-F580 AromaticContact CD1-CD2 3.5Å; Y560-F580 HydrophobicContact CD1-CD2 3.5Å; Y560-F580 VanDerWaalsContact CD1-CD2 3.5Å; Y560-F580 HydrophobicContact CD1-CE1 4.44Å; Y560-F580 AromaticContact CD1-CE2 3.8Å; Y560-F580 HydrophobicContact CD1-CE2 3.8Å; Y560-F580 AromaticContact CD1-CG 3.73Å; Y560-F580 HydrophobicContact CD1-CG 3.73Å; Y560-F580 HydrophobicContact CD1-CZ 4.27Å; Y560-F580 AromaticContact CD2-CD2 3.66Å; Y560-F580 HydrophobicContact CD2-CD2 3.66Å; Y560-F580 HydrophobicContact CD2-CE2 4.12Å; Y560-F580 HydrophobicContact CD2-CG 4.47Å; Y560-F580 HydrophobicContact CE1-CB 3.73Å; Y560-F580 HydrophobicContact CE1-CD1 4.28Å; Y560-F580 AromaticContact CE1-CD2 3.79Å; Y560-F580 HydrophobicContact CE1-CD2 3.79Å; Y560-F580 AromaticContact CE1-CG 3.65Å; Y560-F580 HydrophobicContact CE1-CG 3.65Å; Y560-F580 HydrophobicContact CE2-CB 4.31Å; Y560-F580 AromaticContact CE2-CD2 3.96Å; Y560-F580 HydrophobicContact CE2-CD2 3.96Å; Y560-F580 HydrophobicContact CE2-CG 4.43Å; Y560-F580 AromaticContact CG-CD2 3.44Å; Y560-F580 HydrophobicContact CG-CD2 3.44Å; Y560-F580 VanDerWaalsContact CG-CD2 3.44Å; Y560-F580 AromaticContact CG-CE2 3.57Å; Y560-F580 HydrophobicContact CG-CE2 3.57Å; Y560-F580 HydrophobicContact CG-CG 4.16Å; Y560-F580 HydrophobicContact CG-CZ 4.37Å |
| 561 | F | 88.7 | Confident | 86.9 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 46% | 0.456 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 177.3 | -177 | -96.3 | 0 | 0 | 0 | 112.5 | I557 Q558 C564 G565 G566 W568 | I557-F561 PolarHBondContact O-N 3.26Å; Q558-F561 PolarHBondContact O-N 2.98Å; F561-C564 PolarHBondContact O-N 3.38Å; F561-G565 PolarHBondContact O-N 2.78Å; F561-G565 VanDerWaalsContact O-N 3.08Å; F561-G566 PolarHBondContact O-N 2.98Å; F561-G566 VanDerWaalsContact O-N 3.11Å; F561-W568 HydrophobicContact CB-CH2 4.08Å; F561-W568 AromaticContact CD2-CH2 3.91Å; F561-W568 HydrophobicContact CD2-CH2 3.91Å; F561-W568 AromaticContact CD2-CZ2 3.75Å; F561-W568 HydrophobicContact CD2-CZ2 3.75Å; F561-W568 HydrophobicContact CE2-CZ2 4.48Å |
| 562 | T | 89.4 | Confident | 85.9 | Confident | 91 Ų | 91 | 53 Ų | 53 | 56% | 0.558 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.8 | -41.9 | 175.9 | 55.9 | 0 | 0 | 0 | 0 | 112 | Q558 N559 C564 G565 | Q558-T562 PolarHBondContact O-N 2.79Å; Q558-T562 PolarHBondContact O-OG1 3.12Å; N559-T562 WeakPolarHBondContact CA-OG1 3.21Å; N559-T562 PolarHBondContact O-OG1 2.92Å; T562-C564 VanDerWaalsContact C-N 3.31Å; T562-C564 PolarHBondContact O-N 3.23Å; T562-G565 PolarHBondContact O-N 3.43Å |
| 563 | F | 86 | Confident | 84.4 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 48% | 0.478 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 173.5 | -178.1 | -99.5 | 0 | 0 | 0 | 112.2 | I495 N559 Y560 G565 L571 H577 | I495-F563 HydrophobicContact CD1-CB 4.47Å; I495-F563 HydrophobicContact CD1-CD1 3.8Å; I495-F563 HydrophobicContact CD1-CD2 4.21Å; I495-F563 HydrophobicContact CD1-CE1 4Å; I495-F563 HydrophobicContact CD1-CE2 4.4Å; I495-F563 HydrophobicContact CD1-CG 3.91Å; I495-F563 HydrophobicContact CD1-CZ 4.3Å; I495-F563 HydrophobicContact CG1-CB 4.45Å; I495-F563 HydrophobicContact CG1-CD2 4.11Å; I495-F563 HydrophobicContact CG1-CE2 4.49Å; I495-F563 HydrophobicContact CG1-CG 4.12Å; N559-F563 VanDerWaalsContact O-CB 3.27Å; N559-F563 WeakPolarHBondContact O-CB 3.23Å; N559-F563 PolarHBondContact O-N 2.86Å; Y560-F563 PolarHBondContact O-N 2.89Å; F563-G565 VanDerWaalsContact C-N 3.28Å; F563-G565 PolarHBondContact O-N 2.75Å; F563-L571 HydrophobicContact CD1-CD2 4.14Å; F563-L571 HydrophobicContact CE1-CD2 4.12Å; F563-H577 AromaticContact CE1-CE1 3.92Å; F563-H577 AromaticContact CE1-NE2 3.83Å |
| 564 | C | 78.9 | Confident | 83 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.2 | -20.8 | 174.5 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | Y560 F561 T562 G566 R567 K570 L571 | Y560-C564 WeakPolarHBondContact O-CB 3.45Å; Y560-C564 PolarHBondContact O-N 3.46Å; Y560-C564 PolarHBondContact O-SG 2.81Å; F561-C564 PolarHBondContact O-N 3.38Å; T562-C564 VanDerWaalsContact C-N 3.31Å; T562-C564 PolarHBondContact O-N 3.23Å; C564-G566 PolarHBondContact O-N 2.72Å; C564-R567 PolarHBondContact O-N 3.08Å; C564-K570 WeakPolarHBondContact O-CD 2.92Å; C564-K570 WeakPolarHBondContact O-CE 3.25Å; C564-K570 PolarHBondContact O-NZ 3.3Å; C564-L571 VanDerWaalsContact SG-CD1 3.56Å; C564-L571 VanDerWaalsContact SG-CG 3.5Å |
| 565 | G | 81.4 | Confident | 81.8 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 45.2 | -164.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F561 T562 F563 R567 | F561-G565 PolarHBondContact O-N 2.78Å; F561-G565 VanDerWaalsContact O-N 3.08Å; T562-G565 PolarHBondContact O-N 3.43Å; F563-G565 VanDerWaalsContact C-N 3.28Å; F563-G565 PolarHBondContact O-N 2.75Å; G565-R567 PolarHBondContact O-N 2.93Å; G565-R567 VanDerWaalsContact O-N 3.17Å |
| 566 | G | 76.8 | Confident | 80.8 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -1.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | F561 C564 | F561-G566 PolarHBondContact O-N 2.98Å; F561-G566 VanDerWaalsContact O-N 3.11Å; C564-G566 PolarHBondContact O-N 2.72Å |
| 567 | R | 81.9 | Confident | 80.2 | Confident | 171 Ų | 171 | 61.8 Ų | 61.8 | 65% | 0.645 | 32% | 0.317 | S | S | * | . | trans | -106.4 | 89.8 | -177.7 | -62.8 | -172.2 | -172.2 | 179 | 1.6 | 112.4 | C564 G565 L569 K570 | C564-R567 PolarHBondContact O-N 3.08Å; G565-R567 PolarHBondContact O-N 2.93Å; G565-R567 VanDerWaalsContact O-N 3.17Å; R567-L569 PolarHBondContact O-N 2.86Å; R567-K570 HydrophobicContact CB-CD 4.45Å; R567-K570 HydrophobicContact CB-CG 4.32Å; R567-K570 WeakPolarHBondContact O-CB 3.28Å; R567-K570 PolarHBondContact O-N 2.99Å; R567-K570 VanDerWaalsContact O-N 3.13Å | ||
| 568 | W | 84.5 | Confident | 79.8 | Confident | 17 Ų | 17 | 64 Ų | 64 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -55.3 | -33.5 | -176.7 | -58.2 | 120 | 0 | 0 | 0 | 114.5 | F561 K570 L571 F580 W581 L600 F606 | F561-W568 HydrophobicContact CB-CH2 4.08Å; F561-W568 AromaticContact CD2-CH2 3.91Å; F561-W568 HydrophobicContact CD2-CH2 3.91Å; F561-W568 AromaticContact CD2-CZ2 3.75Å; F561-W568 HydrophobicContact CD2-CZ2 3.75Å; F561-W568 HydrophobicContact CE2-CZ2 4.48Å; W568-K570 PolarHBondContact O-N 3.4Å; W568-L571 HydrophobicContact CE3-CD1 4.29Å; W568-L571 PolarHBondContact O-N 3Å; W568-F580 HydrophobicContact CE3-CE1 4.09Å; W568-F580 AromaticContact CE3-CZ 3.96Å; W568-F580 HydrophobicContact CE3-CZ 3.96Å; W568-F580 HydrophobicContact CH2-CZ 4.15Å; W568-F580 HydrophobicContact CZ3-CE1 4.08Å; W568-F580 HydrophobicContact CZ3-CE2 4.38Å; W568-F580 AromaticContact CZ3-CZ 3.48Å; W568-F580 HydrophobicContact CZ3-CZ 3.48Å; W568-F580 VanDerWaalsContact CZ3-CZ 3.48Å; W568-W581 HydrophobicContact CB-CH2 4.44Å; W568-L600 HydrophobicContact CD2-CD1 4.47Å; W568-L600 HydrophobicContact CH2-CD1 4.35Å; W568-L600 HydrophobicContact CZ2-CD1 3.63Å; W568-F606 HydrophobicContact CB-CB 4.31Å; W568-F606 HydrophobicContact CD2-CD2 4.34Å; W568-F606 HydrophobicContact CG-CB 4.04Å; W568-F606 HydrophobicContact CG-CD2 4.28Å |
| 569 | L | 78.2 | Confident | 79.6 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 29% | 0.293 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -59.2 | -16.6 | 179.1 | -70.6 | 176.4 | 0 | 0 | 0 | 114.4 | R567 L571 V572 D605 R608 | R567-L569 PolarHBondContact O-N 2.86Å; L569-L571 VanDerWaalsContact C-N 3.27Å; L569-L571 PolarHBondContact O-N 3.47Å; L569-V572 HydrophobicContact CD2-CG2 4.19Å; L569-V572 WeakPolarHBondContact O-CB 3.39Å; L569-V572 WeakPolarHBondContact O-CG2 3.4Å; L569-V572 PolarHBondContact O-N 3.35Å; L569-D605 HydrophobicContact CD1-CB 4.35Å; L569-D605 VanDerWaalsContact CD1-OD1 3.23Å; L569-D605 WeakPolarHBondContact CD1-OD1 3.27Å; L569-D605 VanDerWaalsContact CD2-O 3.32Å; L569-D605 WeakPolarHBondContact CD2-O 3.5Å; L569-D605 HydrophobicContact CG-CB 4.08Å; L569-R608 HydrophobicContact CD2-CB 4.21Å; L569-R608 HydrophobicContact CD2-CG 4.11Å |
| 570 | K | 78.5 | Confident | 79.4 | Confident | 112 Ų | 112 | 57.7 Ų | 57.7 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -64.4 | -27.5 | 171.7 | -68.7 | -178.6 | -176.1 | 168.2 | 0 | 113.5 | C564 R567 W568 V572 S573 | C564-K570 WeakPolarHBondContact O-CD 2.92Å; C564-K570 WeakPolarHBondContact O-CE 3.25Å; C564-K570 PolarHBondContact O-NZ 3.3Å; R567-K570 HydrophobicContact CB-CD 4.45Å; R567-K570 HydrophobicContact CB-CG 4.32Å; R567-K570 WeakPolarHBondContact O-CB 3.28Å; R567-K570 PolarHBondContact O-N 2.99Å; R567-K570 VanDerWaalsContact O-N 3.13Å; W568-K570 PolarHBondContact O-N 3.4Å; K570-V572 PolarHBondContact O-N 2.9Å; K570-S573 PolarHBondContact O-OG 2.85Å; K570-S573 VanDerWaalsContact O-OG 3.08Å |
| 571 | L | 80 | Confident | 79.3 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -79.3 | -0.6 | -179.9 | -58 | 175.2 | 0 | 0 | 0 | 113.2 | Y560 F563 C564 W568 L569 H577 F580 W581 | Y560-L571 HydrophobicContact CD1-CD1 3.94Å; Y560-L571 HydrophobicContact CD1-CD2 4.35Å; Y560-L571 HydrophobicContact CE1-CD1 4.18Å; Y560-L571 HydrophobicContact CE1-CD2 4.18Å; F563-L571 HydrophobicContact CD1-CD2 4.14Å; F563-L571 HydrophobicContact CE1-CD2 4.12Å; C564-L571 VanDerWaalsContact SG-CD1 3.56Å; C564-L571 VanDerWaalsContact SG-CG 3.5Å; W568-L571 HydrophobicContact CE3-CD1 4.29Å; W568-L571 PolarHBondContact O-N 3Å; L569-L571 VanDerWaalsContact C-N 3.27Å; L569-L571 PolarHBondContact O-N 3.47Å; L571-H577 HydrophobicContact CB-CB 4.44Å; L571-F580 HydrophobicContact CD1-CD1 3.52Å; L571-F580 HydrophobicContact CD1-CE1 3.49Å; L571-F580 VanDerWaalsContact CD1-CE1 3.49Å; L571-F580 HydrophobicContact CD1-CG 4.37Å; L571-F580 HydrophobicContact CD1-CZ 4.34Å; L571-W581 HydrophobicContact CB-CZ2 3.65Å; L571-W581 PolarHBondContact O-NE1 2.82Å; L571-W581 VanDerWaalsContact O-NE1 3.13Å |
| 572 | V | 71.3 | Confident | 79.1 | Confident | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -87.2 | -17 | -176.5 | -175 | 0 | 0 | 0 | 0 | 111.8 | L569 K570 W581 G609 K612 V613 | L569-V572 HydrophobicContact CD2-CG2 4.19Å; L569-V572 WeakPolarHBondContact O-CB 3.39Å; L569-V572 WeakPolarHBondContact O-CG2 3.4Å; L569-V572 PolarHBondContact O-N 3.35Å; K570-V572 PolarHBondContact O-N 2.9Å; V572-W581 HydrophobicContact CG2-CH2 4.17Å; V572-W581 HydrophobicContact CG2-CZ2 3.6Å; V572-G609 VanDerWaalsContact CG2-CA 3.44Å; V572-K612 HydrophobicContact CG1-CD 3.78Å; V572-K612 HydrophobicContact CG1-CG 4.12Å; V572-V613 HydrophobicContact CG1-CG2 4.44Å |
| 573 | S | 61.2 | Low | 79.1 | Confident | 107 Ų | 107 | 53 Ų | 53 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -83.3 | -10.8 | -179.2 | 44.2 | 0 | 0 | 0 | 0 | 115 | K570 | K570-S573 PolarHBondContact O-OG 2.85Å; K570-S573 VanDerWaalsContact O-OG 3.08Å |
| 574 | S | 63.1 | Low | 79.3 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | trans | -132.1 | 130.4 | 179.5 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | E576 H577 | S574-E576 WeakPolarHBondContact CB-OE2 3.23Å; S574-E576 PolarHBondContact O-N 3.47Å; S574-E576 PolarHBondContact OG-OE2 3.06Å; S574-H577 PolarHBondContact OG-CD2 3.32Å; S574-H577 VanDerWaalsContact OG-CD2 3.28Å | ||
| 575 | W | 65.5 | Low | 79.8 | Confident | 171 Ų | 171 | 47.9 Ų | 47.9 | 65% | 0.648 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -66.4 | -1.6 | 175.3 | -59.3 | 86.4 | 0 | 0 | 0 | 113.3 | V525 H577 I578 | V525-W575 HydrophobicContact CG2-CB 4.14Å; W575-H577 VanDerWaalsContact C-N 3.3Å; W575-H577 PolarHBondContact O-N 2.97Å; W575-I578 HydrophobicContact CB-CD1 4.28Å; W575-I578 HydrophobicContact CE3-CD1 4.13Å; W575-I578 WeakPolarHBondContact O-CD1 3.17Å; W575-I578 VanDerWaalsContact O-CG1 3.29Å; W575-I578 WeakPolarHBondContact O-CG1 3.27Å |
| 576 | E | 71.7 | Confident | 80.1 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -73.1 | -21.3 | -179.3 | -56.7 | 165.1 | 127 | 0 | 0 | 112.9 | K491 V525 N527 S574 | K491-E576 HydrophobicContact CD-CB 4Å; K491-E576 HydrophobicContact CD-CG 4.44Å; K491-E576 VanDerWaalsContact CD-OE2 3.25Å; K491-E576 WeakPolarHBondContact CD-OE2 3.23Å; K491-E576 WeakPolarHBondContact CE-OE2 3.35Å; K491-E576 IonicContact NZ-OE1 2.84Å; K491-E576 PolarHBondContact NZ-OE1 3.25Å; K491-E576 IonicContact NZ-OE2 3Å; K491-E576 PolarHBondContact NZ-OE2 3.42Å; K491-E576 VanDerWaalsContact NZ-OE2 3.09Å; V525-E576 HydrophobicContact CG1-CG 3.95Å; N527-E576 PolarHBondContact ND2-OE1 3.29Å; S574-E576 WeakPolarHBondContact CB-OE2 3.23Å; S574-E576 PolarHBondContact O-N 3.47Å; S574-E576 PolarHBondContact OG-OE2 3.06Å |
| 577 | H | 81.8 | Confident | 80.8 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -104.5 | 13.9 | -174.8 | -61.4 | -66 | 0 | 0 | 0 | 114.5 | Y560 F563 L571 S574 W575 Y579 F580 W581 | Y560-H577 AromaticContact CE1-ND1 3.58Å; Y560-H577 AromaticContact CZ-ND1 3.81Å; Y560-H577 PolarHBondContact OH-ND1 2.88Å; Y560-H577 VanDerWaalsContact OH-ND1 3.14Å; F563-H577 AromaticContact CE1-CE1 3.92Å; F563-H577 AromaticContact CE1-NE2 3.83Å; L571-H577 HydrophobicContact CB-CB 4.44Å; S574-H577 PolarHBondContact OG-CD2 3.32Å; S574-H577 VanDerWaalsContact OG-CD2 3.28Å; W575-H577 VanDerWaalsContact C-N 3.3Å; W575-H577 PolarHBondContact O-N 2.97Å; H577-Y579 PolarHBondContact O-N 3.42Å; H577-Y579 VanDerWaalsContact O-N 3.16Å; H577-F580 WeakPolarHBondContact O-CB 3.39Å; H577-F580 PolarHBondContact O-N 3.21Å; H577-W581 VanDerWaalsContact O-CD1 3.3Å; H577-W581 PolarHBondContact O-N 3.4Å |
| 578 | I | 82.5 | Confident | 81.3 | Confident | 65 Ų | 65 | 37.6 Ų | 37.6 | 33% | 0.333 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -52.9 | -38.4 | 177.9 | -64 | 163.3 | 0 | 0 | 0 | 111.3 | W575 F580 W581 N582 V613 | W575-I578 HydrophobicContact CB-CD1 4.28Å; W575-I578 HydrophobicContact CE3-CD1 4.13Å; W575-I578 WeakPolarHBondContact O-CD1 3.17Å; W575-I578 VanDerWaalsContact O-CG1 3.29Å; W575-I578 WeakPolarHBondContact O-CG1 3.27Å; I578-F580 VanDerWaalsContact C-N 3.35Å; I578-F580 PolarHBondContact O-N 3.47Å; I578-W581 PolarHBondContact O-N 2.73Å; I578-N582 PolarHBondContact O-N 3.09Å; I578-V613 HydrophobicContact CG1-CG1 4.35Å |
| 579 | Y | 86.6 | Confident | 81.6 | Confident | 24 Ų | 24 | 41 Ų | 41 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.5 | -48.3 | 174.8 | 178.6 | -98.3 | 0 | 0 | 0 | 113 | F482 I486 V492 F556 H577 N582 N583 H587 | F482-Y579 HydrophobicContact CD1-CE1 4.12Å; F482-Y579 HydrophobicContact CD1-CE2 4.39Å; F482-Y579 AromaticContact CD1-CZ 3.71Å; F482-Y579 WeakPolarHBondContact CD1-OH 3.48Å; F482-Y579 HydrophobicContact CE1-CD1 4.46Å; F482-Y579 AromaticContact CE1-CE1 3.65Å; F482-Y579 HydrophobicContact CE1-CE1 3.65Å; F482-Y579 AromaticContact CE1-CZ 3.75Å; I486-Y579 HydrophobicContact CD1-CE2 3.8Å; I486-Y579 HydrophobicContact CG2-CD2 3.65Å; I486-Y579 HydrophobicContact CG2-CE2 3.61Å; V492-Y579 HydrophobicContact CG1-CD1 4.15Å; F556-Y579 AromaticContact CE1-CE1 3.93Å; F556-Y579 HydrophobicContact CE1-CE1 3.93Å; F556-Y579 HydrophobicContact CZ-CD1 4.17Å; F556-Y579 AromaticContact CZ-CE1 3.84Å; F556-Y579 HydrophobicContact CZ-CE1 3.84Å; H577-Y579 PolarHBondContact O-N 3.42Å; H577-Y579 VanDerWaalsContact O-N 3.16Å; Y579-N582 PolarHBondContact O-N 3.08Å; Y579-N583 HydrophobicContact CE1-CB 4.41Å; Y579-N583 HydrophobicContact CE2-CB 4.1Å; Y579-N583 PolarHBondContact O-N 3.28Å; Y579-H587 AromaticContact CE1-NE2 3.34Å; Y579-H587 VanDerWaalsContact CE1-NE2 3.34Å; Y579-H587 WeakPolarHBondContact CE1-NE2 3.32Å; Y579-H587 AromaticContact CZ-NE2 3.48Å; Y579-H587 PolarHBondContact OH-CE1 3.01Å; Y579-H587 VanDerWaalsContact OH-CE1 3.28Å; Y579-H587 PolarHBondContact OH-NE2 2.85Å |
| 580 | F | 89.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 179 | 174.2 | -95.4 | 0 | 0 | 0 | 111.1 | Y560 W568 L571 H577 I578 N582 N583 A584 F606 | Y560-F580 HydrophobicContact CD1-CB 4.31Å; Y560-F580 HydrophobicContact CD1-CD1 4.2Å; Y560-F580 AromaticContact CD1-CD2 3.5Å; Y560-F580 HydrophobicContact CD1-CD2 3.5Å; Y560-F580 VanDerWaalsContact CD1-CD2 3.5Å; Y560-F580 HydrophobicContact CD1-CE1 4.44Å; Y560-F580 AromaticContact CD1-CE2 3.8Å; Y560-F580 HydrophobicContact CD1-CE2 3.8Å; Y560-F580 AromaticContact CD1-CG 3.73Å; Y560-F580 HydrophobicContact CD1-CG 3.73Å; Y560-F580 HydrophobicContact CD1-CZ 4.27Å; Y560-F580 AromaticContact CD2-CD2 3.66Å; Y560-F580 HydrophobicContact CD2-CD2 3.66Å; Y560-F580 HydrophobicContact CD2-CE2 4.12Å; Y560-F580 HydrophobicContact CD2-CG 4.47Å; Y560-F580 HydrophobicContact CE1-CB 3.73Å; Y560-F580 HydrophobicContact CE1-CD1 4.28Å; Y560-F580 AromaticContact CE1-CD2 3.79Å; Y560-F580 HydrophobicContact CE1-CD2 3.79Å; Y560-F580 AromaticContact CE1-CG 3.65Å; Y560-F580 HydrophobicContact CE1-CG 3.65Å; Y560-F580 HydrophobicContact CE2-CB 4.31Å; Y560-F580 AromaticContact CE2-CD2 3.96Å; Y560-F580 HydrophobicContact CE2-CD2 3.96Å; Y560-F580 HydrophobicContact CE2-CG 4.43Å; Y560-F580 AromaticContact CG-CD2 3.44Å; Y560-F580 HydrophobicContact CG-CD2 3.44Å; Y560-F580 VanDerWaalsContact CG-CD2 3.44Å; Y560-F580 AromaticContact CG-CE2 3.57Å; Y560-F580 HydrophobicContact CG-CE2 3.57Å; Y560-F580 HydrophobicContact CG-CG 4.16Å; Y560-F580 HydrophobicContact CG-CZ 4.37Å; W568-F580 HydrophobicContact CE3-CE1 4.09Å; W568-F580 AromaticContact CE3-CZ 3.96Å; W568-F580 HydrophobicContact CE3-CZ 3.96Å; W568-F580 HydrophobicContact CH2-CZ 4.15Å; W568-F580 HydrophobicContact CZ3-CE1 4.08Å; W568-F580 HydrophobicContact CZ3-CE2 4.38Å; W568-F580 AromaticContact CZ3-CZ 3.48Å; W568-F580 HydrophobicContact CZ3-CZ 3.48Å; W568-F580 VanDerWaalsContact CZ3-CZ 3.48Å; L571-F580 HydrophobicContact CD1-CD1 3.52Å; L571-F580 HydrophobicContact CD1-CE1 3.49Å; L571-F580 VanDerWaalsContact CD1-CE1 3.49Å; L571-F580 HydrophobicContact CD1-CG 4.37Å; L571-F580 HydrophobicContact CD1-CZ 4.34Å; H577-F580 WeakPolarHBondContact O-CB 3.39Å; H577-F580 PolarHBondContact O-N 3.21Å; I578-F580 VanDerWaalsContact C-N 3.35Å; I578-F580 PolarHBondContact O-N 3.47Å; F580-N582 VanDerWaalsContact C-N 3.31Å; F580-N582 PolarHBondContact O-N 3.44Å; F580-N583 PolarHBondContact O-N 3.2Å; F580-A584 HydrophobicContact CD2-CB 3.96Å; F580-A584 HydrophobicContact CE1-CB 4.28Å; F580-A584 HydrophobicContact CE2-CB 3.68Å; F580-A584 HydrophobicContact CG-CB 4.36Å; F580-A584 HydrophobicContact CZ-CB 3.85Å; F580-A584 WeakPolarHBondContact O-CB 3.46Å; F580-A584 PolarHBondContact O-N 3.36Å; F580-F606 HydrophobicContact CE1-CD2 4.4Å; F580-F606 AromaticContact CE1-CE2 3.82Å; F580-F606 HydrophobicContact CE1-CE2 3.82Å; F580-F606 HydrophobicContact CZ-CE2 4.23Å |
| 581 | W | 87.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 177.9 | -70.6 | 117 | 0 | 0 | 0 | 112.1 | W568 L571 V572 H577 I578 F606 R610 V613 I614 | W568-W581 HydrophobicContact CB-CH2 4.44Å; L571-W581 HydrophobicContact CB-CZ2 3.65Å; L571-W581 PolarHBondContact O-NE1 2.82Å; L571-W581 VanDerWaalsContact O-NE1 3.13Å; V572-W581 HydrophobicContact CG2-CH2 4.17Å; V572-W581 HydrophobicContact CG2-CZ2 3.6Å; H577-W581 VanDerWaalsContact O-CD1 3.3Å; H577-W581 PolarHBondContact O-N 3.4Å; I578-W581 PolarHBondContact O-N 2.73Å; W581-F606 HydrophobicContact CE3-CD2 4.19Å; W581-F606 AromaticContact CE3-CE2 3.85Å; W581-F606 HydrophobicContact CE3-CE2 3.85Å; W581-F606 HydrophobicContact CE3-CZ 4.4Å; W581-F606 HydrophobicContact CH2-CD2 4.31Å; W581-F606 AromaticContact CZ3-CD2 3.49Å; W581-F606 HydrophobicContact CZ3-CD2 3.49Å; W581-F606 VanDerWaalsContact CZ3-CD2 3.49Å; W581-F606 AromaticContact CZ3-CE2 3.64Å; W581-F606 HydrophobicContact CZ3-CE2 3.64Å; W581-F606 HydrophobicContact CZ3-CG 4.18Å; W581-F606 HydrophobicContact CZ3-CZ 4.43Å; W581-F606 VanDerWaalsContact CZ3-O 3.31Å; W581-F606 WeakPolarHBondContact CZ3-O 3.31Å; W581-R610 HydrophobicContact CE3-CB 3.73Å; W581-R610 HydrophobicContact CE3-CG 4.02Å; W581-R610 HydrophobicContact CZ3-CB 3.95Å; W581-R610 PolarHBondContact O-NE 2.8Å; W581-R610 PolarHBondContact O-NH2 3.05Å; W581-V613 HydrophobicContact CB-CG1 4.25Å; W581-V613 HydrophobicContact CG-CB 4.24Å; W581-V613 HydrophobicContact CG-CG1 4.12Å; W581-V613 HydrophobicContact CG-CG2 4.45Å; W581-I614 HydrophobicContact CB-CD1 4.05Å; W581-I614 HydrophobicContact CB-CG1 4.12Å; W581-I614 VanDerWaalsContact O-CD1 3.31Å; W581-I614 WeakPolarHBondContact O-CD1 3.33Å |
| 582 | N | 85.8 | Confident | 83 | Confident | 69 Ų | 69 | 40.7 Ų | 40.7 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67 | -58.3 | 174.1 | -70.5 | 1.2 | 0 | 0 | 0 | 111.4 | I578 Y579 F580 R610 I614 | I578-N582 PolarHBondContact O-N 3.09Å; Y579-N582 PolarHBondContact O-N 3.08Å; F580-N582 VanDerWaalsContact C-N 3.31Å; F580-N582 PolarHBondContact O-N 3.44Å; N582-R610 PolarHBondContact O-NH2 3.3Å; N582-I614 WeakPolarHBondContact OD1-CD1 3.43Å |
| 583 | N | 88.7 | Confident | 83.8 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -100.2 | -0.3 | -160.1 | -67.2 | 38.1 | 0 | 0 | 0 | 115.4 | Y579 F580 T585 E586 H587 | Y579-N583 HydrophobicContact CE1-CB 4.41Å; Y579-N583 HydrophobicContact CE2-CB 4.1Å; Y579-N583 PolarHBondContact O-N 3.28Å; F580-N583 PolarHBondContact O-N 3.2Å; N583-T585 VanDerWaalsContact C-N 3.26Å; N583-T585 PolarHBondContact O-N 2.97Å; N583-E586 WeakPolarHBondContact O-CB 3.49Å; N583-E586 PolarHBondContact O-N 2.99Å; N583-E586 VanDerWaalsContact O-N 3.08Å; N583-H587 PolarHBondContact O-CD2 3.48Å; N583-H587 PolarHBondContact O-N 3.01Å |
| 584 | A | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -35.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F580 L588 L600 F606 | F580-A584 HydrophobicContact CD2-CB 3.96Å; F580-A584 HydrophobicContact CE1-CB 4.28Å; F580-A584 HydrophobicContact CE2-CB 3.68Å; F580-A584 HydrophobicContact CG-CB 4.36Å; F580-A584 HydrophobicContact CZ-CB 3.85Å; F580-A584 WeakPolarHBondContact O-CB 3.46Å; F580-A584 PolarHBondContact O-N 3.36Å; A584-L588 PolarHBondContact O-N 3.02Å; A584-L600 HydrophobicContact CB-CD2 4.11Å; A584-F606 HydrophobicContact CB-CE2 4.35Å; A584-F606 HydrophobicContact CB-CZ 4.19Å |
| 585 | T | 90 | Very high | 86.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -42.1 | 175.6 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | N583 L588 F589 L597 L601 R610 D622 Y626 | N583-T585 VanDerWaalsContact C-N 3.26Å; N583-T585 PolarHBondContact O-N 2.97Å; T585-L588 PolarHBondContact O-N 3.1Å; T585-F589 PolarHBondContact O-N 2.88Å; T585-L597 HydrophobicContact CG2-CD1 3.81Å; T585-L601 HydrophobicContact CG2-CD2 3.77Å; T585-L601 HydrophobicContact CG2-CG 4.16Å; T585-R610 PolarHBondContact OG1-NH2 3.18Å; T585-D622 WeakPolarHBondContact CB-OD2 3.4Å; T585-D622 WeakPolarHBondContact CG2-OD2 3.29Å; T585-D622 PolarHBondContact OG1-OD2 2.98Å; T585-Y626 HydrophobicContact CG2-CE2 4.41Å |
| 586 | E | 87.9 | Confident | 87.6 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 174 | -176.2 | 100.8 | -146.2 | 0 | 0 | 112 | N583 L588 F589 K590 R625 Y626 | N583-E586 WeakPolarHBondContact O-CB 3.49Å; N583-E586 PolarHBondContact O-N 2.99Å; N583-E586 VanDerWaalsContact O-N 3.08Å; E586-L588 PolarHBondContact O-N 2.69Å; E586-F589 PolarHBondContact O-N 3.34Å; E586-K590 HydrophobicContact CG-CD 4.1Å; E586-K590 WeakPolarHBondContact O-CB 3.42Å; E586-K590 PolarHBondContact O-N 3.08Å; E586-K590 WeakPolarHBondContact OE1-CE 3.41Å; E586-K590 IonicContact OE1-NZ 2.71Å; E586-K590 PolarHBondContact OE1-NZ 3.36Å; E586-R625 VanDerWaalsContact CD-NH2 3.28Å; E586-R625 IonicContact OE1-NH2 3.44Å; E586-R625 PolarHBondContact OE1-NH2 3.15Å; E586-R625 VanDerWaalsContact OE1-NH2 3.15Å; E586-R625 IonicContact OE2-CZ 2.77Å; E586-R625 IonicContact OE2-NH1 2.73Å; E586-R625 PolarHBondContact OE2-NH1 2.92Å; E586-R625 IonicContact OE2-NH2 3.87Å; E586-R625 PolarHBondContact OE2-NH2 3.07Å; E586-Y626 WeakPolarHBondContact CA-OH 3.37Å; E586-Y626 PolarHBondContact N-OH 3.11Å |
| 587 | H | 92 | Very high | 88.6 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | 175.6 | -68.5 | -85.6 | 0 | 0 | 0 | 112.4 | H553 F556 I557 Y579 N583 F589 A591 | H553-H587 AromaticContact CE1-ND1 3.53Å; H553-H587 AromaticContact CG-ND1 3.98Å; H553-H587 AromaticContact ND1-CG 3.62Å; H553-H587 AromaticContact ND1-ND1 2.96Å; H553-H587 PolarHBondContact ND1-ND1 2.97Å; F556-H587 AromaticContact CD1-CD2 3.86Å; F556-H587 AromaticContact CD1-CE1 3.66Å; F556-H587 AromaticContact CD1-CG 3.94Å; F556-H587 AromaticContact CD1-ND1 3.78Å; F556-H587 AromaticContact CD1-NE2 3.68Å; F556-H587 AromaticContact CE1-CD2 3.72Å; F556-H587 AromaticContact CE1-CE1 3.65Å; F556-H587 AromaticContact CE1-NE2 3.29Å; F556-H587 VanDerWaalsContact CE1-NE2 3.29Å; F556-H587 WeakPolarHBondContact CE1-NE2 3.48Å; I557-H587 HydrophobicContact CD1-CB 3.46Å; I557-H587 VanDerWaalsContact CD1-CB 3.46Å; I557-H587 HydrophobicContact CG1-CB 3.93Å; Y579-H587 AromaticContact CE1-NE2 3.34Å; Y579-H587 VanDerWaalsContact CE1-NE2 3.34Å; Y579-H587 WeakPolarHBondContact CE1-NE2 3.32Å; Y579-H587 AromaticContact CZ-NE2 3.48Å; Y579-H587 PolarHBondContact OH-CE1 3.01Å; Y579-H587 VanDerWaalsContact OH-CE1 3.28Å; Y579-H587 PolarHBondContact OH-NE2 2.85Å; N583-H587 PolarHBondContact O-CD2 3.48Å; N583-H587 PolarHBondContact O-N 3.01Å; H587-F589 VanDerWaalsContact C-N 3.34Å; H587-A591 WeakPolarHBondContact O-CB 3.49Å; H587-A591 PolarHBondContact O-N 3.45Å |
| 588 | L | 91.5 | Very high | 89 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 178 | -82.5 | 169.2 | 0 | 0 | 0 | 111.6 | I557 A584 T585 E586 A591 A592 Q593 K596 L597 L600 | I557-L588 HydrophobicContact CD1-CB 4.25Å; I557-L588 HydrophobicContact CD1-CD2 3.67Å; I557-L588 HydrophobicContact CD1-CG 3.53Å; I557-L588 HydrophobicContact CG1-CG 4.42Å; I557-L588 HydrophobicContact CG2-CD2 4.22Å; I557-L588 HydrophobicContact CG2-CG 4.42Å; A584-L588 PolarHBondContact O-N 3.02Å; T585-L588 PolarHBondContact O-N 3.1Å; E586-L588 PolarHBondContact O-N 2.69Å; L588-A591 PolarHBondContact O-N 3.22Å; L588-A592 PolarHBondContact O-N 3.05Å; L588-Q593 HydrophobicContact CD2-CB 4.03Å; L588-Q593 PolarHBondContact O-N 2.71Å; L588-K596 HydrophobicContact CD2-CB 3.81Å; L588-L597 HydrophobicContact CB-CB 3.96Å; L588-L597 HydrophobicContact CB-CD1 4.14Å; L588-L597 HydrophobicContact CD1-CB 4.47Å; L588-L600 HydrophobicContact CD1-CB 3.95Å; L588-L600 HydrophobicContact CD1-CD2 3.55Å; L588-L600 HydrophobicContact CD1-CG 4.37Å |
| 589 | F | 90.7 | Very high | 89.3 | Confident | 89 Ų | 89 | 38.4 Ų | 38.4 | 39% | 0.39 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -51.7 | 172.8 | -171.9 | -101.9 | 0 | 0 | 0 | 111.8 | T585 E586 H587 A591 A592 L594 L597 Y626 V629 | T585-F589 PolarHBondContact O-N 2.88Å; E586-F589 PolarHBondContact O-N 3.34Å; H587-F589 VanDerWaalsContact C-N 3.34Å; F589-A591 PolarHBondContact O-N 3.24Å; F589-A592 PolarHBondContact O-N 3.44Å; F589-L594 HydrophobicContact CD2-CD2 4.25Å; F589-L597 HydrophobicContact CB-CD2 4.16Å; F589-L597 HydrophobicContact CD2-CD2 4.23Å; F589-Y626 HydrophobicContact CB-CE1 3.84Å; F589-Y626 AromaticContact CD2-CD1 3.99Å; F589-Y626 HydrophobicContact CD2-CD1 3.99Å; F589-Y626 AromaticContact CD2-CE1 3.76Å; F589-Y626 HydrophobicContact CD2-CE1 3.76Å; F589-Y626 HydrophobicContact CE2-CE1 4.46Å; F589-Y626 HydrophobicContact CG-CD1 4.48Å; F589-Y626 AromaticContact CG-CE1 3.79Å; F589-Y626 HydrophobicContact CG-CE1 3.79Å; F589-V629 HydrophobicContact CD2-CG2 4.23Å; F589-V629 HydrophobicContact CE2-CG2 4.07Å |
| 590 | K | 88.2 | Confident | 89.5 | Confident | 76 Ų | 76 | 37.8 Ų | 37.8 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.8 | -19.8 | 176.2 | -75.8 | 172.3 | 168.5 | 143.6 | 0 | 113.7 | E483 E586 A592 | E483-K590 IonicContact OE1-NZ 3.71Å; E483-K590 PolarHBondContact OE1-NZ 2.87Å; E586-K590 HydrophobicContact CG-CD 4.1Å; E586-K590 WeakPolarHBondContact O-CB 3.42Å; E586-K590 PolarHBondContact O-N 3.08Å; E586-K590 WeakPolarHBondContact OE1-CE 3.41Å; E586-K590 IonicContact OE1-NZ 2.71Å; E586-K590 PolarHBondContact OE1-NZ 3.36Å; K590-A592 VanDerWaalsContact C-N 3.33Å |
| 591 | A | 90 | Very high | 89.5 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H553 A554 H587 L588 F589 Q593 | H553-A591 HydrophobicContact CB-CB 3.84Å; A554-A591 HydrophobicContact CB-CB 4.12Å; H587-A591 WeakPolarHBondContact O-CB 3.49Å; H587-A591 PolarHBondContact O-N 3.45Å; L588-A591 PolarHBondContact O-N 3.22Å; F589-A591 PolarHBondContact O-N 3.24Å; A591-Q593 HydrophobicContact CB-CB 4.46Å; A591-Q593 HydrophobicContact CB-CG 4.07Å; A591-Q593 WeakPolarHBondContact O-CG 3.17Å; A591-Q593 PolarHBondContact O-N 3.21Å |
| 592 | A | 87.7 | Confident | 89.5 | Confident | 78 Ų | 78 | 38.8 Ų | 38.8 | 65% | 0.645 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 23.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L588 F589 K590 L594 | L588-A592 PolarHBondContact O-N 3.05Å; F589-A592 PolarHBondContact O-N 3.44Å; K590-A592 VanDerWaalsContact C-N 3.33Å; A592-L594 VanDerWaalsContact C-N 3.34Å; A592-L594 PolarHBondContact O-N 3.4Å |
| 593 | Q | 89.1 | Confident | 89.6 | Confident | 56 Ų | 56 | 38.3 Ų | 38.3 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | trans | -94.8 | 64.1 | -178.4 | -62.7 | -166.8 | -1.1 | 0 | 0 | 111 | L588 A591 D595 K596 L597 | L588-Q593 HydrophobicContact CD2-CB 4.03Å; L588-Q593 PolarHBondContact O-N 2.71Å; A591-Q593 HydrophobicContact CB-CB 4.46Å; A591-Q593 HydrophobicContact CB-CG 4.07Å; A591-Q593 WeakPolarHBondContact O-CG 3.17Å; A591-Q593 PolarHBondContact O-N 3.21Å; Q593-D595 PolarHBondContact O-N 3.47Å; Q593-K596 HydrophobicContact CB-CB 4.42Å; Q593-K596 HydrophobicContact CB-CD 4.31Å; Q593-K596 PolarHBondContact O-N 3.11Å; Q593-L597 PolarHBondContact O-N 2.87Å; Q593-L597 VanDerWaalsContact O-N 3.09Å | ||
| 594 | L | 90.1 | Very high | 89.5 | Confident | 51 Ų | 51 | 41.2 Ų | 41.2 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.5 | -40.6 | -169.9 | -58.5 | -175.4 | 0 | 0 | 0 | 113.6 | F589 A592 K596 L597 V598 V629 L633 | F589-L594 HydrophobicContact CD2-CD2 4.25Å; A592-L594 VanDerWaalsContact C-N 3.34Å; A592-L594 PolarHBondContact O-N 3.4Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 3.39Å; L594-L597 WeakPolarHBondContact O-CB 3.27Å; L594-L597 PolarHBondContact O-N 2.98Å; L594-V598 PolarHBondContact O-N 3.47Å; L594-V629 HydrophobicContact CB-CG1 3.79Å; L594-V629 HydrophobicContact CD1-CG1 4.37Å; L594-V629 HydrophobicContact CD2-CG1 3.87Å; L594-V629 HydrophobicContact CD2-CG2 4.34Å; L594-V629 HydrophobicContact CG-CG1 4.2Å; L594-L633 HydrophobicContact CB-CD1 4.02Å; L594-L633 HydrophobicContact CB-CD2 4.48Å; L594-L633 WeakPolarHBondContact O-CD1 3.47Å |
| 595 | D | 89.2 | Confident | 89.3 | Confident | 94 Ų | 94 | 44.4 Ų | 44.4 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.8 | -56.9 | -69.9 | 0 | 0 | 0 | 111.5 | Q593 L597 V598 D599 L633 | Q593-D595 PolarHBondContact O-N 3.47Å; D595-L597 VanDerWaalsContact C-N 3.28Å; D595-L597 PolarHBondContact O-N 2.86Å; D595-V598 PolarHBondContact O-N 2.92Å; D595-V598 VanDerWaalsContact O-N 3.16Å; D595-D599 PolarHBondContact O-N 2.72Å; D595-L633 WeakPolarHBondContact OD1-CD2 3.37Å |
| 596 | K | 90.2 | Very high | 89.2 | Confident | 114 Ų | 114 | 44.4 Ų | 44.4 | 50% | 0.496 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -28.3 | 179.1 | -60.2 | -175.9 | -164 | 170.1 | 0 | 112.5 | L588 Q593 L594 L600 | L588-K596 HydrophobicContact CD2-CB 3.81Å; Q593-K596 HydrophobicContact CB-CB 4.42Å; Q593-K596 HydrophobicContact CB-CD 4.31Å; Q593-K596 PolarHBondContact O-N 3.11Å; L594-K596 VanDerWaalsContact C-N 3.34Å; L594-K596 PolarHBondContact O-N 3.39Å; K596-L600 VanDerWaalsContact O-CB 3.24Å; K596-L600 WeakPolarHBondContact O-CB 3.42Å; K596-L600 PolarHBondContact O-N 3.46Å |
| 597 | L | 91.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 172.3 | 176.1 | 56.4 | 0 | 0 | 0 | 110.8 | T585 L588 F589 Q593 L594 D595 L600 L601 Y626 V629 | T585-L597 HydrophobicContact CG2-CD1 3.81Å; L588-L597 HydrophobicContact CB-CB 3.96Å; L588-L597 HydrophobicContact CB-CD1 4.14Å; L588-L597 HydrophobicContact CD1-CB 4.47Å; F589-L597 HydrophobicContact CB-CD2 4.16Å; F589-L597 HydrophobicContact CD2-CD2 4.23Å; Q593-L597 PolarHBondContact O-N 2.87Å; Q593-L597 VanDerWaalsContact O-N 3.09Å; L594-L597 WeakPolarHBondContact O-CB 3.27Å; L594-L597 PolarHBondContact O-N 2.98Å; D595-L597 VanDerWaalsContact C-N 3.28Å; D595-L597 PolarHBondContact O-N 2.86Å; L597-L600 PolarHBondContact O-N 3.38Å; L597-L601 HydrophobicContact CD1-CD1 4.09Å; L597-L601 HydrophobicContact CD1-CG 4.37Å; L597-L601 HydrophobicContact CG-CD1 4.26Å; L597-L601 WeakPolarHBondContact O-CB 3.34Å; L597-L601 WeakPolarHBondContact O-CG 3.32Å; L597-L601 PolarHBondContact O-N 2.73Å; L597-Y626 HydrophobicContact CD2-CD1 3.69Å; L597-Y626 HydrophobicContact CD2-CE1 4.03Å; L597-Y626 HydrophobicContact CD2-CG 4.02Å; L597-V629 HydrophobicContact CD2-CG1 4.36Å; L597-V629 HydrophobicContact CD2-CG2 4.4Å |
| 598 | V | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.2 | -43.5 | 177.2 | 174.7 | 0 | 0 | 0 | 0 | 111 | L594 D595 L600 L601 I602 V629 F630 L633 R635 | L594-V598 PolarHBondContact O-N 3.47Å; D595-V598 PolarHBondContact O-N 2.92Å; D595-V598 VanDerWaalsContact O-N 3.16Å; V598-L600 VanDerWaalsContact C-N 3.3Å; V598-L600 PolarHBondContact O-N 3.38Å; V598-L601 PolarHBondContact O-N 2.85Å; V598-I602 HydrophobicContact CG1-CD1 3.59Å; V598-I602 HydrophobicContact CG1-CG1 4.44Å; V598-I602 WeakPolarHBondContact O-CB 3.44Å; V598-I602 WeakPolarHBondContact O-CG1 3.48Å; V598-I602 PolarHBondContact O-N 2.8Å; V598-V629 HydrophobicContact CG2-CG1 4.16Å; V598-F630 HydrophobicContact CB-CE1 4.42Å; V598-F630 HydrophobicContact CG1-CD1 3.75Å; V598-F630 HydrophobicContact CG1-CE1 3.62Å; V598-F630 HydrophobicContact CG1-CZ 4.35Å; V598-F630 HydrophobicContact CG2-CD1 4.09Å; V598-F630 HydrophobicContact CG2-CD2 4.36Å; V598-F630 HydrophobicContact CG2-CE1 4.24Å; V598-F630 HydrophobicContact CG2-CE2 4.46Å; V598-F630 HydrophobicContact CG2-CG 4.17Å; V598-F630 HydrophobicContact CG2-CZ 4.41Å; V598-L633 HydrophobicContact CB-CD1 4.42Å; V598-L633 HydrophobicContact CG2-CD1 3.89Å; V598-R635 HydrophobicContact CG1-CB 4.33Å; V598-R635 VanDerWaalsContact CG1-CZ 3.48Å |
| 599 | D | 90.3 | Very high | 88.4 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.1 | -37.9 | 175.1 | -67.6 | -24.9 | 0 | 0 | 0 | 112.7 | D595 N603 R635 | D595-D599 PolarHBondContact O-N 2.72Å; D599-N603 WeakPolarHBondContact O-CB 3.26Å; D599-N603 PolarHBondContact O-N 2.84Å; D599-R635 IonicContact OD1-CZ 2.83Å; D599-R635 IonicContact OD1-NH1 2.73Å; D599-R635 PolarHBondContact OD1-NH1 2.62Å; D599-R635 IonicContact OD1-NH2 3Å; D599-R635 PolarHBondContact OD1-NH2 2.91Å |
| 600 | L | 90 | Very high | 88.2 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70 | -42 | 176.2 | -172.4 | 68.3 | 0 | 0 | 0 | 111.7 | W568 A584 L588 K596 L597 V598 I602 N603 F606 | W568-L600 HydrophobicContact CD2-CD1 4.47Å; W568-L600 HydrophobicContact CH2-CD1 4.35Å; W568-L600 HydrophobicContact CZ2-CD1 3.63Å; A584-L600 HydrophobicContact CB-CD2 4.11Å; L588-L600 HydrophobicContact CD1-CB 3.95Å; L588-L600 HydrophobicContact CD1-CD2 3.55Å; L588-L600 HydrophobicContact CD1-CG 4.37Å; K596-L600 VanDerWaalsContact O-CB 3.24Å; K596-L600 WeakPolarHBondContact O-CB 3.42Å; K596-L600 PolarHBondContact O-N 3.46Å; L597-L600 PolarHBondContact O-N 3.38Å; V598-L600 VanDerWaalsContact C-N 3.3Å; V598-L600 PolarHBondContact O-N 3.38Å; L600-I602 PolarHBondContact O-N 3.06Å; L600-N603 WeakPolarHBondContact O-CB 3.21Å; L600-N603 PolarHBondContact O-N 3.17Å; L600-F606 HydrophobicContact CD1-CB 4.06Å; L600-F606 HydrophobicContact CD1-CD1 4Å; L600-F606 HydrophobicContact CD1-CD2 3.6Å; L600-F606 HydrophobicContact CD1-CE1 4.33Å; L600-F606 HydrophobicContact CD1-CE2 3.98Å; L600-F606 HydrophobicContact CD1-CG 3.61Å; L600-F606 HydrophobicContact CD1-CZ 4.33Å; L600-F606 HydrophobicContact CD2-CD2 4.44Å; L600-F606 HydrophobicContact CD2-CE1 4.03Å; L600-F606 HydrophobicContact CD2-CE2 3.98Å; L600-F606 HydrophobicContact CD2-CZ 3.76Å; L600-F606 HydrophobicContact CG-CD1 3.77Å; L600-F606 HydrophobicContact CG-CD2 4.09Å; L600-F606 HydrophobicContact CG-CE1 3.75Å; L600-F606 HydrophobicContact CG-CE2 4.09Å; L600-F606 HydrophobicContact CG-CG 3.94Å; L600-F606 HydrophobicContact CG-CZ 3.92Å; L600-F606 WeakPolarHBondContact O-CD1 3.38Å |
| 601 | L | 89.3 | Confident | 88.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -27.4 | 176.7 | -77.5 | 170.9 | 0 | 0 | 0 | 113 | T585 L597 V598 L607 F623 Y626 F630 | T585-L601 HydrophobicContact CG2-CD2 3.77Å; T585-L601 HydrophobicContact CG2-CG 4.16Å; L597-L601 HydrophobicContact CD1-CD1 4.09Å; L597-L601 HydrophobicContact CD1-CG 4.37Å; L597-L601 HydrophobicContact CG-CD1 4.26Å; L597-L601 WeakPolarHBondContact O-CB 3.34Å; L597-L601 WeakPolarHBondContact O-CG 3.32Å; L597-L601 PolarHBondContact O-N 2.73Å; V598-L601 PolarHBondContact O-N 2.85Å; L601-L607 VanDerWaalsContact O-CD1 3.31Å; L601-L607 WeakPolarHBondContact O-CD1 3.3Å; L601-L607 WeakPolarHBondContact O-CD2 3.21Å; L601-L607 WeakPolarHBondContact O-CG 3.43Å; L601-F623 HydrophobicContact CB-CE2 4.39Å; L601-F623 HydrophobicContact CB-CZ 4.2Å; L601-F623 HydrophobicContact CD2-CD2 4.3Å; L601-F623 HydrophobicContact CD2-CE2 3.98Å; L601-F623 WeakPolarHBondContact O-CZ 3.38Å; L601-Y626 HydrophobicContact CD1-CD2 4.25Å; L601-F630 HydrophobicContact CB-CZ 4.05Å; L601-F630 HydrophobicContact CD1-CE2 3.71Å; L601-F630 HydrophobicContact CD1-CZ 3.81Å |
| 602 | I | 88.6 | Confident | 87.6 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -89.4 | -18.4 | 178.4 | -73.2 | 173.3 | 0 | 0 | 0 | 112.2 | V598 L600 L604 F630 E638 Y642 | V598-I602 HydrophobicContact CG1-CD1 3.59Å; V598-I602 HydrophobicContact CG1-CG1 4.44Å; V598-I602 WeakPolarHBondContact O-CB 3.44Å; V598-I602 WeakPolarHBondContact O-CG1 3.48Å; V598-I602 PolarHBondContact O-N 2.8Å; L600-I602 PolarHBondContact O-N 3.06Å; I602-L604 PolarHBondContact O-N 3.09Å; I602-F630 HydrophobicContact CD1-CE1 4.19Å; I602-F630 HydrophobicContact CG1-CE1 4.38Å; I602-E638 HydrophobicContact CD1-CB 3.61Å; I602-E638 HydrophobicContact CD1-CG 4.25Å; I602-E638 WeakPolarHBondContact CD1-OE2 3.37Å; I602-Y642 HydrophobicContact CB-CE2 4.42Å; I602-Y642 HydrophobicContact CG1-CD2 4.2Å; I602-Y642 HydrophobicContact CG1-CE2 4.31Å; I602-Y642 HydrophobicContact CG1-CG 4.49Å; I602-Y642 HydrophobicContact CG2-CD2 4.49Å; I602-Y642 HydrophobicContact CG2-CE1 4.38Å; I602-Y642 HydrophobicContact CG2-CE2 3.77Å; I602-Y642 WeakPolarHBondContact O-CE1 3.48Å; I602-Y642 PolarHBondContact O-OH 3.26Å |
| 603 | N | 88.1 | Confident | 87.2 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 31% | 0.31 | 22% | 0.218 | S | C | . | . | trans | -65.4 | 109.2 | -178.7 | -173.4 | -61.5 | 0 | 0 | 0 | 111.7 | D599 L600 D605 F606 L607 | D599-N603 WeakPolarHBondContact O-CB 3.26Å; D599-N603 PolarHBondContact O-N 2.84Å; L600-N603 WeakPolarHBondContact O-CB 3.21Å; L600-N603 PolarHBondContact O-N 3.17Å; N603-D605 VanDerWaalsContact C-N 3.3Å; N603-D605 PolarHBondContact O-N 3.33Å; N603-D605 WeakPolarHBondContact OD1-CB 3.31Å; N603-D605 PolarHBondContact OD1-N 2.83Å; N603-D605 VanDerWaalsContact OD1-N 3.12Å; N603-F606 HydrophobicContact CB-CB 3.96Å; N603-F606 WeakPolarHBondContact O-CB 3.42Å; N603-F606 PolarHBondContact O-N 3Å; N603-F606 VanDerWaalsContact O-N 3.09Å; N603-F606 PolarHBondContact OD1-N 2.91Å; N603-L607 PolarHBondContact O-N 3.17Å | ||
| 604 | L | 85.5 | Confident | 86.8 | Confident | 89 Ų | 89 | 44.5 Ų | 44.5 | 47% | 0.466 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.5 | -32.5 | -177.2 | -72.4 | 169.9 | 0 | 0 | 0 | 114 | I602 R608 Y642 F645 | I602-L604 PolarHBondContact O-N 3.09Å; L604-R608 WeakPolarHBondContact O-CB 3.31Å; L604-R608 PolarHBondContact O-N 2.85Å; L604-Y642 HydrophobicContact CD2-CE1 3.69Å; L604-Y642 HydrophobicContact CG-CE1 4.13Å; L604-F645 HydrophobicContact CD2-CE1 3.76Å; L604-F645 HydrophobicContact CD2-CZ 4.05Å |
| 605 | D | 84.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 43.1 Ų | 43.1 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 175.4 | -95.8 | 6 | 0 | 0 | 0 | 111.4 | L569 N603 G609 | L569-D605 HydrophobicContact CD1-CB 4.35Å; L569-D605 VanDerWaalsContact CD1-OD1 3.23Å; L569-D605 WeakPolarHBondContact CD1-OD1 3.27Å; L569-D605 VanDerWaalsContact CD2-O 3.32Å; L569-D605 WeakPolarHBondContact CD2-O 3.5Å; L569-D605 HydrophobicContact CG-CB 4.08Å; N603-D605 VanDerWaalsContact C-N 3.3Å; N603-D605 PolarHBondContact O-N 3.33Å; N603-D605 WeakPolarHBondContact OD1-CB 3.31Å; N603-D605 PolarHBondContact OD1-N 2.83Å; N603-D605 VanDerWaalsContact OD1-N 3.12Å; D605-G609 PolarHBondContact O-N 3.37Å; D605-G609 VanDerWaalsContact O-N 3.15Å |
| 606 | F | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -50.5 | 172.8 | 179.8 | -102.1 | 0 | 0 | 0 | 111.1 | W568 F580 W581 A584 L600 N603 R608 G609 R610 | W568-F606 HydrophobicContact CB-CB 4.31Å; W568-F606 HydrophobicContact CD2-CD2 4.34Å; W568-F606 HydrophobicContact CG-CB 4.04Å; W568-F606 HydrophobicContact CG-CD2 4.28Å; F580-F606 HydrophobicContact CE1-CD2 4.4Å; F580-F606 AromaticContact CE1-CE2 3.82Å; F580-F606 HydrophobicContact CE1-CE2 3.82Å; F580-F606 HydrophobicContact CZ-CE2 4.23Å; W581-F606 HydrophobicContact CE3-CD2 4.19Å; W581-F606 AromaticContact CE3-CE2 3.85Å; W581-F606 HydrophobicContact CE3-CE2 3.85Å; W581-F606 HydrophobicContact CE3-CZ 4.4Å; W581-F606 HydrophobicContact CH2-CD2 4.31Å; W581-F606 AromaticContact CZ3-CD2 3.49Å; W581-F606 HydrophobicContact CZ3-CD2 3.49Å; W581-F606 VanDerWaalsContact CZ3-CD2 3.49Å; W581-F606 AromaticContact CZ3-CE2 3.64Å; W581-F606 HydrophobicContact CZ3-CE2 3.64Å; W581-F606 HydrophobicContact CZ3-CG 4.18Å; W581-F606 HydrophobicContact CZ3-CZ 4.43Å; W581-F606 VanDerWaalsContact CZ3-O 3.31Å; W581-F606 WeakPolarHBondContact CZ3-O 3.31Å; A584-F606 HydrophobicContact CB-CE2 4.35Å; A584-F606 HydrophobicContact CB-CZ 4.19Å; L600-F606 HydrophobicContact CD1-CB 4.06Å; L600-F606 HydrophobicContact CD1-CD1 4Å; L600-F606 HydrophobicContact CD1-CD2 3.6Å; L600-F606 HydrophobicContact CD1-CE1 4.33Å; L600-F606 HydrophobicContact CD1-CE2 3.98Å; L600-F606 HydrophobicContact CD1-CG 3.61Å; L600-F606 HydrophobicContact CD1-CZ 4.33Å; L600-F606 HydrophobicContact CD2-CD2 4.44Å; L600-F606 HydrophobicContact CD2-CE1 4.03Å; L600-F606 HydrophobicContact CD2-CE2 3.98Å; L600-F606 HydrophobicContact CD2-CZ 3.76Å; L600-F606 HydrophobicContact CG-CD1 3.77Å; L600-F606 HydrophobicContact CG-CD2 4.09Å; L600-F606 HydrophobicContact CG-CE1 3.75Å; L600-F606 HydrophobicContact CG-CE2 4.09Å; L600-F606 HydrophobicContact CG-CG 3.94Å; L600-F606 HydrophobicContact CG-CZ 3.92Å; L600-F606 WeakPolarHBondContact O-CD1 3.38Å; N603-F606 HydrophobicContact CB-CB 3.96Å; N603-F606 WeakPolarHBondContact O-CB 3.42Å; N603-F606 PolarHBondContact O-N 3Å; N603-F606 VanDerWaalsContact O-N 3.09Å; N603-F606 PolarHBondContact OD1-N 2.91Å; F606-R608 VanDerWaalsContact C-N 3.34Å; F606-R608 PolarHBondContact O-N 2.94Å; F606-G609 PolarHBondContact O-N 3.03Å; F606-G609 VanDerWaalsContact O-N 3.16Å; F606-R610 WeakPolarHBondContact O-CB 3.46Å; F606-R610 PolarHBondContact O-N 2.9Å |
| 607 | L | 87.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.9 | -45.2 | 177.4 | -76.2 | 176.4 | 0 | 0 | 0 | 112.3 | L601 N603 G609 R610 L611 V619 F623 Y642 I646 | L601-L607 VanDerWaalsContact O-CD1 3.31Å; L601-L607 WeakPolarHBondContact O-CD1 3.3Å; L601-L607 WeakPolarHBondContact O-CD2 3.21Å; L601-L607 WeakPolarHBondContact O-CG 3.43Å; N603-L607 PolarHBondContact O-N 3.17Å; L607-G609 VanDerWaalsContact C-N 3.33Å; L607-G609 PolarHBondContact O-N 2.95Å; L607-R610 PolarHBondContact O-N 3.06Å; L607-L611 VanDerWaalsContact O-CB 3.29Å; L607-L611 WeakPolarHBondContact O-CB 3.39Å; L607-L611 VanDerWaalsContact O-CG 3.26Å; L607-L611 WeakPolarHBondContact O-CG 3.47Å; L607-L611 PolarHBondContact O-N 2.91Å; L607-V619 HydrophobicContact CD2-CG1 4.04Å; L607-F623 HydrophobicContact CD2-CE2 4.12Å; L607-Y642 HydrophobicContact CD1-CD1 3.51Å; L607-Y642 HydrophobicContact CD1-CE1 3.78Å; L607-I646 HydrophobicContact CD1-CD1 4.47Å; L607-I646 HydrophobicContact CD2-CD1 4.15Å |
| 608 | R | 84.1 | Confident | 84.9 | Confident | 116 Ų | 116 | 42.7 Ų | 42.7 | 44% | 0.438 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 177.6 | -179.3 | 179.2 | -177.7 | -161.6 | 2.9 | 112.1 | L569 L604 F606 K612 I653 | L569-R608 HydrophobicContact CD2-CB 4.21Å; L569-R608 HydrophobicContact CD2-CG 4.11Å; L604-R608 WeakPolarHBondContact O-CB 3.31Å; L604-R608 PolarHBondContact O-N 2.85Å; F606-R608 VanDerWaalsContact C-N 3.34Å; F606-R608 PolarHBondContact O-N 2.94Å; R608-K612 WeakPolarHBondContact O-CB 3.28Å; R608-K612 PolarHBondContact O-N 3.25Å; R608-I653 HydrophobicContact CB-CG2 4.11Å; R608-I653 HydrophobicContact CG-CG2 4.03Å |
| 609 | G | 82.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -46 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V572 D605 F606 L607 K612 V613 | V572-G609 VanDerWaalsContact CG2-CA 3.44Å; D605-G609 PolarHBondContact O-N 3.37Å; D605-G609 VanDerWaalsContact O-N 3.15Å; F606-G609 PolarHBondContact O-N 3.03Å; F606-G609 VanDerWaalsContact O-N 3.16Å; L607-G609 VanDerWaalsContact C-N 3.33Å; L607-G609 PolarHBondContact O-N 2.95Å; G609-K612 PolarHBondContact O-N 2.91Å; G609-V613 WeakPolarHBondContact O-CG2 3.46Å; G609-V613 PolarHBondContact O-N 2.84Å |
| 610 | R | 87.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -46.4 | -177.8 | -158.3 | 175.2 | -166.6 | -150.4 | 2.1 | 112.3 | W581 N582 T585 F606 L607 K612 V613 I614 V619 D622 | W581-R610 HydrophobicContact CE3-CB 3.73Å; W581-R610 HydrophobicContact CE3-CG 4.02Å; W581-R610 HydrophobicContact CZ3-CB 3.95Å; W581-R610 PolarHBondContact O-NE 2.8Å; W581-R610 PolarHBondContact O-NH2 3.05Å; N582-R610 PolarHBondContact O-NH2 3.3Å; T585-R610 PolarHBondContact OG1-NH2 3.18Å; F606-R610 WeakPolarHBondContact O-CB 3.46Å; F606-R610 PolarHBondContact O-N 2.9Å; L607-R610 PolarHBondContact O-N 3.06Å; R610-K612 VanDerWaalsContact C-N 3.27Å; R610-K612 PolarHBondContact O-N 3.14Å; R610-V613 PolarHBondContact O-N 2.95Å; R610-I614 HydrophobicContact CG-CD1 3.49Å; R610-I614 VanDerWaalsContact CG-CD1 3.49Å; R610-I614 HydrophobicContact CG-CG1 4.13Å; R610-I614 WeakPolarHBondContact O-CG1 3.37Å; R610-I614 PolarHBondContact O-N 3.25Å; R610-V619 HydrophobicContact CG-CG2 4.05Å; R610-D622 IonicContact CZ-OD2 3.38Å; R610-D622 IonicContact NH1-OD2 3.59Å; R610-D622 PolarHBondContact NH1-OD2 3.28Å; R610-D622 IonicContact NH2-OD2 3.83Å; R610-D622 PolarHBondContact NH2-OD2 2.93Å |
| 611 | L | 85.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -36.5 | 174.9 | -72.9 | 170.9 | 0 | 0 | 0 | 112 | L607 G615 T616 V619 I646 A650 I653 I654 | L607-L611 VanDerWaalsContact O-CB 3.29Å; L607-L611 WeakPolarHBondContact O-CB 3.39Å; L607-L611 VanDerWaalsContact O-CG 3.26Å; L607-L611 WeakPolarHBondContact O-CG 3.47Å; L607-L611 PolarHBondContact O-N 2.91Å; L611-G615 VanDerWaalsContact O-CA 3.23Å; L611-G615 WeakPolarHBondContact O-CA 3.36Å; L611-G615 PolarHBondContact O-N 3.27Å; L611-G615 VanDerWaalsContact O-N 3.08Å; L611-T616 HydrophobicContact CD2-CG2 4.16Å; L611-V619 HydrophobicContact CD2-CB 4.2Å; L611-V619 HydrophobicContact CD2-CG1 4.45Å; L611-V619 HydrophobicContact CD2-CG2 4.01Å; L611-I646 HydrophobicContact CD2-CG2 4.42Å; L611-A650 HydrophobicContact CD1-CB 4.03Å; L611-A650 HydrophobicContact CD2-CB 4.07Å; L611-I653 HydrophobicContact CD1-CB 4.31Å; L611-I653 HydrophobicContact CD1-CD1 4.17Å; L611-I653 HydrophobicContact CD1-CG2 3.89Å; L611-I654 HydrophobicContact CB-CG1 4.25Å |
| 612 | K | 81.1 | Confident | 84.2 | Confident | 127 Ų | 127 | 42.6 Ų | 42.6 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -74.3 | -25.6 | 177.6 | 178.4 | 165.5 | 170.7 | 173.2 | 0 | 113.9 | V572 R608 G609 R610 | V572-K612 HydrophobicContact CG1-CD 3.78Å; V572-K612 HydrophobicContact CG1-CG 4.12Å; R608-K612 WeakPolarHBondContact O-CB 3.28Å; R608-K612 PolarHBondContact O-N 3.25Å; G609-K612 PolarHBondContact O-N 2.91Å; R610-K612 VanDerWaalsContact C-N 3.27Å; R610-K612 PolarHBondContact O-N 3.14Å |
| 613 | V | 79.1 | Confident | 84.2 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 29% | 0.291 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -95.5 | -41.6 | -178.8 | 174.9 | 0 | 0 | 0 | 0 | 113 | V572 I578 W581 G609 R610 | V572-V613 HydrophobicContact CG1-CG2 4.44Å; I578-V613 HydrophobicContact CG1-CG1 4.35Å; W581-V613 HydrophobicContact CB-CG1 4.25Å; W581-V613 HydrophobicContact CG-CB 4.24Å; W581-V613 HydrophobicContact CG-CG1 4.12Å; W581-V613 HydrophobicContact CG-CG2 4.45Å; G609-V613 WeakPolarHBondContact O-CG2 3.46Å; G609-V613 PolarHBondContact O-N 2.84Å; R610-V613 PolarHBondContact O-N 2.95Å |
| 614 | I | 79.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -112 | -16 | -174.3 | -19.9 | 167.8 | 0 | 0 | 0 | 113.5 | W581 N582 R610 P618 | W581-I614 HydrophobicContact CB-CD1 4.05Å; W581-I614 HydrophobicContact CB-CG1 4.12Å; W581-I614 VanDerWaalsContact O-CD1 3.31Å; W581-I614 WeakPolarHBondContact O-CD1 3.33Å; N582-I614 WeakPolarHBondContact OD1-CD1 3.43Å; R610-I614 HydrophobicContact CG-CD1 3.49Å; R610-I614 VanDerWaalsContact CG-CD1 3.49Å; R610-I614 HydrophobicContact CG-CG1 4.13Å; R610-I614 WeakPolarHBondContact O-CG1 3.37Å; R610-I614 PolarHBondContact O-N 3.25Å; I614-P618 HydrophobicContact CB-CG 3.91Å; I614-P618 HydrophobicContact CG2-CB 4.43Å; I614-P618 HydrophobicContact CG2-CG 3.62Å |
| 615 | G | 79.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | trans | 82.8 | -167.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L611 V619 | L611-G615 VanDerWaalsContact O-CA 3.23Å; L611-G615 WeakPolarHBondContact O-CA 3.36Å; L611-G615 PolarHBondContact O-N 3.27Å; L611-G615 VanDerWaalsContact O-N 3.08Å; G615-V619 WeakPolarHBondContact O-CG2 3.22Å | ||
| 616 | T | 81.1 | Confident | 84.4 | Confident | 52 Ų | 52 | 41.7 Ų | 41.7 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -84.9 | -46.8 | -166.4 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | L611 V619 I620 A650 | L611-T616 HydrophobicContact CD2-CG2 4.16Å; T616-V619 PolarHBondContact O-N 3.45Å; T616-V619 VanDerWaalsContact O-N 3.13Å; T616-I620 WeakPolarHBondContact O-CG1 3.19Å; T616-I620 PolarHBondContact O-N 3.42Å; T616-A650 HydrophobicContact CG2-CB 3.58Å |
| 617 | T | 80 | Confident | 84.5 | Confident | 97 Ų | 97 | 43.1 Ų | 43.1 | 60% | 0.595 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -52.9 | -50.4 | -173.3 | -42.4 | 0 | 0 | 0 | 0 | 114.2 | V619 I620 A621 | T617-V619 VanDerWaalsContact C-N 3.32Å; T617-V619 PolarHBondContact O-N 3.07Å; T617-I620 PolarHBondContact O-N 3.14Å; T617-A621 PolarHBondContact O-N 3.48Å |
| 618 | P | 82.1 | Confident | 84.3 | Confident | 50 Ų | 50 | 45 Ų | 45 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.4 | -29 | -179.8 | 27.4 | -34.1 | 0 | 0 | 0 | 112.8 | I614 A621 D622 | I614-P618 HydrophobicContact CB-CG 3.91Å; I614-P618 HydrophobicContact CG2-CB 4.43Å; I614-P618 HydrophobicContact CG2-CG 3.62Å; P618-A621 PolarHBondContact O-N 3.32Å; P618-D622 WeakPolarHBondContact O-CB 3.2Å; P618-D622 PolarHBondContact O-N 3.05Å |
| 619 | V | 86.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -41.8 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | L607 R610 L611 G615 T616 T617 D622 F623 I646 | L607-V619 HydrophobicContact CD2-CG1 4.04Å; R610-V619 HydrophobicContact CG-CG2 4.05Å; L611-V619 HydrophobicContact CD2-CB 4.2Å; L611-V619 HydrophobicContact CD2-CG1 4.45Å; L611-V619 HydrophobicContact CD2-CG2 4.01Å; G615-V619 WeakPolarHBondContact O-CG2 3.22Å; T616-V619 PolarHBondContact O-N 3.45Å; T616-V619 VanDerWaalsContact O-N 3.13Å; T617-V619 VanDerWaalsContact C-N 3.32Å; T617-V619 PolarHBondContact O-N 3.07Å; V619-D622 PolarHBondContact O-N 2.85Å; V619-F623 HydrophobicContact CG1-CD2 4.18Å; V619-F623 HydrophobicContact CG1-CE2 4.21Å; V619-F623 WeakPolarHBondContact O-CD2 3.19Å; V619-F623 PolarHBondContact O-N 2.86Å; V619-I646 HydrophobicContact CG1-CD1 3.95Å |
| 620 | I | 86.3 | Confident | 84.9 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.9 | -67 | 167.9 | 0 | 0 | 0 | 110.8 | T616 T617 F623 Q624 L643 I646 Q647 | T616-I620 WeakPolarHBondContact O-CG1 3.19Å; T616-I620 PolarHBondContact O-N 3.42Å; T617-I620 PolarHBondContact O-N 3.14Å; I620-F623 PolarHBondContact O-N 2.86Å; I620-Q624 WeakPolarHBondContact O-CG 3.3Å; I620-Q624 PolarHBondContact O-N 2.77Å; I620-L643 HydrophobicContact CG2-CD1 4.27Å; I620-I646 HydrophobicContact CD1-CG2 4.38Å; I620-I646 HydrophobicContact CG1-CG2 3.96Å; I620-Q647 HydrophobicContact CD1-CG 4.48Å |
| 621 | A | 83.4 | Confident | 84.9 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 26% | 0.256 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T617 P618 Q624 R625 | T617-A621 PolarHBondContact O-N 3.48Å; P618-A621 PolarHBondContact O-N 3.32Å; A621-Q624 WeakPolarHBondContact O-CB 3.32Å; A621-Q624 PolarHBondContact O-N 2.72Å; A621-R625 WeakPolarHBondContact O-CB 3.3Å; A621-R625 PolarHBondContact O-N 2.76Å |
| 622 | D | 87.1 | Confident | 84.9 | Confident | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 174.9 | -106.6 | 21.4 | 0 | 0 | 0 | 112.4 | T585 R610 P618 V619 Q624 R625 Y626 | T585-D622 WeakPolarHBondContact CB-OD2 3.4Å; T585-D622 WeakPolarHBondContact CG2-OD2 3.29Å; T585-D622 PolarHBondContact OG1-OD2 2.98Å; R610-D622 IonicContact CZ-OD2 3.38Å; R610-D622 IonicContact NH1-OD2 3.59Å; R610-D622 PolarHBondContact NH1-OD2 3.28Å; R610-D622 IonicContact NH2-OD2 3.83Å; R610-D622 PolarHBondContact NH2-OD2 2.93Å; P618-D622 WeakPolarHBondContact O-CB 3.2Å; P618-D622 PolarHBondContact O-N 3.05Å; V619-D622 PolarHBondContact O-N 2.85Å; D622-Q624 PolarHBondContact O-N 2.82Å; D622-R625 PolarHBondContact O-N 2.79Å; D622-Y626 HydrophobicContact CB-CD2 4.29Å; D622-Y626 HydrophobicContact CB-CE2 4.34Å; D622-Y626 WeakPolarHBondContact O-CD2 3.48Å; D622-Y626 PolarHBondContact O-N 2.73Å |
| 623 | F | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -33.6 | 173.4 | -91.8 | -100.5 | 0 | 0 | 0 | 111.8 | L601 L607 V619 I620 R627 F630 W639 L643 I646 | L601-F623 HydrophobicContact CB-CE2 4.39Å; L601-F623 HydrophobicContact CB-CZ 4.2Å; L601-F623 HydrophobicContact CD2-CD2 4.3Å; L601-F623 HydrophobicContact CD2-CE2 3.98Å; L601-F623 WeakPolarHBondContact O-CZ 3.38Å; L607-F623 HydrophobicContact CD2-CE2 4.12Å; V619-F623 HydrophobicContact CG1-CD2 4.18Å; V619-F623 HydrophobicContact CG1-CE2 4.21Å; V619-F623 WeakPolarHBondContact O-CD2 3.19Å; V619-F623 PolarHBondContact O-N 2.86Å; I620-F623 PolarHBondContact O-N 2.86Å; F623-R627 PolarHBondContact O-N 2.99Å; F623-F630 HydrophobicContact CD1-CZ 4.22Å; F623-F630 AromaticContact CE1-CZ 3.93Å; F623-F630 HydrophobicContact CE1-CZ 3.93Å; F623-W639 AromaticContact CD1-CD1 3.81Å; F623-W639 PolarHBondContact O-NE1 2.87Å; F623-L643 HydrophobicContact CB-CD1 4.25Å; F623-L643 HydrophobicContact CD1-CB 4.45Å; F623-I646 HydrophobicContact CD2-CD1 4.16Å; F623-I646 HydrophobicContact CE2-CD1 3.68Å; F623-I646 HydrophobicContact CZ-CD1 4.05Å |
| 624 | Q | 85.9 | Confident | 85.6 | Confident | 82 Ų | 82 | 44.9 Ų | 44.9 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.5 | -44 | 173 | -69.8 | 173.1 | -14.9 | 0 | 0 | 112.1 | I620 A621 D622 R627 | I620-Q624 WeakPolarHBondContact O-CG 3.3Å; I620-Q624 PolarHBondContact O-N 2.77Å; A621-Q624 WeakPolarHBondContact O-CB 3.32Å; A621-Q624 PolarHBondContact O-N 2.72Å; D622-Q624 PolarHBondContact O-N 2.82Å; Q624-R627 WeakPolarHBondContact O-CB 3.37Å; Q624-R627 PolarHBondContact O-N 2.88Å |
| 625 | R | 86.9 | Confident | 86 | Confident | 133 Ų | 133 | 45.2 Ų | 45.2 | 50% | 0.502 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 179.6 | -174.1 | -179.3 | -176.8 | -163.9 | 0.5 | 112.4 | E586 A621 D622 R627 | E586-R625 VanDerWaalsContact CD-NH2 3.28Å; E586-R625 IonicContact OE1-NH2 3.44Å; E586-R625 PolarHBondContact OE1-NH2 3.15Å; E586-R625 VanDerWaalsContact OE1-NH2 3.15Å; E586-R625 IonicContact OE2-CZ 2.77Å; E586-R625 IonicContact OE2-NH1 2.73Å; E586-R625 PolarHBondContact OE2-NH1 2.92Å; E586-R625 IonicContact OE2-NH2 3.87Å; E586-R625 PolarHBondContact OE2-NH2 3.07Å; A621-R625 WeakPolarHBondContact O-CB 3.3Å; A621-R625 PolarHBondContact O-N 2.76Å; D622-R625 PolarHBondContact O-N 2.79Å; R625-R627 VanDerWaalsContact C-N 3.31Å; R625-R627 PolarHBondContact O-N 3.5Å |
| 626 | Y | 90.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 8.5 | -178.1 | -60.5 | -61.5 | 0 | 0 | 0 | 114.1 | T585 E586 F589 L597 L601 D622 A628 V629 F630 | T585-Y626 HydrophobicContact CG2-CE2 4.41Å; E586-Y626 WeakPolarHBondContact CA-OH 3.37Å; E586-Y626 PolarHBondContact N-OH 3.11Å; F589-Y626 HydrophobicContact CB-CE1 3.84Å; F589-Y626 AromaticContact CD2-CD1 3.99Å; F589-Y626 HydrophobicContact CD2-CD1 3.99Å; F589-Y626 AromaticContact CD2-CE1 3.76Å; F589-Y626 HydrophobicContact CD2-CE1 3.76Å; F589-Y626 HydrophobicContact CE2-CE1 4.46Å; F589-Y626 HydrophobicContact CG-CD1 4.48Å; F589-Y626 AromaticContact CG-CE1 3.79Å; F589-Y626 HydrophobicContact CG-CE1 3.79Å; L597-Y626 HydrophobicContact CD2-CD1 3.69Å; L597-Y626 HydrophobicContact CD2-CE1 4.03Å; L597-Y626 HydrophobicContact CD2-CG 4.02Å; L601-Y626 HydrophobicContact CD1-CD2 4.25Å; D622-Y626 HydrophobicContact CB-CD2 4.29Å; D622-Y626 HydrophobicContact CB-CE2 4.34Å; D622-Y626 WeakPolarHBondContact O-CD2 3.48Å; D622-Y626 PolarHBondContact O-N 2.73Å; Y626-A628 PolarHBondContact O-N 2.91Å; Y626-A628 VanDerWaalsContact O-N 3.14Å; Y626-V629 HydrophobicContact CD1-CG2 4.27Å; Y626-V629 WeakPolarHBondContact O-CA 3.35Å; Y626-V629 WeakPolarHBondContact O-CB 3.49Å; Y626-V629 PolarHBondContact O-N 2.75Å; Y626-F630 WeakPolarHBondContact O-CD2 3.39Å; Y626-F630 PolarHBondContact O-N 2.88Å |
| 627 | R | 90 | Very high | 86.4 | Confident | 30 Ų | 30 | 46 Ų | 46 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -50.6 | -38.2 | 178 | 175.8 | 176.5 | 170 | 168.1 | 1.2 | 113.4 | F623 Q624 R625 V629 V631 W639 L1401 T1403 T1406 | F623-R627 PolarHBondContact O-N 2.99Å; Q624-R627 WeakPolarHBondContact O-CB 3.37Å; Q624-R627 PolarHBondContact O-N 2.88Å; R625-R627 VanDerWaalsContact C-N 3.31Å; R625-R627 PolarHBondContact O-N 3.5Å; R627-V629 PolarHBondContact O-N 2.95Å; R627-V631 WeakPolarHBondContact O-CG2 3.37Å; R627-W639 HydrophobicContact CB-CZ2 4.43Å; R627-W639 HydrophobicContact CG-CZ2 4.1Å; R627-L1401 PolarHBondContact NH1-O 2.87Å; R627-T1403 WeakPolarHBondContact CD-OG1 3.24Å; R627-T1403 PolarHBondContact NE-OG1 2.87Å; R627-T1403 VanDerWaalsContact NE-OG1 3.16Å; R627-T1406 HydrophobicContact CG-CG2 3.7Å; R627-T1406 PolarHBondContact NH2-OG1 3.49Å |
| 628 | A | 84.1 | Confident | 86.7 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.8 | -15.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y626 V631 T632 | Y626-A628 PolarHBondContact O-N 2.91Å; Y626-A628 VanDerWaalsContact O-N 3.14Å; A628-V631 WeakPolarHBondContact O-CB 3.38Å; A628-T632 PolarHBondContact O-N 2.93Å; A628-T632 PolarHBondContact O-OG1 3.38Å |
| 629 | V | 88.2 | Confident | 87.1 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -85.5 | -42.6 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | F589 L594 L597 V598 Y626 R627 V631 T632 L633 | F589-V629 HydrophobicContact CD2-CG2 4.23Å; F589-V629 HydrophobicContact CE2-CG2 4.07Å; L594-V629 HydrophobicContact CB-CG1 3.79Å; L594-V629 HydrophobicContact CD1-CG1 4.37Å; L594-V629 HydrophobicContact CD2-CG1 3.87Å; L594-V629 HydrophobicContact CD2-CG2 4.34Å; L594-V629 HydrophobicContact CG-CG1 4.2Å; L597-V629 HydrophobicContact CD2-CG1 4.36Å; L597-V629 HydrophobicContact CD2-CG2 4.4Å; V598-V629 HydrophobicContact CG2-CG1 4.16Å; Y626-V629 HydrophobicContact CD1-CG2 4.27Å; Y626-V629 WeakPolarHBondContact O-CA 3.35Å; Y626-V629 WeakPolarHBondContact O-CB 3.49Å; Y626-V629 PolarHBondContact O-N 2.75Å; R627-V629 PolarHBondContact O-N 2.95Å; V629-V631 PolarHBondContact O-N 2.87Å; V629-V631 VanDerWaalsContact O-N 3.08Å; V629-T632 WeakPolarHBondContact CA-OG1 3.43Å; V629-T632 PolarHBondContact O-N 2.95Å; V629-T632 PolarHBondContact O-OG1 3.27Å; V629-L633 HydrophobicContact CG1-CD1 4.25Å; V629-L633 WeakPolarHBondContact O-CG 3.4Å; V629-L633 PolarHBondContact O-N 3.1Å |
| 630 | F | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.2 | -25.7 | 170.8 | -72.3 | -96.1 | 0 | 0 | 0 | 111.9 | V598 L601 I602 F623 Y626 N634 R635 M636 W639 | V598-F630 HydrophobicContact CB-CE1 4.42Å; V598-F630 HydrophobicContact CG1-CD1 3.75Å; V598-F630 HydrophobicContact CG1-CE1 3.62Å; V598-F630 HydrophobicContact CG1-CZ 4.35Å; V598-F630 HydrophobicContact CG2-CD1 4.09Å; V598-F630 HydrophobicContact CG2-CD2 4.36Å; V598-F630 HydrophobicContact CG2-CE1 4.24Å; V598-F630 HydrophobicContact CG2-CE2 4.46Å; V598-F630 HydrophobicContact CG2-CG 4.17Å; V598-F630 HydrophobicContact CG2-CZ 4.41Å; L601-F630 HydrophobicContact CB-CZ 4.05Å; L601-F630 HydrophobicContact CD1-CE2 3.71Å; L601-F630 HydrophobicContact CD1-CZ 3.81Å; I602-F630 HydrophobicContact CD1-CE1 4.19Å; I602-F630 HydrophobicContact CG1-CE1 4.38Å; F623-F630 HydrophobicContact CD1-CZ 4.22Å; F623-F630 AromaticContact CE1-CZ 3.93Å; F623-F630 HydrophobicContact CE1-CZ 3.93Å; Y626-F630 WeakPolarHBondContact O-CD2 3.39Å; Y626-F630 PolarHBondContact O-N 2.88Å; F630-N634 PolarHBondContact O-N 3.32Å; F630-R635 HydrophobicContact CD1-CB 4.46Å; F630-R635 PolarHBondContact O-N 2.9Å; F630-M636 HydrophobicContact CB-SD 4.24Å; F630-W639 HydrophobicContact CB-CB 4.09Å; F630-W639 HydrophobicContact CB-CG 4.47Å; F630-W639 HydrophobicContact CD1-CB 3.63Å; F630-W639 HydrophobicContact CD1-CG 4.37Å; F630-W639 HydrophobicContact CD2-CB 4.39Å; F630-W639 AromaticContact CD2-CD1 3.54Å; F630-W639 HydrophobicContact CD2-CG 4.29Å; F630-W639 HydrophobicContact CE1-CB 4.06Å; F630-W639 AromaticContact CE2-CD1 3.71Å; F630-W639 HydrophobicContact CG-CB 3.8Å; F630-W639 AromaticContact CG-CD1 3.83Å; F630-W639 HydrophobicContact CG-CG 4.15Å |
| 631 | V | 87.3 | Confident | 86.8 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.1 | -54.3 | 175.6 | 150.7 | 0 | 0 | 0 | 0 | 113.2 | R627 A628 V629 L633 N634 M636 T1405 T1406 P1407 | R627-V631 WeakPolarHBondContact O-CG2 3.37Å; A628-V631 WeakPolarHBondContact O-CB 3.38Å; V629-V631 PolarHBondContact O-N 2.87Å; V629-V631 VanDerWaalsContact O-N 3.08Å; V631-L633 PolarHBondContact O-N 3.26Å; V631-N634 PolarHBondContact O-N 3.27Å; V631-M636 HydrophobicContact CG2-CG 3.75Å; V631-M636 HydrophobicContact CG2-SD 3.65Å; V631-T1405 WeakPolarHBondContact CG1-O 3.49Å; V631-T1406 VanDerWaalsContact CG2-CA 3.46Å; V631-T1406 HydrophobicContact CG2-CG2 3.45Å; V631-T1406 VanDerWaalsContact CG2-CG2 3.45Å; V631-P1407 HydrophobicContact CG1-CG 4.05Å |
| 632 | T | 85.2 | Confident | 87 | Confident | 96 Ų | 96 | 50 Ų | 50 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.1 | -18.6 | -179.3 | 45 | 0 | 0 | 0 | 0 | 112.4 | A628 V629 | A628-T632 PolarHBondContact O-N 2.93Å; A628-T632 PolarHBondContact O-OG1 3.38Å; V629-T632 WeakPolarHBondContact CA-OG1 3.43Å; V629-T632 PolarHBondContact O-N 2.95Å; V629-T632 PolarHBondContact O-OG1 3.27Å |
| 633 | L | 88.1 | Confident | 87 | Confident | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 3.4 | 177.7 | -54.7 | -179.1 | 0 | 0 | 0 | 114 | L594 D595 V598 V629 V631 R635 | L594-L633 HydrophobicContact CB-CD1 4.02Å; L594-L633 HydrophobicContact CB-CD2 4.48Å; L594-L633 WeakPolarHBondContact O-CD1 3.47Å; D595-L633 WeakPolarHBondContact OD1-CD2 3.37Å; V598-L633 HydrophobicContact CB-CD1 4.42Å; V598-L633 HydrophobicContact CG2-CD1 3.89Å; V629-L633 HydrophobicContact CG1-CD1 4.25Å; V629-L633 WeakPolarHBondContact O-CG 3.4Å; V629-L633 PolarHBondContact O-N 3.1Å; V631-L633 PolarHBondContact O-N 3.26Å; L633-R635 VanDerWaalsContact C-N 3.34Å; L633-R635 WeakPolarHBondContact O-CG 3.49Å; L633-R635 PolarHBondContact O-N 2.86Å |
| 634 | N | 86.6 | Confident | 86.6 | Confident | 129 Ų | 129 | 57.1 Ų | 57.1 | 69% | 0.69 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 34.9 | 179.3 | -159.7 | 19.7 | 0 | 0 | 0 | 115.7 | F630 V631 | F630-N634 PolarHBondContact O-N 3.32Å; V631-N634 PolarHBondContact O-N 3.27Å |
| 635 | R | 88 | Confident | 86.3 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | trans | -110.3 | 27 | -176.7 | -68 | 171.3 | 75 | 170.5 | 4.1 | 113.4 | V598 D599 F630 L633 A637 E638 W639 | V598-R635 HydrophobicContact CG1-CB 4.33Å; V598-R635 VanDerWaalsContact CG1-CZ 3.48Å; D599-R635 IonicContact OD1-CZ 2.83Å; D599-R635 IonicContact OD1-NH1 2.73Å; D599-R635 PolarHBondContact OD1-NH1 2.62Å; D599-R635 IonicContact OD1-NH2 3Å; D599-R635 PolarHBondContact OD1-NH2 2.91Å; F630-R635 HydrophobicContact CD1-CB 4.46Å; F630-R635 PolarHBondContact O-N 2.9Å; L633-R635 VanDerWaalsContact C-N 3.34Å; L633-R635 WeakPolarHBondContact O-CG 3.49Å; L633-R635 PolarHBondContact O-N 2.86Å; R635-A637 VanDerWaalsContact C-N 3.3Å; R635-A637 PolarHBondContact O-N 3.11Å; R635-E638 IonicContact CZ-OE2 3.94Å; R635-E638 VanDerWaalsContact CZ-OE2 3.3Å; R635-E638 IonicContact NE-OE2 2.74Å; R635-E638 PolarHBondContact NE-OE2 3.43Å; R635-E638 IonicContact NH2-OE1 3.36Å; R635-E638 IonicContact NH2-OE2 3Å; R635-E638 PolarHBondContact NH2-OE2 2.6Å; R635-E638 WeakPolarHBondContact O-CB 3.16Å; R635-E638 PolarHBondContact O-N 3.08Å; R635-E638 VanDerWaalsContact O-N 3.12Å; R635-W639 PolarHBondContact O-N 2.98Å | ||
| 636 | M | 87.9 | Confident | 86.1 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -26.6 | -177 | -83.5 | -66.9 | -72.4 | 0 | 0 | 114.9 | F630 V631 E638 W639 L640 P1409 | F630-M636 HydrophobicContact CB-SD 4.24Å; V631-M636 HydrophobicContact CG2-CG 3.75Å; V631-M636 HydrophobicContact CG2-SD 3.65Å; M636-E638 VanDerWaalsContact C-N 3.34Å; M636-W639 HydrophobicContact CE-CD2 4.5Å; M636-W639 HydrophobicContact CE-CE3 3.94Å; M636-W639 HydrophobicContact CE-CZ3 4.31Å; M636-W639 WeakPolarHBondContact O-CB 3.36Å; M636-W639 PolarHBondContact O-N 3.07Å; M636-W639 HydrophobicContact SD-CB 4.35Å; M636-W639 HydrophobicContact SD-CD2 4.39Å; M636-W639 HydrophobicContact SD-CE3 4.37Å; M636-W639 HydrophobicContact SD-CG 4.39Å; M636-L640 PolarHBondContact O-N 2.93Å; M636-L640 VanDerWaalsContact O-N 3.16Å; M636-P1409 HydrophobicContact CB-CG 3.98Å |
| 637 | A | 81.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R635 L640 A641 | R635-A637 VanDerWaalsContact C-N 3.3Å; R635-A637 PolarHBondContact O-N 3.11Å; A637-L640 PolarHBondContact O-N 3.29Å; A637-A641 WeakPolarHBondContact O-CB 3.44Å; A637-A641 PolarHBondContact O-N 3.48Å |
| 638 | E | 86.5 | Confident | 84.7 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 177.6 | -53.8 | -177.2 | 145.3 | 0 | 0 | 110.9 | I602 R635 M636 L640 A641 Y642 | I602-E638 HydrophobicContact CD1-CB 3.61Å; I602-E638 HydrophobicContact CD1-CG 4.25Å; I602-E638 WeakPolarHBondContact CD1-OE2 3.37Å; R635-E638 IonicContact CZ-OE2 3.94Å; R635-E638 VanDerWaalsContact CZ-OE2 3.3Å; R635-E638 IonicContact NE-OE2 2.74Å; R635-E638 PolarHBondContact NE-OE2 3.43Å; R635-E638 IonicContact NH2-OE1 3.36Å; R635-E638 IonicContact NH2-OE2 3Å; R635-E638 PolarHBondContact NH2-OE2 2.6Å; R635-E638 WeakPolarHBondContact O-CB 3.16Å; R635-E638 PolarHBondContact O-N 3.08Å; R635-E638 VanDerWaalsContact O-N 3.12Å; M636-E638 VanDerWaalsContact C-N 3.34Å; E638-L640 VanDerWaalsContact C-N 3.34Å; E638-L640 PolarHBondContact O-N 3.2Å; E638-A641 PolarHBondContact O-N 2.85Å; E638-Y642 WeakPolarHBondContact O-CB 3.22Å; E638-Y642 WeakPolarHBondContact O-CD2 3.23Å; E638-Y642 PolarHBondContact O-N 2.89Å |
| 639 | W | 91.4 | Very high | 84.1 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 10% | 0.095 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.2 | -51.1 | 172.8 | 179.1 | 82.8 | 0 | 0 | 0 | 112 | F623 R627 F630 R635 M636 L643 | F623-W639 AromaticContact CD1-CD1 3.81Å; F623-W639 PolarHBondContact O-NE1 2.87Å; R627-W639 HydrophobicContact CB-CZ2 4.43Å; R627-W639 HydrophobicContact CG-CZ2 4.1Å; F630-W639 HydrophobicContact CB-CB 4.09Å; F630-W639 HydrophobicContact CB-CG 4.47Å; F630-W639 HydrophobicContact CD1-CB 3.63Å; F630-W639 HydrophobicContact CD1-CG 4.37Å; F630-W639 HydrophobicContact CD2-CB 4.39Å; F630-W639 AromaticContact CD2-CD1 3.54Å; F630-W639 HydrophobicContact CD2-CG 4.29Å; F630-W639 HydrophobicContact CE1-CB 4.06Å; F630-W639 AromaticContact CE2-CD1 3.71Å; F630-W639 HydrophobicContact CG-CB 3.8Å; F630-W639 AromaticContact CG-CD1 3.83Å; F630-W639 HydrophobicContact CG-CG 4.15Å; R635-W639 PolarHBondContact O-N 2.98Å; M636-W639 HydrophobicContact CE-CD2 4.5Å; M636-W639 HydrophobicContact CE-CE3 3.94Å; M636-W639 HydrophobicContact CE-CZ3 4.31Å; M636-W639 WeakPolarHBondContact O-CB 3.36Å; M636-W639 PolarHBondContact O-N 3.07Å; M636-W639 HydrophobicContact SD-CB 4.35Å; M636-W639 HydrophobicContact SD-CD2 4.39Å; M636-W639 HydrophobicContact SD-CE3 4.37Å; M636-W639 HydrophobicContact SD-CG 4.39Å; W639-L643 HydrophobicContact CH2-CD2 3.68Å; W639-L643 HydrophobicContact CZ2-CD2 3.67Å; W639-L643 HydrophobicContact CZ3-CD2 4.23Å; W639-L643 WeakPolarHBondContact O-CB 3.25Å; W639-L643 PolarHBondContact O-N 2.56Å |
| 640 | L | 84.1 | Confident | 83 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | -177.4 | -168.9 | 145.8 | 0 | 0 | 0 | 111.8 | M636 A637 E638 R644 | M636-L640 PolarHBondContact O-N 2.93Å; M636-L640 VanDerWaalsContact O-N 3.16Å; A637-L640 PolarHBondContact O-N 3.29Å; E638-L640 VanDerWaalsContact C-N 3.34Å; E638-L640 PolarHBondContact O-N 3.2Å; L640-R644 VanDerWaalsContact O-CB 3.25Å; L640-R644 WeakPolarHBondContact O-CB 3.33Å; L640-R644 PolarHBondContact O-N 3.31Å |
| 641 | A | 81.3 | Confident | 81.7 | Confident | 53 Ų | 53 | 63 Ų | 63 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A637 E638 F645 | A637-A641 WeakPolarHBondContact O-CB 3.44Å; A637-A641 PolarHBondContact O-N 3.48Å; E638-A641 PolarHBondContact O-N 2.85Å; A641-F645 VanDerWaalsContact O-CB 3.26Å; A641-F645 WeakPolarHBondContact O-CB 3.4Å; A641-F645 PolarHBondContact O-N 3.28Å |
| 642 | Y | 87.8 | Confident | 80.5 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.7 | -38.6 | -178.7 | -85.8 | -95.8 | 0 | 0 | 0 | 112.9 | I602 L604 L607 E638 R644 F645 I646 | I602-Y642 HydrophobicContact CB-CE2 4.42Å; I602-Y642 HydrophobicContact CG1-CD2 4.2Å; I602-Y642 HydrophobicContact CG1-CE2 4.31Å; I602-Y642 HydrophobicContact CG1-CG 4.49Å; I602-Y642 HydrophobicContact CG2-CD2 4.49Å; I602-Y642 HydrophobicContact CG2-CE1 4.38Å; I602-Y642 HydrophobicContact CG2-CE2 3.77Å; I602-Y642 WeakPolarHBondContact O-CE1 3.48Å; I602-Y642 PolarHBondContact O-OH 3.26Å; L604-Y642 HydrophobicContact CD2-CE1 3.69Å; L604-Y642 HydrophobicContact CG-CE1 4.13Å; L607-Y642 HydrophobicContact CD1-CD1 3.51Å; L607-Y642 HydrophobicContact CD1-CE1 3.78Å; E638-Y642 WeakPolarHBondContact O-CB 3.22Å; E638-Y642 WeakPolarHBondContact O-CD2 3.23Å; E638-Y642 PolarHBondContact O-N 2.89Å; Y642-R644 PolarHBondContact O-N 3.14Å; Y642-F645 PolarHBondContact O-N 3.06Å; Y642-I646 WeakPolarHBondContact O-CB 3.49Å; Y642-I646 WeakPolarHBondContact O-CD1 3.34Å; Y642-I646 VanDerWaalsContact O-CG1 3.25Å; Y642-I646 WeakPolarHBondContact O-CG1 3.12Å; Y642-I646 PolarHBondContact O-N 2.86Å |
| 643 | L | 87.4 | Confident | 79.6 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.3 | -179.5 | 61.7 | 0 | 0 | 0 | 111.2 | I620 F623 W639 I646 Q647 | I620-L643 HydrophobicContact CG2-CD1 4.27Å; F623-L643 HydrophobicContact CB-CD1 4.25Å; F623-L643 HydrophobicContact CD1-CB 4.45Å; W639-L643 HydrophobicContact CH2-CD2 3.68Å; W639-L643 HydrophobicContact CZ2-CD2 3.67Å; W639-L643 HydrophobicContact CZ3-CD2 4.23Å; W639-L643 WeakPolarHBondContact O-CB 3.25Å; W639-L643 PolarHBondContact O-N 2.56Å; L643-I646 PolarHBondContact O-N 2.69Å; L643-Q647 HydrophobicContact CD1-CG 4.46Å; L643-Q647 WeakPolarHBondContact O-CB 3.35Å; L643-Q647 VanDerWaalsContact O-CG 3.29Å; L643-Q647 WeakPolarHBondContact O-CG 3.23Å; L643-Q647 PolarHBondContact O-N 3.29Å |
| 644 | R | 79.7 | Confident | 78.4 | Confident | 149 Ų | 149 | 62.8 Ų | 62.8 | 56% | 0.562 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 176.5 | -169.7 | 175.5 | -174.8 | 169.5 | 2.9 | 111.7 | L640 Y642 I646 Q647 T648 | L640-R644 VanDerWaalsContact O-CB 3.25Å; L640-R644 WeakPolarHBondContact O-CB 3.33Å; L640-R644 PolarHBondContact O-N 3.31Å; Y642-R644 PolarHBondContact O-N 3.14Å; R644-I646 VanDerWaalsContact C-N 3.33Å; R644-I646 PolarHBondContact O-N 2.98Å; R644-Q647 PolarHBondContact O-N 3.09Å; R644-T648 WeakPolarHBondContact O-CG2 3.45Å; R644-T648 PolarHBondContact O-N 3.36Å; R644-T648 PolarHBondContact O-OG1 3.47Å |
| 645 | F | 81.5 | Confident | 76.6 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 31% | 0.311 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 175.4 | 172.1 | -98.7 | 0 | 0 | 0 | 112.5 | L604 A641 Y642 T648 N649 I653 | L604-F645 HydrophobicContact CD2-CE1 3.76Å; L604-F645 HydrophobicContact CD2-CZ 4.05Å; A641-F645 VanDerWaalsContact O-CB 3.26Å; A641-F645 WeakPolarHBondContact O-CB 3.4Å; A641-F645 PolarHBondContact O-N 3.28Å; Y642-F645 PolarHBondContact O-N 3.06Å; F645-T648 PolarHBondContact O-OG1 3.18Å; F645-N649 HydrophobicContact CD2-CB 4.5Å; F645-N649 WeakPolarHBondContact CD2-ND2 3.15Å; F645-N649 HydrophobicContact CE2-CB 4.4Å; F645-N649 WeakPolarHBondContact CE2-ND2 3.41Å; F645-N649 VanDerWaalsContact O-CB 3.25Å; F645-N649 WeakPolarHBondContact O-CB 3.45Å; F645-N649 PolarHBondContact O-N 3Å; F645-I653 HydrophobicContact CD1-CD1 4.24Å; F645-I653 HydrophobicContact CE1-CD1 3.4Å; F645-I653 HydrophobicContact CZ-CD1 3.57Å; F645-I653 HydrophobicContact CZ-CG1 4.48Å |
| 646 | I | 81.9 | Confident | 74.6 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -47.2 | 175.1 | -68.8 | 163.3 | 0 | 0 | 0 | 110 | L607 L611 V619 I620 F623 Y642 L643 R644 T648 A650 | L607-I646 HydrophobicContact CD1-CD1 4.47Å; L607-I646 HydrophobicContact CD2-CD1 4.15Å; L611-I646 HydrophobicContact CD2-CG2 4.42Å; V619-I646 HydrophobicContact CG1-CD1 3.95Å; I620-I646 HydrophobicContact CD1-CG2 4.38Å; I620-I646 HydrophobicContact CG1-CG2 3.96Å; F623-I646 HydrophobicContact CD2-CD1 4.16Å; F623-I646 HydrophobicContact CE2-CD1 3.68Å; F623-I646 HydrophobicContact CZ-CD1 4.05Å; Y642-I646 WeakPolarHBondContact O-CB 3.49Å; Y642-I646 WeakPolarHBondContact O-CD1 3.34Å; Y642-I646 VanDerWaalsContact O-CG1 3.25Å; Y642-I646 WeakPolarHBondContact O-CG1 3.12Å; Y642-I646 PolarHBondContact O-N 2.86Å; L643-I646 PolarHBondContact O-N 2.69Å; R644-I646 VanDerWaalsContact C-N 3.33Å; R644-I646 PolarHBondContact O-N 2.98Å; I646-T648 VanDerWaalsContact C-N 3.3Å; I646-T648 PolarHBondContact O-N 2.69Å; I646-A650 HydrophobicContact CG2-CB 3.99Å; I646-A650 WeakPolarHBondContact O-CB 3.35Å; I646-A650 PolarHBondContact O-N 3.19Å |
| 647 | Q | 77.4 | Confident | 72.4 | Confident | 109 Ų | 109 | 62.2 Ų | 62.2 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -32.8 | 179.6 | -74.5 | 172.9 | -11.8 | 0 | 0 | 113.7 | I620 L643 R644 | I620-Q647 HydrophobicContact CD1-CG 4.48Å; L643-Q647 HydrophobicContact CD1-CG 4.46Å; L643-Q647 WeakPolarHBondContact O-CB 3.35Å; L643-Q647 VanDerWaalsContact O-CG 3.29Å; L643-Q647 WeakPolarHBondContact O-CG 3.23Å; L643-Q647 PolarHBondContact O-N 3.29Å; R644-Q647 PolarHBondContact O-N 3.09Å |
| 648 | T | 74.4 | Confident | 70.4 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -88.7 | -43.7 | 176.9 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | R644 F645 I646 | R644-T648 WeakPolarHBondContact O-CG2 3.45Å; R644-T648 PolarHBondContact O-N 3.36Å; R644-T648 PolarHBondContact O-OG1 3.47Å; F645-T648 PolarHBondContact O-OG1 3.18Å; I646-T648 VanDerWaalsContact C-N 3.3Å; I646-T648 PolarHBondContact O-N 2.69Å |
| 649 | N | 71 | Confident | 67.7 | Low | 52 Ų | 52 | 65.7 Ų | 65.7 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -108.1 | -9.3 | -163.8 | -54.7 | -27.5 | 0 | 0 | 0 | 114.5 | F645 Y651 Y652 I653 | F645-N649 HydrophobicContact CD2-CB 4.5Å; F645-N649 WeakPolarHBondContact CD2-ND2 3.15Å; F645-N649 HydrophobicContact CE2-CB 4.4Å; F645-N649 WeakPolarHBondContact CE2-ND2 3.41Å; F645-N649 VanDerWaalsContact O-CB 3.25Å; F645-N649 WeakPolarHBondContact O-CB 3.45Å; F645-N649 PolarHBondContact O-N 3Å; N649-Y651 PolarHBondContact O-N 3.07Å; N649-Y652 WeakPolarHBondContact O-CB 2.87Å; N649-Y652 PolarHBondContact O-N 3.34Å; N649-I653 HydrophobicContact CB-CD1 4.16Å; N649-I653 HydrophobicContact CB-CG1 4.45Å; N649-I653 WeakPolarHBondContact O-CG1 3.34Å; N649-I653 PolarHBondContact O-N 3.03Å |
| 650 | A | 64.9 | Low | 64.6 | Low | 2 Ų | 2 | 73.3 Ų | 73.3 | 2% | 0.017 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.6 | -21.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L611 T616 I646 I654 | L611-A650 HydrophobicContact CD1-CB 4.03Å; L611-A650 HydrophobicContact CD2-CB 4.07Å; T616-A650 HydrophobicContact CG2-CB 3.58Å; I646-A650 HydrophobicContact CG2-CB 3.99Å; I646-A650 WeakPolarHBondContact O-CB 3.35Å; I646-A650 PolarHBondContact O-N 3.19Å; A650-I654 VanDerWaalsContact O-CD1 3.31Å; A650-I654 WeakPolarHBondContact O-CD1 3.27Å; A650-I654 WeakPolarHBondContact O-CG1 3.33Å |
| 651 | Y | 62.7 | Low | 61.7 | Low | 108 Ų | 108 | 76.4 Ų | 76.4 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -57.3 | 169.3 | -165 | -27.2 | 0 | 0 | 0 | 109.1 | N649 I653 I654 L1422 S1423 | N649-Y651 PolarHBondContact O-N 3.07Å; Y651-I653 PolarHBondContact O-N 3.11Å; Y651-I653 VanDerWaalsContact O-N 3.12Å; Y651-I654 PolarHBondContact O-N 3.02Å; Y651-I654 VanDerWaalsContact O-N 3.17Å; Y651-L1422 VanDerWaalsContact CE1-CA 3.46Å; Y651-L1422 HydrophobicContact CE2-CD2 4.25Å; Y651-L1422 HydrophobicContact CE2-CG 4.35Å; Y651-S1423 CarbonylContact C-O 3.57Å; Y651-S1423 CarbonylContact O-C 3.38Å |
| 652 | Y | 62.1 | Low | 59.1 | Low | 94 Ų | 94 | 80.1 Ų | 80.1 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -50.9 | -31.8 | 175.2 | -68.4 | -56.3 | 0 | 0 | 0 | 115.3 | N649 I654 S1420 G1421 L1422 S1423 | N649-Y652 WeakPolarHBondContact O-CB 2.87Å; N649-Y652 PolarHBondContact O-N 3.34Å; Y652-I654 VanDerWaalsContact C-N 3.31Å; Y652-I654 PolarHBondContact O-N 3.1Å; Y652-S1420 WeakPolarHBondContact CE2-O 3.26Å; Y652-S1420 PolarHBondContact OH-O 3.45Å; Y652-G1421 WeakPolarHBondContact CD1-O 3.29Å; Y652-G1421 WeakPolarHBondContact CD2-O 3.35Å; Y652-G1421 VanDerWaalsContact CE1-O 3.27Å; Y652-G1421 WeakPolarHBondContact CE1-O 3.02Å; Y652-G1421 WeakPolarHBondContact CE2-O 3.31Å; Y652-G1421 VanDerWaalsContact CZ-N 3.29Å; Y652-G1421 PolarHBondContact N-O 2.97Å; Y652-G1421 VanDerWaalsContact N-O 3.13Å; Y652-G1421 PolarHBondContact OH-N 2.7Å; Y652-L1422 VanDerWaalsContact CD1-O 3.32Å; Y652-L1422 WeakPolarHBondContact CD1-O 3.46Å; Y652-L1422 VanDerWaalsContact CE1-O 3.24Å; Y652-L1422 WeakPolarHBondContact CE1-O 3.16Å; Y652-S1423 CarbonylContact C-O 3.52Å; Y652-S1423 WeakPolarHBondContact CA-O 3.5Å |
| 653 | I | 65.1 | Low | 56.1 | Low | 32 Ų | 32 | 83 Ų | 83 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.9 | -27.6 | -175.8 | -66.4 | 170.9 | 0 | 0 | 0 | 112 | R608 L611 F645 N649 Y651 | R608-I653 HydrophobicContact CB-CG2 4.11Å; R608-I653 HydrophobicContact CG-CG2 4.03Å; L611-I653 HydrophobicContact CD1-CB 4.31Å; L611-I653 HydrophobicContact CD1-CD1 4.17Å; L611-I653 HydrophobicContact CD1-CG2 3.89Å; F645-I653 HydrophobicContact CD1-CD1 4.24Å; F645-I653 HydrophobicContact CE1-CD1 3.4Å; F645-I653 HydrophobicContact CZ-CD1 3.57Å; F645-I653 HydrophobicContact CZ-CG1 4.48Å; N649-I653 HydrophobicContact CB-CD1 4.16Å; N649-I653 HydrophobicContact CB-CG1 4.45Å; N649-I653 WeakPolarHBondContact O-CG1 3.34Å; N649-I653 PolarHBondContact O-N 3.03Å; Y651-I653 PolarHBondContact O-N 3.11Å; Y651-I653 VanDerWaalsContact O-N 3.12Å |
| 654 | I | 62.9 | Low | 53.1 | Low | 29 Ų | 29 | 88.2 Ų | 88.2 | 15% | 0.149 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -72.7 | -37.1 | -171.3 | -70.4 | 162.9 | 0 | 0 | 0 | 111.9 | L611 A650 Y651 Y652 | L611-I654 HydrophobicContact CB-CG1 4.25Å; A650-I654 VanDerWaalsContact O-CD1 3.31Å; A650-I654 WeakPolarHBondContact O-CD1 3.27Å; A650-I654 WeakPolarHBondContact O-CG1 3.33Å; Y651-I654 PolarHBondContact O-N 3.02Å; Y651-I654 VanDerWaalsContact O-N 3.17Å; Y652-I654 VanDerWaalsContact C-N 3.31Å; Y652-I654 PolarHBondContact O-N 3.1Å |
| 655 | D | 49.7 | Very low | 50.4 | Low | 14 Ų | 14 | 85.8 Ų | 85.8 | 8% | 0.075 | 45% | 0.45 | C | S | . | . | trans | -160.7 | 99.6 | 179.3 | 154.4 | 47.1 | 0 | 0 | 0 | 112.7 | T657 S1423 S1424 Q1425 | D655-T657 VanDerWaalsContact CG-OG1 3.31Å; D655-T657 PolarHBondContact O-N 2.64Å; D655-T657 WeakPolarHBondContact OD1-CB 3.44Å; D655-T657 VanDerWaalsContact OD1-CG2 3.25Å; D655-T657 WeakPolarHBondContact OD1-CG2 3.19Å; D655-T657 PolarHBondContact OD1-N 2.87Å; D655-T657 PolarHBondContact OD1-OG1 2.88Å; D655-T657 PolarHBondContact OD2-OG1 3.22Å; D655-S1423 CarbonylContact C-O 3.54Å; D655-S1423 PolarHBondContact N-O 3.39Å; D655-S1423 CarbonylContact O-C 3.48Å; D655-S1423 WeakPolarHBondContact O-CB 3.45Å; D655-S1423 PolarHBondContact O-OG 3.16Å; D655-S1423 VanDerWaalsContact O-OG 3.05Å; D655-S1424 PolarHBondContact O-N 3.42Å; D655-S1424 PolarHBondContact O-OG 3.32Å; D655-S1424 VanDerWaalsContact OD2-CB 3.32Å; D655-S1424 WeakPolarHBondContact OD2-CB 3.34Å; D655-S1424 PolarHBondContact OD2-OG 2.78Å; D655-Q1425 HydrophobicContact CB-CB 3.81Å; D655-Q1425 VanDerWaalsContact CB-N 3.32Å; D655-Q1425 PolarHBondContact OD1-NE2 3.46Å; D655-Q1425 VanDerWaalsContact OD2-CB 3.26Å; D655-Q1425 WeakPolarHBondContact OD2-CB 3.36Å; D655-Q1425 WeakPolarHBondContact OD2-CG 3.46Å; D655-Q1425 PolarHBondContact OD2-N 3.37Å; D655-Q1425 PolarHBondContact OD2-NE2 3.48Å | ||
| 656 | P | 45.6 | Very low | 47.7 | Very low | 84 Ų | 84 | 90.8 Ų | 90.8 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 22.1 | -169.3 | 31.7 | -37.9 | 0 | 0 | 0 | 115.8 | ||
| 657 | T | 41.6 | Very low | 44.8 | Very low | 95 Ų | 95 | 94.9 Ų | 94.9 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.8 | -165.5 | 61.4 | 0 | 0 | 0 | 0 | 116.9 | D655 V659 Q1425 | D655-T657 VanDerWaalsContact CG-OG1 3.31Å; D655-T657 PolarHBondContact O-N 2.64Å; D655-T657 WeakPolarHBondContact OD1-CB 3.44Å; D655-T657 VanDerWaalsContact OD1-CG2 3.25Å; D655-T657 WeakPolarHBondContact OD1-CG2 3.19Å; D655-T657 PolarHBondContact OD1-N 2.87Å; D655-T657 PolarHBondContact OD1-OG1 2.88Å; D655-T657 PolarHBondContact OD2-OG1 3.22Å; T657-V659 PolarHBondContact O-N 2.97Å; T657-Q1425 PolarHBondContact OG1-NE2 2.83Å |
| 658 | I | 39.1 | Very low | 42.3 | Very low | 88 Ų | 88 | 96 Ų | 96 | 45% | 0.451 | 51% | 0.512 | S | S | . | . | trans | -83.2 | -0.4 | -174.5 | -82.1 | -175.6 | 0 | 0 | 0 | 114.9 | Q660 S1424 | I658-Q660 PolarHBondContact O-N 2.95Å; I658-S1424 VanDerWaalsContact CD1-CB 3.42Å; I658-S1424 WeakPolarHBondContact CD1-OG 3.29Å; I658-S1424 WeakPolarHBondContact CG1-OG 3.35Å | ||
| 659 | V | 29.1 | Very low | 39.9 | Very low | 126 Ų | 126 | 95.8 Ų | 95.8 | 76% | 0.764 | 51% | 0.513 | S | S | * | . | trans | -78.4 | 77.6 | -174.2 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | T657 | T657-V659 PolarHBondContact O-N 2.97Š| ||
| 660 | Q | 26.5 | Very low | 37.8 | Very low | 185 Ų | 185 | 100.6 Ų | 100.6 | 86% | 0.864 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -146.5 | 148.7 | 161 | -96.8 | -176.5 | 5.9 | 0 | 0 | 111.6 | I658 C662 | I658-Q660 PolarHBondContact O-N 2.95Å; Q660-C662 PolarHBondContact O-N 2.91Å |
| 661 | D | 24.9 | Very low | 35.9 | Very low | 164 Ų | 164 | 103.9 Ų | 103.9 | 88% | 0.877 | 57% | 0.568 | S | S | * | * | trans | -68.2 | 116.1 | -162.9 | -61.5 | -78.9 | 0 | 0 | 0 | 115.8 | ||||
| 662 | C | 25.2 | Very low | 34 | Very low | 131 Ų | 131 | 104.3 Ų | 104.3 | 89% | 0.885 | 59% | 0.586 | S | S | * | * | trans | -149 | 142 | 156.8 | -101.9 | 0 | 0 | 0 | 0 | 114.6 | Q660 | Q660-C662 PolarHBondContact O-N 2.91Š| ||
| 663 | E | 26 | Very low | 32.1 | Very low | 112 Ų | 112 | 109.2 Ų | 109.2 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | trans | -62.2 | 139.2 | -166 | -68.5 | 154.9 | -165.1 | 0 | 0 | 116.2 | S665 K781 | E663-S665 PolarHBondContact O-N 3.44Å; E663-S665 VanDerWaalsContact O-N 3.09Å; E663-S665 PolarHBondContact O-OG 3.38Å; E663-K781 WeakPolarHBondContact OE1-CE 3.45Å; E663-K781 IonicContact OE1-NZ 3.3Å; E663-K781 PolarHBondContact OE1-NZ 3.11Å | ||
| 664 | R | 23.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 48% | 0.483 | 64% | 0.637 | S | S | . | * | trans | -53.5 | 113.3 | 168.7 | -82 | -174.9 | 175.6 | 118.6 | -17.1 | 110.9 | W784 F785 W786 | R664-W784 WeakPolarHBondContact CD-O 3.49Å; R664-F785 VanDerWaalsContact NH1-CD1 3.25Å; R664-W786 PolarHBondContact NH2-O 3.16Å; R664-W786 VanDerWaalsContact NH2-O 3.12Å | ||
| 665 | S | 24.2 | Very low | 28.3 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | trans | -149.1 | 98.8 | 171.2 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | E663 | E663-S665 PolarHBondContact O-N 3.44Å; E663-S665 VanDerWaalsContact O-N 3.09Å; E663-S665 PolarHBondContact O-OG 3.38Å | ||
| 666 | R | 23.9 | Very low | 27.2 | Very low | 176 Ų | 176 | 126.6 Ų | 126.6 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | trans | 63.3 | 171.9 | 160.2 | -61.3 | 175 | 169.3 | 159 | -3.1 | 116.8 | ||||
| 667 | S | 21.9 | Very low | 26.1 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 62% | 0.622 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -59.6 | 143.4 | 161.5 | 53.8 | 0 | 0 | 0 | 0 | 111 | C669 | S667-C669 VanDerWaalsContact C-N 3.27Å; S667-C669 PolarHBondContact O-N 2.86Å |
| 668 | P | 24.3 | Very low | 25.3 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -71.5 | 77.6 | 176.6 | 30 | -35 | 0 | 0 | 0 | 111.9 | ||
| 669 | C | 23.7 | Very low | 24.6 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 48% | 0.48 | 72% | 0.724 | S | S | . | * | trans | -137.7 | 23.4 | 178.7 | -99.3 | 0 | 0 | 0 | 0 | 113.5 | S667 K1551 | S667-C669 VanDerWaalsContact C-N 3.27Å; S667-C669 PolarHBondContact O-N 2.86Å; C669-K1551 WeakPolarHBondContact O-CE 3.46Å; C669-K1551 PolarHBondContact O-NZ 3.18Å | ||
| 670 | Q | 26.4 | Very low | 24.4 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | -137.8 | 146.9 | 163.1 | -61.9 | -175.3 | -9.2 | 0 | 0 | 107.3 | ||||
| 671 | G | 24.8 | Very low | 24.3 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | cis | -178.7 | 146.5 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 672 | S | 24.4 | Very low | 24.6 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | trans | -46.8 | 136.3 | 172.6 | 172.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 673 | R | 22.5 | Very low | 24.5 | Very low | 197 Ų | 197 | 126.8 Ų | 126.8 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | 179.1 | 123.3 | 121.7 | -98.7 | 165.6 | -177.1 | -176.7 | 3.7 | 113 | |||||
| 674 | R | 22.7 | Very low | 24.9 | Very low | 229 Ų | 229 | 127.1 Ų | 127.1 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | 64.2 | 150.3 | 149.5 | -62.7 | 175.3 | -178.6 | 176.6 | -2.2 | 116.5 | ||||
| 675 | S | 23.5 | Very low | 25 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -152.3 | 162.9 | -11.6 | 36.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 676 | S | 26.8 | Very low | 25 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -43 | 136 | 157.9 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 677 | V | 24.3 | Very low | 25 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | -157.4 | 153.3 | 113.3 | 139.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 678 | A | 24.2 | Very low | 25 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | trans | -5.6 | 139.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 679 | N | 24.1 | Very low | 25 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -170.1 | -168.8 | 10.4 | -123.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 680 | L | 24.8 | Very low | 24.9 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | 27.8 | 113.5 | 137.4 | -58.1 | 163.1 | 0 | 0 | 0 | 114.9 | ||||
| 681 | D | 24.9 | Very low | 24.9 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | 175.5 | 164.3 | 39.7 | -98.4 | -26.7 | 0 | 0 | 0 | 107.4 | ||||
| 682 | L | 30.4 | Very low | 24.8 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | cis | -125.5 | 167.6 | 0.6 | -78.1 | 97.5 | 0 | 0 | 0 | 112 | ||||
| 683 | S | 22.7 | Very low | 24.7 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -96.9 | -178.9 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 684 | P | 34.9 | Very low | 24.8 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | -81.4 | -73.1 | -123.7 | -2.1 | 19.9 | 0 | 0 | 0 | 117.6 | |||||
| 685 | P | 26.3 | Very low | 24.9 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | cis | -99.4 | -171.5 | -11.4 | 41.8 | -33.9 | 0 | 0 | 0 | 113.3 | ||||
| 686 | N | 23.9 | Very low | 25.3 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -77.1 | 148.5 | 155.3 | -62.7 | -75.6 | 0 | 0 | 0 | 109.4 | R688 | N686-R688 VanDerWaalsContact C-N 3.26Å; N686-R688 PolarHBondContact O-N 3.17Å | ||
| 687 | F | 22.7 | Very low | 25.1 | Very low | 214 Ų | 214 | 135.5 Ų | 135.5 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | trans | -78 | 81.3 | 155 | -108 | -81.4 | 0 | 0 | 0 | 109.6 | ||||
| 688 | R | 22.5 | Very low | 25.1 | Very low | 212 Ų | 212 | 137 Ų | 137 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | -92 | 152.6 | 149.5 | -85.6 | -171.9 | 174.1 | -176 | -2.2 | 108.2 | N686 | N686-R688 VanDerWaalsContact C-N 3.26Å; N686-R688 PolarHBondContact O-N 3.17Å | ||
| 689 | P | 24.2 | Very low | 25 | Very low | 107 Ų | 107 | 138 Ų | 138 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 165.8 | 177 | 31.6 | -36.5 | 0 | 0 | 0 | 112.5 | ||||
| 690 | D | 22.7 | Very low | 24.9 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | 63.2 | 103.4 | 155.7 | -61.6 | -37.6 | 0 | 0 | 0 | 120.7 | ||||
| 691 | S | 25.2 | Very low | 24.7 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | 127.4 | 118.5 | 103.8 | 69.9 | 0 | 0 | 0 | 0 | 118 | |||||
| 692 | R | 23.1 | Very low | 24.6 | Very low | 234 Ų | 234 | 142.9 Ų | 142.9 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | 68.3 | 144.4 | 147.5 | -60.4 | 173.1 | -172.4 | -176.4 | 3.9 | 117.5 | ||||
| 693 | C | 23.4 | Very low | 24.2 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | cis | -167.5 | 167.9 | -11.2 | -115 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 694 | I | 24.3 | Very low | 24.1 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 80.3 | 138.3 | 159 | -63 | 148.5 | 0 | 0 | 0 | 117.9 | ||||
| 695 | S | 23.2 | Very low | 23.6 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -129.7 | -155.8 | 175.9 | 61.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 696 | P | 31.8 | Very low | 23.4 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | cis | -132.3 | -148.3 | -18.5 | 26.6 | -1.1 | 0 | 0 | 0 | 111.8 | ||||
| 697 | V | 24.1 | Very low | 23.4 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | trans | 98.8 | 102.8 | 152.8 | -173.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 698 | E | 23 | Very low | 23.5 | Very low | 166 Ų | 166 | 143 Ų | 143 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | 36.7 | 109.9 | 127.9 | -51.3 | -165.4 | 132.9 | 0 | 0 | 123.5 | |||||
| 699 | S | 22.1 | Very low | 23.6 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | 85.7 | 167 | 113.4 | 86.3 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 700 | R | 22.1 | Very low | 23.6 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | trans | 71.2 | 107.7 | 152.6 | -75.5 | 175.6 | -178.4 | -163.2 | 3.6 | 119.4 | ||||
| 701 | R | 21.8 | Very low | 23.8 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | 79.9 | 121.6 | 117.2 | -75.2 | 180 | 177 | 174.9 | -1.9 | 118.7 | |||||
| 702 | N | 21.9 | Very low | 23.7 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | 84.3 | 115.7 | 120.7 | -70.4 | 13.3 | 0 | 0 | 0 | 119.8 | |||||
| 703 | L | 21.5 | Very low | 23.9 | Very low | 119 Ų | 119 | 138 Ų | 138 | 62% | 0.623 | 71% | 0.712 | S | S | * | * | 74.7 | 136.5 | 120.8 | -64.2 | 171.5 | 0 | 0 | 0 | 118.6 | |||||
| 704 | F | 22.4 | Very low | 23.9 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | 70.1 | 147 | 157.4 | -53 | -47.8 | 0 | 0 | 0 | 117.1 | ||||
| 705 | S | 22.9 | Very low | 23.9 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | cis | -173.4 | 169.3 | -25.6 | 61.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 706 | R | 22.6 | Very low | 23.9 | Very low | 217 Ų | 217 | 141.2 Ų | 141.2 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | trans | 69.5 | 145.5 | 151.7 | -70.9 | 169.3 | -179.4 | 178.3 | -0.2 | 115.1 | ||||
| 707 | N | 23.8 | Very low | 23.5 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | cis | -169 | -172.6 | -14.5 | -118.6 | 4.4 | 0 | 0 | 0 | 108 | ||||
| 708 | I | 25.7 | Very low | 23.4 | Very low | 131 Ų | 131 | 149 Ų | 149 | 67% | 0.672 | 74% | 0.735 | S | S | * | * | trans | 77.6 | 120.5 | 151.5 | -73.4 | 144.5 | 0 | 0 | 0 | 114.9 | ||||
| 709 | R | 23.7 | Very low | 23.3 | Very low | 211 Ų | 211 | 146 Ų | 146 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | cis | -164.6 | 178.9 | -8.5 | -129 | 169.9 | -162.9 | 158.8 | 2.3 | 111.6 | ||||
| 710 | S | 24.8 | Very low | 23.3 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 71.5 | 119.7 | 159.5 | 32.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 711 | N | 26.4 | Very low | 23.3 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 71.8 | 71.1 | 148.1 | -53.6 | 6.3 | 0 | 0 | 0 | 115 | ||||
| 712 | S | 24.2 | Very low | 23.4 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | 71.8 | 115 | 49 | 94.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 713 | I | 26.9 | Very low | 23.4 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | -161.1 | 139.7 | 94.6 | -90 | 157.2 | 0 | 0 | 0 | 107.9 | |||||
| 714 | N | 23.5 | Very low | 23.6 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | trans | -61.6 | 136.7 | -171.2 | -48.7 | -21.6 | 0 | 0 | 0 | 111.9 | ||||
| 715 | I | 23.5 | Very low | 23.8 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 82% | 0.821 | 69% | 0.691 | S | S | * | * | trans | -115.4 | 119.9 | 169.6 | -55.9 | 177.4 | 0 | 0 | 0 | 106.1 | ||||
| 716 | P | 23.6 | Very low | 23.9 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | trans | -80.7 | 158.3 | -162 | 31.2 | -36.4 | 0 | 0 | 0 | 114.6 | ||||
| 717 | D | 22.3 | Very low | 24.2 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -68.2 | 168.2 | -177.4 | -60.8 | -81.9 | 0 | 0 | 0 | 115.5 | ||||
| 718 | R | 22.4 | Very low | 24.2 | Very low | 237 Ų | 237 | 129.4 Ų | 129.4 | 89% | 0.894 | 70% | 0.702 | S | S | * | * | trans | 93.8 | 125.1 | 167.4 | -55.3 | 175.2 | 175.2 | -171.7 | -2.3 | 116.6 | ||||
| 719 | S | 22.4 | Very low | 24.3 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | 50.1 | 123.5 | 145.1 | 58.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 720 | S | 21 | Very low | 24.4 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | trans | 74.1 | 156.7 | 160.5 | 81.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 721 | Y | 22.5 | Very low | 24.7 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | 48.8 | 122.2 | 161.7 | -61.1 | -61.1 | 0 | 0 | 0 | 121.5 | ||||
| 722 | N | 22.6 | Very low | 24.8 | Very low | 76 Ų | 76 | 128 Ų | 128 | 41% | 0.406 | 70% | 0.7 | S | S | . | * | 39.4 | 131.1 | 122.5 | -44.9 | -20.1 | 0 | 0 | 0 | 118.5 | R778 | N722-R778 PolarHBondContact ND2-NH1 3.33Å; N722-R778 PolarHBondContact OD1-NH1 3.45Å | |||
| 723 | T | 23.8 | Very low | 25.1 | Very low | 48 Ų | 48 | 131.6 Ų | 131.6 | 29% | 0.294 | 71% | 0.707 | S | S | . | * | 176.4 | 166.7 | 75.9 | 26.6 | 0 | 0 | 0 | 0 | 114.4 | L774 R778 | T723-L774 WeakPolarHBondContact CG2-O 3.06Å; T723-R778 HydrophobicContact CG2-CB 4.26Å; T723-R778 HydrophobicContact CG2-CG 3.88Å | |||
| 724 | T | 24.8 | Very low | 25.1 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 41% | 0.411 | 72% | 0.718 | S | S | . | * | trans | 59.8 | 149.3 | 146.3 | 50 | 0 | 0 | 0 | 0 | 120.5 | L774 | T724-L774 HydrophobicContact CG2-CD2 4.35Š| ||
| 725 | S | 25.5 | Very low | 25.3 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | cis | -161 | -161.4 | -10.6 | 54.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 726 | P | 26.4 | Very low | 25.6 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | -122.1 | 151.5 | -101.6 | 35.4 | -17.3 | 0 | 0 | 0 | 115.8 | |||||
| 727 | K | 28.1 | Very low | 26 | Very low | 210 Ų | 210 | 121.5 Ų | 121.5 | 91% | 0.913 | 67% | 0.669 | S | S | * | * | trans | -135.5 | 117.4 | 154.2 | -64.1 | -178.8 | -178.6 | 179.5 | 0 | 106.3 | ||||
| 728 | G | 24.6 | Very low | 26.4 | Very low | 61 Ų | 61 | 117.8 Ų | 117.8 | 63% | 0.629 | 65% | 0.649 | S | S | * | * | cis | 99.1 | 118 | 13.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D730 | G728-D730 PolarHBondContact O-N 2.82Š| ||
| 729 | I | 26.8 | Very low | 26.9 | Very low | 145 Ų | 145 | 109.8 Ų | 109.8 | 74% | 0.744 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 84.1 | -52.3 | 179.7 | -55.5 | 168.8 | 0 | 0 | 0 | 116.2 | L731 L732 | I729-L731 PolarHBondContact O-N 3.31Å; I729-L732 PolarHBondContact O-N 2.89Å |
| 730 | D | 26.9 | Very low | 27.7 | Very low | 138 Ų | 138 | 112.2 Ų | 112.2 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -6.5 | -169.2 | -79.4 | 11.1 | 0 | 0 | 0 | 117 | G728 | G728-D730 PolarHBondContact O-N 2.82Š|
| 731 | L | 30.4 | Very low | 28.8 | Very low | 174 Ų | 174 | 113.6 Ų | 113.6 | 91% | 0.911 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 3.6 | 179.7 | -79.7 | 168.3 | 0 | 0 | 0 | 114.9 | I729 | I729-L731 PolarHBondContact O-N 3.31Š|
| 732 | L | 28.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 106.6 Ų | 106.6 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -88.7 | -3.1 | -177.2 | -90.7 | 160.1 | 0 | 0 | 0 | 115.5 | I729 F745 F749 | I729-L732 PolarHBondContact O-N 2.89Å; L732-F745 HydrophobicContact CD2-CE2 4.37Å; L732-F749 HydrophobicContact CD1-CE2 4.33Å |
| 733 | Q | 31.1 | Very low | 30.6 | Very low | 173 Ų | 173 | 107 Ų | 107 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -114.1 | 0.6 | -158.3 | -147.6 | 172 | 13.6 | 0 | 0 | 117.4 | ||
| 734 | L | 27.4 | Very low | 31.2 | Very low | 179 Ų | 179 | 108.8 Ų | 108.8 | 94% | 0.937 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -137.3 | 16.4 | 175.1 | -72.6 | 175.3 | 0 | 0 | 0 | 113.4 | ||
| 735 | G | 27.6 | Very low | 32 | Very low | 37 Ų | 37 | 107.9 Ų | 107.9 | 38% | 0.381 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -108.7 | -1.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 736 | L | 29.6 | Very low | 32.9 | Very low | 91 Ų | 91 | 108.2 Ų | 108.2 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | trans | -139.3 | 127.2 | 179.2 | -69.7 | 174.3 | 0 | 0 | 0 | 110 | L738 F745 | L736-L738 HydrophobicContact CB-CB 4.34Å; L736-L738 HydrophobicContact CB-CG 4.36Å; L736-L738 HydrophobicContact CD2-CD1 4.07Å; L736-L738 HydrophobicContact CD2-CG 4.34Å; L736-L738 PolarHBondContact O-N 3.47Å; L736-F745 HydrophobicContact CD1-CD2 3.36Å; L736-F745 HydrophobicContact CD1-CE2 3.87Å; L736-F745 HydrophobicContact CD1-CG 4.23Å | ||
| 737 | G | 31 | Very low | 33.8 | Very low | 51 Ų | 51 | 109.1 Ų | 109.1 | 53% | 0.526 | 60% | 0.596 | S | S | . | * | trans | -82.1 | 18 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 738 | L | 30.7 | Very low | 34.2 | Very low | 76 Ų | 76 | 101 Ų | 101 | 40% | 0.398 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -93.8 | 142.5 | 179.5 | -52.9 | -178.4 | 0 | 0 | 0 | 109.1 | L736 N742 | L736-L738 HydrophobicContact CB-CB 4.34Å; L736-L738 HydrophobicContact CB-CG 4.36Å; L736-L738 HydrophobicContact CD2-CD1 4.07Å; L736-L738 HydrophobicContact CD2-CG 4.34Å; L736-L738 PolarHBondContact O-N 3.47Å; L738-N742 HydrophobicContact CB-CB 3.89Å |
| 739 | S | 32.8 | Very low | 35.2 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | trans | -65.8 | 160.7 | 169.7 | -162.6 | 0 | 0 | 0 | 0 | 111.3 | D741 N742 | S739-D741 VanDerWaalsContact CB-OD2 3.31Å; S739-D741 WeakPolarHBondContact CB-OD2 3.39Å; S739-D741 PolarHBondContact O-N 2.66Å; S739-D741 PolarHBondContact OG-OD2 3.38Å; S739-N742 VanDerWaalsContact O-CB 3.25Å; S739-N742 WeakPolarHBondContact O-CB 3.3Å; S739-N742 PolarHBondContact O-N 2.82Å | ||
| 740 | Q | 39.8 | Very low | 36.1 | Very low | 155 Ų | 155 | 100.9 Ų | 100.9 | 72% | 0.724 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.8 | 167.3 | -66.6 | -174.8 | -16.7 | 0 | 0 | 112 | N742 Q746 | Q740-N742 VanDerWaalsContact C-N 3.25Å; Q740-N742 PolarHBondContact O-N 3.14Å; Q740-Q746 PolarHBondContact O-NE2 3.23Å; Q740-Q746 VanDerWaalsContact O-NE2 3.09Å |
| 741 | D | 44.7 | Very low | 37.1 | Very low | 130 Ų | 130 | 99.2 Ų | 99.2 | 70% | 0.695 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2.5 | 175.5 | -36.7 | -65.4 | 0 | 0 | 0 | 113.8 | S739 | S739-D741 VanDerWaalsContact CB-OD2 3.31Å; S739-D741 WeakPolarHBondContact CB-OD2 3.39Å; S739-D741 PolarHBondContact O-N 2.66Å; S739-D741 PolarHBondContact OG-OD2 3.38Å |
| 742 | N | 41.7 | Very low | 37.5 | Very low | 44 Ų | 44 | 96.8 Ų | 96.8 | 24% | 0.235 | 53% | 0.525 | C | S | . | . | trans | -80.5 | 128 | -174.5 | -173 | -74.5 | 0 | 0 | 0 | 112.3 | L738 S739 Q740 V744 F745 Q746 | L738-N742 HydrophobicContact CB-CB 3.89Å; S739-N742 VanDerWaalsContact O-CB 3.25Å; S739-N742 WeakPolarHBondContact O-CB 3.3Å; S739-N742 PolarHBondContact O-N 2.82Å; Q740-N742 VanDerWaalsContact C-N 3.25Å; Q740-N742 PolarHBondContact O-N 3.14Å; N742-V744 VanDerWaalsContact C-N 3.33Å; N742-V744 PolarHBondContact O-N 2.79Å; N742-V744 WeakPolarHBondContact OD1-CB 3.48Å; N742-V744 PolarHBondContact OD1-N 2.81Å; N742-F745 HydrophobicContact CB-CB 4.3Å; N742-F745 WeakPolarHBondContact O-CB 3.5Å; N742-F745 PolarHBondContact O-N 3.39Å; N742-F745 PolarHBondContact OD1-N 3.16Å; N742-Q746 PolarHBondContact O-N 2.98Å; N742-Q746 VanDerWaalsContact O-N 3.12Å | ||
| 743 | P | 39.9 | Very low | 38.2 | Very low | 85 Ų | 85 | 94.5 Ų | 94.5 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -30.7 | -175.3 | 25.7 | -34.8 | 0 | 0 | 0 | 113.7 | Q746 Q747 | P743-Q746 PolarHBondContact O-N 2.86Å; P743-Q747 PolarHBondContact O-N 3.12Å |
| 744 | V | 37.3 | Very low | 38.9 | Very low | 86 Ų | 86 | 91 Ų | 91 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 177.9 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | N742 A748 | N742-V744 VanDerWaalsContact C-N 3.33Å; N742-V744 PolarHBondContact O-N 2.79Å; N742-V744 WeakPolarHBondContact OD1-CB 3.48Å; N742-V744 PolarHBondContact OD1-N 2.81Å; V744-A748 WeakPolarHBondContact O-CB 3.3Å; V744-A748 PolarHBondContact O-N 3.31Å |
| 745 | F | 40.6 | Very low | 39.3 | Very low | 48 Ų | 48 | 91.4 Ų | 91.4 | 21% | 0.211 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 171.5 | 175.7 | -117.7 | 0 | 0 | 0 | 111.3 | L732 L736 N742 A748 F749 | L732-F745 HydrophobicContact CD2-CE2 4.37Å; L736-F745 HydrophobicContact CD1-CD2 3.36Å; L736-F745 HydrophobicContact CD1-CE2 3.87Å; L736-F745 HydrophobicContact CD1-CG 4.23Å; N742-F745 HydrophobicContact CB-CB 4.3Å; N742-F745 WeakPolarHBondContact O-CB 3.5Å; N742-F745 PolarHBondContact O-N 3.39Å; N742-F745 PolarHBondContact OD1-N 3.16Å; F745-A748 PolarHBondContact O-N 3.43Å; F745-F749 WeakPolarHBondContact O-CB 3.44Å; F745-F749 PolarHBondContact O-N 2.73Å |
| 746 | Q | 44.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 178.7 | -66.2 | -177.7 | 10.2 | 0 | 0 | 111.9 | Q740 N742 P743 F749 Q750 | Q740-Q746 PolarHBondContact O-NE2 3.23Å; Q740-Q746 VanDerWaalsContact O-NE2 3.09Å; N742-Q746 PolarHBondContact O-N 2.98Å; N742-Q746 VanDerWaalsContact O-N 3.12Å; P743-Q746 PolarHBondContact O-N 2.86Å; Q746-F749 PolarHBondContact O-N 3.05Å; Q746-Q750 VanDerWaalsContact O-CB 3.28Å; Q746-Q750 WeakPolarHBondContact O-CB 3.15Å; Q746-Q750 PolarHBondContact O-N 3.29Å |
| 747 | Q | 45.1 | Very low | 40.3 | Very low | 131 Ų | 131 | 97.1 Ų | 97.1 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 175 | -76.6 | -175.2 | -21.4 | 0 | 0 | 113 | P743 F749 Q750 L751 | P743-Q747 PolarHBondContact O-N 3.12Å; Q747-F749 PolarHBondContact O-N 2.79Å; Q747-Q750 PolarHBondContact O-N 3.35Å; Q747-L751 WeakPolarHBondContact O-CB 3.44Å; Q747-L751 PolarHBondContact O-N 2.89Å |
| 748 | A | 38.1 | Very low | 40.9 | Very low | 39 Ų | 39 | 98 Ų | 98 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V744 F745 L752 | V744-A748 WeakPolarHBondContact O-CB 3.3Å; V744-A748 PolarHBondContact O-N 3.31Å; F745-A748 PolarHBondContact O-N 3.43Å; A748-L752 WeakPolarHBondContact O-CB 3.45Å; A748-L752 VanDerWaalsContact O-CG 3.3Å; A748-L752 WeakPolarHBondContact O-CG 3.21Å; A748-L752 PolarHBondContact O-N 3Å |
| 749 | F | 44.1 | Very low | 41.2 | Very low | 98 Ų | 98 | 99.6 Ų | 99.6 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 175 | -172.8 | -94.5 | 0 | 0 | 0 | 112.1 | L732 F745 Q746 Q747 T753 | L732-F749 HydrophobicContact CD1-CE2 4.33Å; F745-F749 WeakPolarHBondContact O-CB 3.44Å; F745-F749 PolarHBondContact O-N 2.73Å; Q746-F749 PolarHBondContact O-N 3.05Å; Q747-F749 PolarHBondContact O-N 2.79Å; F749-T753 HydrophobicContact CD1-CG2 4.31Å; F749-T753 HydrophobicContact CE1-CG2 3.93Å; F749-T753 HydrophobicContact CZ-CG2 4.15Å; F749-T753 WeakPolarHBondContact O-CB 3.29Å; F749-T753 PolarHBondContact O-N 2.83Å; F749-T753 PolarHBondContact O-OG1 3.26Å |
| 750 | Q | 46.6 | Very low | 41.3 | Very low | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -50 | 175.6 | -174.2 | 171.7 | -9.8 | 0 | 0 | 111.5 | Q746 Q747 L752 T753 E754 | Q746-Q750 VanDerWaalsContact O-CB 3.28Å; Q746-Q750 WeakPolarHBondContact O-CB 3.15Å; Q746-Q750 PolarHBondContact O-N 3.29Å; Q747-Q750 PolarHBondContact O-N 3.35Å; Q750-L752 VanDerWaalsContact C-N 3.31Å; Q750-L752 PolarHBondContact O-N 3.17Å; Q750-T753 WeakPolarHBondContact CA-OG1 3.5Å; Q750-T753 PolarHBondContact O-N 2.76Å; Q750-T753 VanDerWaalsContact O-N 3.16Å; Q750-T753 PolarHBondContact O-OG1 2.82Å; Q750-E754 HydrophobicContact CG-CG 4.45Å; Q750-E754 WeakPolarHBondContact CG-OE1 3.22Å; Q750-E754 PolarHBondContact NE2-OE1 3.27Å; Q750-E754 WeakPolarHBondContact O-CB 3.41Å; Q750-E754 WeakPolarHBondContact O-CG 3.45Å; Q750-E754 PolarHBondContact O-N 3.45Å |
| 751 | L | 46.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 103.2 Ų | 103.2 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 176.6 | -82 | 165.7 | 0 | 0 | 0 | 112.9 | Q747 R755 | Q747-L751 WeakPolarHBondContact O-CB 3.44Å; Q747-L751 PolarHBondContact O-N 2.89Å; L751-R755 WeakPolarHBondContact O-CB 3.39Å; L751-R755 WeakPolarHBondContact O-CG 3.33Å; L751-R755 PolarHBondContact O-N 2.86Å; L751-R755 VanDerWaalsContact O-N 3.12Å |
| 752 | L | 39 | Very low | 40.5 | Very low | 124 Ų | 124 | 105 Ų | 105 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 174.3 | -78.8 | 168 | 0 | 0 | 0 | 111.8 | A748 Q750 H756 | A748-L752 WeakPolarHBondContact O-CB 3.45Å; A748-L752 VanDerWaalsContact O-CG 3.3Å; A748-L752 WeakPolarHBondContact O-CG 3.21Å; A748-L752 PolarHBondContact O-N 3Å; Q750-L752 VanDerWaalsContact C-N 3.31Å; Q750-L752 PolarHBondContact O-N 3.17Å; L752-H756 WeakPolarHBondContact O-CB 3.46Å; L752-H756 PolarHBondContact O-N 2.9Å |
| 753 | T | 43 | Very low | 39.9 | Very low | 51 Ų | 51 | 110.6 Ų | 110.6 | 31% | 0.313 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.4 | -40.3 | 179 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | F749 Q750 H756 Q757 | F749-T753 HydrophobicContact CD1-CG2 4.31Å; F749-T753 HydrophobicContact CE1-CG2 3.93Å; F749-T753 HydrophobicContact CZ-CG2 4.15Å; F749-T753 WeakPolarHBondContact O-CB 3.29Å; F749-T753 PolarHBondContact O-N 2.83Å; F749-T753 PolarHBondContact O-OG1 3.26Å; Q750-T753 WeakPolarHBondContact CA-OG1 3.5Å; Q750-T753 PolarHBondContact O-N 2.76Å; Q750-T753 VanDerWaalsContact O-N 3.16Å; Q750-T753 PolarHBondContact O-OG1 2.82Å; T753-H756 PolarHBondContact O-N 2.86Å; T753-Q757 WeakPolarHBondContact O-CB 3.25Å; T753-Q757 VanDerWaalsContact O-CG 3.3Å; T753-Q757 WeakPolarHBondContact O-CG 3.41Å; T753-Q757 PolarHBondContact O-N 3.14Å |
| 754 | E | 46.5 | Very low | 39.5 | Very low | 101 Ų | 101 | 111.9 Ų | 111.9 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.9 | -45.5 | 174.4 | -73.5 | 174.7 | -170.9 | 0 | 0 | 112 | Q750 Q757 S758 | Q750-E754 HydrophobicContact CG-CG 4.45Å; Q750-E754 WeakPolarHBondContact CG-OE1 3.22Å; Q750-E754 PolarHBondContact NE2-OE1 3.27Å; Q750-E754 WeakPolarHBondContact O-CB 3.41Å; Q750-E754 WeakPolarHBondContact O-CG 3.45Å; Q750-E754 PolarHBondContact O-N 3.45Å; E754-Q757 PolarHBondContact O-N 2.92Å; E754-S758 PolarHBondContact O-N 3.27Å |
| 755 | R | 36.6 | Very low | 39.2 | Very low | 186 Ų | 186 | 112.7 Ų | 112.7 | 70% | 0.702 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.9 | -30.8 | 175.5 | -72.9 | -176.8 | 172.9 | -177.6 | -1.7 | 113.3 | L751 Q757 S758 V759 | L751-R755 WeakPolarHBondContact O-CB 3.39Å; L751-R755 WeakPolarHBondContact O-CG 3.33Å; L751-R755 PolarHBondContact O-N 2.86Å; L751-R755 VanDerWaalsContact O-N 3.12Å; R755-Q757 VanDerWaalsContact C-N 3.34Å; R755-S758 PolarHBondContact O-OG 2.76Å; R755-S758 VanDerWaalsContact O-OG 3.05Å; R755-V759 WeakPolarHBondContact O-CG2 3.42Å; R755-V759 PolarHBondContact O-N 2.8Å |
| 756 | H | 38.5 | Very low | 38.8 | Very low | 134 Ų | 134 | 112.4 Ų | 112.4 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.6 | -34 | 172.2 | -131.3 | -56.7 | 0 | 0 | 0 | 112 | L752 T753 L760 | L752-H756 WeakPolarHBondContact O-CB 3.46Å; L752-H756 PolarHBondContact O-N 2.9Å; T753-H756 PolarHBondContact O-N 2.86Å; H756-L760 WeakPolarHBondContact O-CD1 3.39Å; H756-L760 VanDerWaalsContact O-CG 3.31Å; H756-L760 WeakPolarHBondContact O-CG 3.47Å; H756-L760 PolarHBondContact O-N 3.25Å |
| 757 | Q | 38.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 115.5 Ų | 115.5 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.7 | -24.1 | 177.2 | -73.2 | -178.8 | 25.9 | 0 | 0 | 113.9 | T753 E754 R755 K761 | T753-Q757 WeakPolarHBondContact O-CB 3.25Å; T753-Q757 VanDerWaalsContact O-CG 3.3Å; T753-Q757 WeakPolarHBondContact O-CG 3.41Å; T753-Q757 PolarHBondContact O-N 3.14Å; E754-Q757 PolarHBondContact O-N 2.92Å; R755-Q757 VanDerWaalsContact C-N 3.34Å; Q757-K761 WeakPolarHBondContact O-CD 3.39Å; Q757-K761 WeakPolarHBondContact O-CG 3.32Å |
| 758 | S | 44 | Very low | 37.4 | Very low | 70 Ų | 70 | 117 Ų | 117 | 49% | 0.49 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75.8 | -41.1 | 174.5 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | E754 R755 L760 K761 | E754-S758 PolarHBondContact O-N 3.27Å; R755-S758 PolarHBondContact O-OG 2.76Å; R755-S758 VanDerWaalsContact O-OG 3.05Å; S758-L760 VanDerWaalsContact C-N 3.28Å; S758-L760 PolarHBondContact O-N 2.81Å; S758-K761 PolarHBondContact O-N 2.85Å |
| 759 | V | 36.8 | Very low | 37.1 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.1 | -33.1 | 176 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | R755 K761 | R755-V759 WeakPolarHBondContact O-CG2 3.42Å; R755-V759 PolarHBondContact O-N 2.8Å; V759-K761 PolarHBondContact O-N 3.38Å |
| 760 | L | 34.1 | Very low | 36.5 | Very low | 138 Ų | 138 | 119 Ų | 119 | 72% | 0.723 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 4.4 | 177.5 | -73.1 | 169.8 | 0 | 0 | 0 | 114.9 | H756 S758 | H756-L760 WeakPolarHBondContact O-CD1 3.39Å; H756-L760 VanDerWaalsContact O-CG 3.31Å; H756-L760 WeakPolarHBondContact O-CG 3.47Å; H756-L760 PolarHBondContact O-N 3.25Å; S758-L760 VanDerWaalsContact C-N 3.28Å; S758-L760 PolarHBondContact O-N 2.81Å |
| 761 | K | 37 | Very low | 35.8 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 70% | 0.696 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 9 | -175.8 | -75.4 | 176.3 | -179.3 | 176.3 | 0 | 115.5 | Q757 S758 V759 | Q757-K761 WeakPolarHBondContact O-CD 3.39Å; Q757-K761 WeakPolarHBondContact O-CG 3.32Å; S758-K761 PolarHBondContact O-N 2.85Å; V759-K761 PolarHBondContact O-N 3.38Å |
| 762 | M | 31 | Very low | 34.9 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 83% | 0.833 | 61% | 0.612 | S | S | * | * | trans | -106.8 | 125.3 | 177.5 | -70.1 | -167.8 | 170.7 | 0 | 0 | 113.1 | ||||
| 763 | N | 29.3 | Very low | 34.5 | Very low | 161 Ų | 161 | 117.1 Ų | 117.1 | 86% | 0.861 | 60% | 0.603 | S | S | * | * | trans | -110.6 | 116.5 | 169.3 | -57.1 | -60.5 | 0 | 0 | 0 | 107.8 | ||||
| 764 | P | 32.4 | Very low | 33.8 | Very low | 111 Ų | 111 | 118 Ų | 118 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | -150.1 | 176.1 | 100.5 | 36.6 | -18.8 | 0 | 0 | 0 | 113.9 | |||||
| 765 | S | 30.9 | Very low | 33 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | cis | -166.6 | -42.3 | -34.5 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 766 | S | 31 | Very low | 32.6 | Very low | 42 Ų | 42 | 112.6 Ų | 112.6 | 29% | 0.294 | 60% | 0.596 | S | S | . | * | trans | -92.4 | 117.6 | -169.6 | 36.7 | 0 | 0 | 0 | 0 | 112.9 | E768 E769 V770 | S766-E768 VanDerWaalsContact C-N 3.29Å; S766-E768 PolarHBondContact O-N 3.38Å; S766-E768 VanDerWaalsContact O-N 3.1Å; S766-E769 WeakPolarHBondContact CB-OE2 3.2Å; S766-E769 PolarHBondContact O-N 3.31Å; S766-E769 VanDerWaalsContact O-N 3.13Å; S766-E769 PolarHBondContact OG-OE2 2.98Å; S766-V770 WeakPolarHBondContact O-CB 3.49Å; S766-V770 VanDerWaalsContact O-CG2 3.28Å; S766-V770 WeakPolarHBondContact O-CG2 3.42Å; S766-V770 PolarHBondContact O-N 2.79Å | ||
| 767 | K | 30.3 | Very low | 32.1 | Very low | 173 Ų | 173 | 110.9 Ų | 110.9 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.8 | -29 | -169.5 | -76.3 | -172.4 | 175.5 | -178 | 0 | 116 | S771 | K767-S771 PolarHBondContact O-N 2.89Å |
| 768 | E | 30.8 | Very low | 31.5 | Very low | 162 Ų | 162 | 110.8 Ų | 110.8 | 76% | 0.757 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -88.2 | -19.9 | -178.9 | -61.6 | -173.4 | 145 | 0 | 0 | 113.6 | S766 S771 | S766-E768 VanDerWaalsContact C-N 3.29Å; S766-E768 PolarHBondContact O-N 3.38Å; S766-E768 VanDerWaalsContact O-N 3.1Å; E768-S771 PolarHBondContact O-OG 2.72Å; E768-S771 VanDerWaalsContact O-OG 3.05Å |
| 769 | E | 31.9 | Very low | 30.6 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84.6 | -31.1 | 166.5 | -63 | 178.6 | 109.8 | 0 | 0 | 110.2 | S766 S771 K772 T773 | S766-E769 WeakPolarHBondContact CB-OE2 3.2Å; S766-E769 PolarHBondContact O-N 3.31Å; S766-E769 VanDerWaalsContact O-N 3.13Å; S766-E769 PolarHBondContact OG-OE2 2.98Å; E769-S771 VanDerWaalsContact C-N 3.33Å; E769-S771 PolarHBondContact O-N 3.06Å; E769-K772 CarbonylContact O-C 3.57Å; E769-K772 PolarHBondContact O-N 2.92Å; E769-T773 WeakPolarHBondContact O-CB 3.3Å; E769-T773 WeakPolarHBondContact O-CG2 3.41Å; E769-T773 PolarHBondContact O-N 2.9Å; E769-T773 PolarHBondContact O-OG1 2.97Å |
| 770 | V | 31.9 | Very low | 30.1 | Very low | 54 Ų | 54 | 114.7 Ų | 114.7 | 33% | 0.327 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.6 | -36.8 | 171 | 167 | 0 | 0 | 0 | 0 | 111.9 | S766 T773 L774 | S766-V770 WeakPolarHBondContact O-CB 3.49Å; S766-V770 VanDerWaalsContact O-CG2 3.28Å; S766-V770 WeakPolarHBondContact O-CG2 3.42Å; S766-V770 PolarHBondContact O-N 2.79Å; V770-T773 WeakPolarHBondContact CA-OG1 3.35Å; V770-T773 PolarHBondContact O-N 3.3Å; V770-T773 PolarHBondContact O-OG1 3.42Å; V770-L774 HydrophobicContact CG1-CD1 3.64Å; V770-L774 HydrophobicContact CG1-CG 4.16Å; V770-L774 WeakPolarHBondContact O-CB 3.47Å; V770-L774 WeakPolarHBondContact O-CG 3.38Å; V770-L774 PolarHBondContact O-N 3.1Å |
| 771 | S | 30.9 | Very low | 29.6 | Very low | 68 Ų | 68 | 112.1 Ų | 112.1 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.2 | -38.9 | 172.4 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | K767 E768 E769 T773 S775 | K767-S771 PolarHBondContact O-N 2.89Å; E768-S771 PolarHBondContact O-OG 2.72Å; E768-S771 VanDerWaalsContact O-OG 3.05Å; E769-S771 VanDerWaalsContact C-N 3.33Å; E769-S771 PolarHBondContact O-N 3.06Å; S771-T773 VanDerWaalsContact C-N 3.29Å; S771-T773 PolarHBondContact O-N 2.8Å; S771-S775 WeakPolarHBondContact O-CB 3.45Å; S771-S775 PolarHBondContact O-N 3.47Å; S771-S775 VanDerWaalsContact O-N 3.11Å; S771-S775 PolarHBondContact O-OG 3.25Å |
| 772 | K | 28.7 | Very low | 29.1 | Very low | 151 Ų | 151 | 112.2 Ų | 112.2 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72 | -15.5 | 175.2 | -71.5 | 178.6 | 179.2 | 174.3 | 0 | 114.5 | E769 S775 I776 | E769-K772 CarbonylContact O-C 3.57Å; E769-K772 PolarHBondContact O-N 2.92Å; K772-S775 PolarHBondContact O-OG 3.34Å; K772-I776 VanDerWaalsContact O-CD1 3.28Å; K772-I776 WeakPolarHBondContact O-CD1 3.49Å; K772-I776 WeakPolarHBondContact O-CG1 3.49Å |
| 773 | T | 29.7 | Very low | 28.8 | Very low | 75 Ų | 75 | 109.7 Ų | 109.7 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -103.7 | -34.9 | 175.7 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | E769 V770 S771 S775 I776 V777 | E769-T773 WeakPolarHBondContact O-CB 3.3Å; E769-T773 WeakPolarHBondContact O-CG2 3.41Å; E769-T773 PolarHBondContact O-N 2.9Å; E769-T773 PolarHBondContact O-OG1 2.97Å; V770-T773 WeakPolarHBondContact CA-OG1 3.35Å; V770-T773 PolarHBondContact O-N 3.3Å; V770-T773 PolarHBondContact O-OG1 3.42Å; S771-T773 VanDerWaalsContact C-N 3.29Å; S771-T773 PolarHBondContact O-N 2.8Å; T773-S775 PolarHBondContact O-N 3.08Å; T773-I776 CarbonylContact O-C 3.19Å; T773-I776 WeakPolarHBondContact O-CA 3.39Å; T773-I776 WeakPolarHBondContact O-CB 3.46Å; T773-I776 PolarHBondContact O-N 2.73Å; T773-V777 WeakPolarHBondContact O-CG2 3.33Å; T773-V777 PolarHBondContact O-N 2.99Å |
| 774 | L | 28.7 | Very low | 28.5 | Very low | 70 Ų | 70 | 108 Ų | 108 | 37% | 0.366 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.5 | -32.7 | 166.9 | -76.2 | 170 | 0 | 0 | 0 | 111.9 | T723 T724 V770 I776 V777 | T723-L774 WeakPolarHBondContact CG2-O 3.06Å; T724-L774 HydrophobicContact CG2-CD2 4.35Å; V770-L774 HydrophobicContact CG1-CD1 3.64Å; V770-L774 HydrophobicContact CG1-CG 4.16Å; V770-L774 WeakPolarHBondContact O-CB 3.47Å; V770-L774 WeakPolarHBondContact O-CG 3.38Å; V770-L774 PolarHBondContact O-N 3.1Å; L774-I776 PolarHBondContact O-N 3.04Å; L774-V777 PolarHBondContact O-N 2.95Å |
| 775 | S | 29.7 | Very low | 28.2 | Very low | 49 Ų | 49 | 108.5 Ų | 108.5 | 34% | 0.343 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28 | 172.6 | 69.8 | 0 | 0 | 0 | 0 | 113.4 | S771 K772 T773 | S771-S775 WeakPolarHBondContact O-CB 3.45Å; S771-S775 PolarHBondContact O-N 3.47Å; S771-S775 VanDerWaalsContact O-N 3.11Å; S771-S775 PolarHBondContact O-OG 3.25Å; K772-S775 PolarHBondContact O-OG 3.34Å; T773-S775 PolarHBondContact O-N 3.08Å |
| 776 | I | 28.7 | Very low | 27.8 | Very low | 124 Ų | 124 | 110.8 Ų | 110.8 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -33.2 | 178.8 | -60.9 | 173.5 | 0 | 0 | 0 | 111.3 | K772 T773 L774 R778 | K772-I776 VanDerWaalsContact O-CD1 3.28Å; K772-I776 WeakPolarHBondContact O-CD1 3.49Å; K772-I776 WeakPolarHBondContact O-CG1 3.49Å; T773-I776 CarbonylContact O-C 3.19Å; T773-I776 WeakPolarHBondContact O-CA 3.39Å; T773-I776 WeakPolarHBondContact O-CB 3.46Å; T773-I776 PolarHBondContact O-N 2.73Å; L774-I776 PolarHBondContact O-N 3.04Å; I776-R778 PolarHBondContact O-N 3.3Å; I776-R778 VanDerWaalsContact O-N 3.07Å |
| 777 | V | 27.1 | Very low | 27.5 | Very low | 98 Ų | 98 | 112.7 Ų | 112.7 | 59% | 0.594 | 54% | 0.544 | S | S | * | . | trans | -87.3 | 49.4 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | T773 L774 A779 | T773-V777 WeakPolarHBondContact O-CG2 3.33Å; T773-V777 PolarHBondContact O-N 2.99Å; L774-V777 PolarHBondContact O-N 2.95Å; V777-A779 PolarHBondContact O-N 3.45Å | ||
| 778 | R | 25.9 | Very low | 27.1 | Very low | 112 Ų | 112 | 105 Ų | 105 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | trans | -86.8 | 114.1 | 177.6 | -146.4 | 179.5 | -166.5 | -174.3 | 8.6 | 110.9 | N722 T723 I776 | N722-R778 PolarHBondContact ND2-NH1 3.33Å; N722-R778 PolarHBondContact OD1-NH1 3.45Å; T723-R778 HydrophobicContact CG2-CB 4.26Å; T723-R778 HydrophobicContact CG2-CG 3.88Å; I776-R778 PolarHBondContact O-N 3.3Å; I776-R778 VanDerWaalsContact O-N 3.07Å | ||
| 779 | A | 26.7 | Very low | 26.9 | Very low | 81 Ų | 81 | 100.8 Ų | 100.8 | 67% | 0.669 | 50% | 0.5 | S | S | * | . | trans | -47.1 | 147.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | V777 K781 | V777-A779 PolarHBondContact O-N 3.45Å; A779-K781 PolarHBondContact O-N 3.03Å; A779-K781 VanDerWaalsContact O-N 3.14Å | ||
| 780 | F | 25.2 | Very low | 26.6 | Very low | 180 Ų | 180 | 101 Ų | 101 | 79% | 0.789 | 50% | 0.501 | S | S | * | . | trans | -42.9 | 106.5 | -172.9 | -55.8 | -87.5 | 0 | 0 | 0 | 115 | Y782 | F780-Y782 HydrophobicContact CB-CE2 4.37Š| ||
| 781 | K | 24.6 | Very low | 26.3 | Very low | 85 Ų | 85 | 103.7 Ų | 103.7 | 37% | 0.37 | 51% | 0.512 | S | S | . | . | trans | -88 | 107.3 | 170.7 | -66.7 | -170.2 | -176.7 | -172.3 | 0 | 111.2 | E663 A779 Y783 | E663-K781 WeakPolarHBondContact OE1-CE 3.45Å; E663-K781 IonicContact OE1-NZ 3.3Å; E663-K781 PolarHBondContact OE1-NZ 3.11Å; A779-K781 PolarHBondContact O-N 3.03Å; A779-K781 VanDerWaalsContact O-N 3.14Å; K781-Y783 HydrophobicContact CB-CD2 4.11Å; K781-Y783 HydrophobicContact CB-CE2 3.59Å; K781-Y783 HydrophobicContact CD-CE2 4.15Å; K781-Y783 WeakPolarHBondContact CD-OH 3.47Å; K781-Y783 WeakPolarHBondContact O-CD2 3.35Å; K781-Y783 PolarHBondContact O-N 3.12Å | ||
| 782 | Y | 26.2 | Very low | 26.1 | Very low | 162 Ų | 162 | 104.3 Ų | 104.3 | 64% | 0.635 | 52% | 0.522 | S | S | * | . | trans | -76.9 | 117.5 | 166.9 | -68.3 | -88.4 | 0 | 0 | 0 | 109.7 | F780 | F780-Y782 HydrophobicContact CB-CE2 4.37Š| ||
| 783 | Y | 24.5 | Very low | 26 | Very low | 116 Ų | 116 | 101.2 Ų | 101.2 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | trans | -102 | 114.7 | -179.7 | -77.1 | -87.5 | 0 | 0 | 0 | 111.6 | K781 | K781-Y783 HydrophobicContact CB-CD2 4.11Å; K781-Y783 HydrophobicContact CB-CE2 3.59Å; K781-Y783 HydrophobicContact CD-CE2 4.15Å; K781-Y783 WeakPolarHBondContact CD-OH 3.47Å; K781-Y783 WeakPolarHBondContact O-CD2 3.35Å; K781-Y783 PolarHBondContact O-N 3.12Å | ||
| 784 | W | 23.5 | Very low | 25.8 | Very low | 125 Ų | 125 | 98.9 Ų | 98.9 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | trans | -81.6 | 145.6 | 163.5 | -68 | 76.3 | 0 | 0 | 0 | 109.6 | R664 L796 W798 | R664-W784 WeakPolarHBondContact CD-O 3.49Å; W784-L796 HydrophobicContact CE3-CD2 3.64Å; W784-L796 HydrophobicContact CZ3-CD2 3.77Å; W784-W798 AromaticContact CE2-CZ2 3.93Å; W784-W798 AromaticContact CE2-NE1 3.85Å; W784-W798 AromaticContact CE3-NE1 3.89Å; W784-W798 AromaticContact CH2-CD1 3.48Å; W784-W798 VanDerWaalsContact CH2-CD1 3.48Å; W784-W798 HydrophobicContact CH2-CD2 4.33Å; W784-W798 AromaticContact CH2-CE2 3.57Å; W784-W798 HydrophobicContact CH2-CG 4.27Å; W784-W798 HydrophobicContact CH2-CZ2 4.09Å; W784-W798 AromaticContact CH2-NE1 2.98Å; W784-W798 HydrophobicContact CZ2-CD2 4.49Å; W784-W798 AromaticContact CZ2-CE2 3.47Å; W784-W798 VanDerWaalsContact CZ2-CE2 3.47Å; W784-W798 HydrophobicContact CZ2-CH2 4.49Å; W784-W798 AromaticContact CZ2-CZ2 3.47Å; W784-W798 HydrophobicContact CZ2-CZ2 3.47Å; W784-W798 VanDerWaalsContact CZ2-CZ2 3.47Å; W784-W798 AromaticContact CZ2-NE1 3.28Å; W784-W798 VanDerWaalsContact CZ2-NE1 3.28Å; W784-W798 AromaticContact CZ3-CD1 3.66Å; W784-W798 AromaticContact CZ3-NE1 3.3Å; W784-W798 VanDerWaalsContact CZ3-NE1 3.3Å | ||
| 785 | F | 25 | Very low | 25.5 | Very low | 122 Ų | 122 | 100 Ų | 100 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | trans | -125.9 | 122.6 | -179.5 | -118.1 | -102.9 | 0 | 0 | 0 | 109.9 | R664 Q795 | R664-F785 VanDerWaalsContact NH1-CD1 3.25Å; F785-Q795 PolarHBondContact O-OE1 3.27Å; F785-Q795 VanDerWaalsContact O-OE1 3.1Å | ||
| 786 | W | 22.9 | Very low | 25.3 | Very low | 151 Ų | 151 | 103.4 Ų | 103.4 | 57% | 0.572 | 53% | 0.528 | S | S | * | . | trans | -87.7 | 116.4 | 174.5 | -154.6 | 37.9 | 0 | 0 | 0 | 109 | R664 S794 | R664-W786 PolarHBondContact NH2-O 3.16Å; R664-W786 VanDerWaalsContact NH2-O 3.12Å; W786-S794 PolarHBondContact NE1-O 2.92Å | ||
| 787 | C | 24.6 | Very low | 24.9 | Very low | 82 Ų | 82 | 105.1 Ų | 105.1 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | trans | -129.2 | 152.7 | 174.4 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | Q795 | C787-Q795 WeakPolarHBondContact O-CG 3.45Å; C787-Q795 PolarHBondContact O-NE2 2.75Å; C787-Q795 PolarHBondContact O-OE1 2.83Å | ||
| 788 | N | 22.7 | Very low | 24.8 | Very low | 12 Ų | 12 | 107.1 Ų | 107.1 | 6% | 0.064 | 54% | 0.535 | C | S | . | . | trans | -134.1 | -45.8 | -133 | -108.5 | -27.6 | 0 | 0 | 0 | 118.6 | S794 F1418 | N788-S794 WeakPolarHBondContact O-CB 3.35Å; N788-S794 VanDerWaalsContact OD1-CB 3.31Å; N788-S794 WeakPolarHBondContact OD1-CB 3.27Å; N788-S794 PolarHBondContact OD1-OG 3.39Å; N788-F1418 HydrophobicContact CB-CB 3.89Å; N788-F1418 HydrophobicContact CB-CD1 3.38Å; N788-F1418 HydrophobicContact CB-CD2 4.02Å; N788-F1418 HydrophobicContact CB-CE1 3.71Å; N788-F1418 HydrophobicContact CB-CE2 4.32Å; N788-F1418 HydrophobicContact CB-CG 3.54Å; N788-F1418 HydrophobicContact CB-CZ 4.16Å; N788-F1418 VanDerWaalsContact CG-CD1 3.4Å; N788-F1418 WeakPolarHBondContact O-CD2 3.2Å; N788-F1418 WeakPolarHBondContact O-CE2 3.46Å; N788-F1418 WeakPolarHBondContact OD1-CE1 3.21Å; N788-F1418 WeakPolarHBondContact OD1-CZ 3.4Å | ||
| 789 | S | 26.2 | Very low | 24.6 | Very low | 73 Ų | 73 | 105.5 Ų | 105.5 | 51% | 0.51 | 55% | 0.545 | S | S | . | . | trans | 38.9 | 110.7 | 164.5 | 55.1 | 0 | 0 | 0 | 0 | 118.8 | I791 F1418 | S789-I791 VanDerWaalsContact C-N 3.3Å; S789-I791 PolarHBondContact O-N 3.28Å; S789-F1418 VanDerWaalsContact C-CD2 3.49Å | ||
| 790 | H | 25.4 | Very low | 24.6 | Very low | 131 Ų | 131 | 106.4 Ų | 106.4 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -69 | 61.8 | -164.3 | -74.9 | -67.6 | 0 | 0 | 0 | 117.3 | P1417 F1418 | H790-P1417 HydrophobicContact CB-CB 4.46Å; H790-P1417 VanDerWaalsContact CD2-CB 3.44Å; H790-P1417 WeakPolarHBondContact CD2-CB 3.44Å; H790-F1418 HydrophobicContact CB-CD2 4.14Å; H790-F1418 AromaticContact CE1-CD2 3.6Å; H790-F1418 AromaticContact CE1-CG 3.52Å; H790-F1418 AromaticContact CG-CD2 3.52Å; H790-F1418 AromaticContact ND1-CD2 3.18Å; H790-F1418 WeakPolarHBondContact ND1-CD2 3.29Å; H790-F1418 AromaticContact ND1-CE2 3.81Å; H790-F1418 AromaticContact ND1-CG 3.63Å; H790-F1418 WeakPolarHBondContact NE2-CA 3.25Å; H790-F1418 WeakPolarHBondContact NE2-CB 3.38Å; H790-F1418 AromaticContact NE2-CG 3.89Å; H790-F1418 PolarHBondContact NE2-N 2.93Å; H790-F1418 VanDerWaalsContact NE2-N 3.11Å |
| 791 | I | 26.3 | Very low | 24.6 | Very low | 110 Ų | 110 | 102.3 Ų | 102.3 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -132.1 | 158.2 | 159.8 | -70.7 | 95.3 | 0 | 0 | 0 | 107 | S789 | S789-I791 VanDerWaalsContact C-N 3.3Å; S789-I791 PolarHBondContact O-N 3.28Å |
| 792 | A | 25.5 | Very low | 24.6 | Very low | 82 Ų | 82 | 105.5 Ų | 105.5 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -59.3 | 139.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 793 | A | 27.4 | Very low | 24.8 | Very low | 86 Ų | 86 | 101 Ų | 101 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | trans | 67.9 | 70.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q795 | A793-Q795 PolarHBondContact O-N 3.27Š| ||
| 794 | S | 24.7 | Very low | 24.9 | Very low | 26 Ų | 26 | 102.2 Ų | 102.2 | 18% | 0.182 | 58% | 0.583 | C | S | . | * | trans | -66.5 | 99.3 | 166.4 | 48.8 | 0 | 0 | 0 | 0 | 113.5 | W786 N788 | W786-S794 PolarHBondContact NE1-O 2.92Å; N788-S794 WeakPolarHBondContact O-CB 3.35Å; N788-S794 VanDerWaalsContact OD1-CB 3.31Å; N788-S794 WeakPolarHBondContact OD1-CB 3.27Å; N788-S794 PolarHBondContact OD1-OG 3.39Å | ||
| 795 | Q | 23.6 | Very low | 25.3 | Very low | 93 Ų | 93 | 103.2 Ų | 103.2 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | trans | 70.2 | 121.7 | 151.4 | -52.1 | -176.7 | -27.2 | 0 | 0 | 119.8 | F785 C787 A793 | F785-Q795 PolarHBondContact O-OE1 3.27Å; F785-Q795 VanDerWaalsContact O-OE1 3.1Å; C787-Q795 WeakPolarHBondContact O-CG 3.45Å; C787-Q795 PolarHBondContact O-NE2 2.75Å; C787-Q795 PolarHBondContact O-OE1 2.83Å; A793-Q795 PolarHBondContact O-N 3.27Å | ||
| 796 | L | 24.5 | Very low | 25.4 | Very low | 121 Ų | 121 | 100.4 Ų | 100.4 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | -158.9 | 102.7 | 117.4 | -111.1 | 163.1 | 0 | 0 | 0 | 110.7 | W784 W798 | W784-L796 HydrophobicContact CE3-CD2 3.64Å; W784-L796 HydrophobicContact CZ3-CD2 3.77Å; L796-W798 PolarHBondContact O-N 3.27Å; L796-W798 VanDerWaalsContact O-N 3.14Å | |||
| 797 | L | 21.1 | Very low | 25.6 | Very low | 159 Ų | 159 | 97.8 Ų | 97.8 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | trans | -79.1 | 96 | 178.5 | -166.9 | 144.6 | 0 | 0 | 0 | 109.8 | ||||
| 798 | W | 24.2 | Very low | 25.9 | Very low | 141 Ų | 141 | 97.1 Ų | 97.1 | 53% | 0.534 | 59% | 0.586 | S | S | . | * | trans | -123.8 | 129.8 | 166.9 | -81.6 | 61.6 | 0 | 0 | 0 | 108.6 | W784 L796 | W784-W798 AromaticContact CE2-CZ2 3.93Å; W784-W798 AromaticContact CE2-NE1 3.85Å; W784-W798 AromaticContact CE3-NE1 3.89Å; W784-W798 AromaticContact CH2-CD1 3.48Å; W784-W798 VanDerWaalsContact CH2-CD1 3.48Å; W784-W798 HydrophobicContact CH2-CD2 4.33Å; W784-W798 AromaticContact CH2-CE2 3.57Å; W784-W798 HydrophobicContact CH2-CG 4.27Å; W784-W798 HydrophobicContact CH2-CZ2 4.09Å; W784-W798 AromaticContact CH2-NE1 2.98Å; W784-W798 HydrophobicContact CZ2-CD2 4.49Å; W784-W798 AromaticContact CZ2-CE2 3.47Å; W784-W798 VanDerWaalsContact CZ2-CE2 3.47Å; W784-W798 HydrophobicContact CZ2-CH2 4.49Å; W784-W798 AromaticContact CZ2-CZ2 3.47Å; W784-W798 HydrophobicContact CZ2-CZ2 3.47Å; W784-W798 VanDerWaalsContact CZ2-CZ2 3.47Å; W784-W798 AromaticContact CZ2-NE1 3.28Å; W784-W798 VanDerWaalsContact CZ2-NE1 3.28Å; W784-W798 AromaticContact CZ3-CD1 3.66Å; W784-W798 AromaticContact CZ3-NE1 3.3Å; W784-W798 VanDerWaalsContact CZ3-NE1 3.3Å; L796-W798 PolarHBondContact O-N 3.27Å; L796-W798 VanDerWaalsContact O-N 3.14Å | ||
| 799 | A | 22.5 | Very low | 26.1 | Very low | 77 Ų | 77 | 101.3 Ų | 101.3 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | trans | -81.1 | -169.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 800 | I | 26.2 | Very low | 26.3 | Very low | 101 Ų | 101 | 103.2 Ų | 103.2 | 52% | 0.518 | 62% | 0.619 | S | S | . | * | trans | 90.7 | 126.5 | 174.9 | -52.9 | 159.9 | 0 | 0 | 0 | 113.9 | ||||
| 801 | P | 24.6 | Very low | 26.6 | Very low | 94 Ų | 94 | 100 Ų | 100 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | cis | -145.9 | 123 | -29.7 | 37.3 | -16.4 | 0 | 0 | 0 | 115.1 | ||||
| 802 | T | 26 | Very low | 26.7 | Very low | 152 Ų | 152 | 98.8 Ų | 98.8 | 93% | 0.933 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -146.8 | 74.1 | 166 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 803 | G | 28.5 | Very low | 26.7 | Very low | 68 Ų | 68 | 100.9 Ų | 100.9 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 153.7 | 167.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q805 | G803-Q805 VanDerWaalsContact C-N 3.3Å; G803-Q805 PolarHBondContact O-N 3.05Å |
| 804 | C | 28 | Very low | 26.8 | Very low | 141 Ų | 141 | 102 Ų | 102 | 95% | 0.953 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -86.8 | 12.8 | -170.7 | -55.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 805 | Q | 30.8 | Very low | 27 | Very low | 145 Ų | 145 | 105.5 Ų | 105.5 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | trans | -127.1 | 104.5 | -175.6 | -66.6 | 178.8 | -8.5 | 0 | 0 | 109.2 | G803 | G803-Q805 VanDerWaalsContact C-N 3.3Å; G803-Q805 PolarHBondContact O-N 3.05Å | ||
| 806 | A | 27.7 | Very low | 27.1 | Very low | 64 Ų | 64 | 110.2 Ų | 110.2 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | trans | -125.6 | 120.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 807 | V | 27.8 | Very low | 27.2 | Very low | 96 Ų | 96 | 110.4 Ų | 110.4 | 58% | 0.582 | 65% | 0.65 | S | S | * | * | trans | -80.8 | 134.4 | 171.3 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 808 | T | 29.5 | Very low | 27.4 | Very low | 67 Ų | 67 | 110.3 Ų | 110.3 | 41% | 0.411 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.9 | 178.3 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | S861 | T808-S861 PolarHBondContact N-O 3.05Å; T808-S861 PolarHBondContact O-N 3.49Å; T808-S861 PolarHBondContact O-OG 3.17Å; T808-S861 PolarHBondContact OG1-OG 3.49Å |
| 809 | C | 28.6 | Very low | 27.4 | Very low | 101 Ų | 101 | 108.4 Ų | 108.4 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.7 | 170.9 | -71.1 | 0 | 0 | 0 | 0 | 109.8 | A860 | C809-A860 VanDerWaalsContact SG-CB 3.6Å |
| 810 | L | 29.2 | Very low | 27.6 | Very low | 113 Ų | 113 | 109.8 Ų | 109.8 | 59% | 0.592 | 66% | 0.662 | S | S | * | * | trans | -115.8 | 136.7 | 179.2 | -78.5 | 164.9 | 0 | 0 | 0 | 110.2 | ||||
| 811 | A | 31.2 | Very low | 27.7 | Very low | 62 Ų | 62 | 111.6 Ų | 111.6 | 51% | 0.512 | 68% | 0.677 | S | S | . | * | trans | 28.9 | 129 | 161.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | E813 | A811-E813 PolarHBondContact O-N 3.43Š| ||
| 812 | V | 28.7 | Very low | 27.7 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 52% | 0.521 | 69% | 0.692 | S | S | . | * | trans | -63.2 | 124.5 | 167 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | V814 | V812-V814 HydrophobicContact CG1-CG2 4.19Š| ||
| 813 | E | 27 | Very low | 27.7 | Very low | 125 Ų | 125 | 112 Ų | 112 | 58% | 0.584 | 68% | 0.678 | S | S | * | * | trans | -79.2 | 130.2 | 171.5 | -169.7 | -179.3 | -117 | 0 | 0 | 110.9 | A811 | A811-E813 PolarHBondContact O-N 3.43Š| ||
| 814 | V | 29.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 116 Ų | 116 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | trans | -129 | 100.4 | 174.8 | -178 | 0 | 0 | 0 | 0 | 108.8 | V812 Y816 | V812-V814 HydrophobicContact CG1-CG2 4.19Å; V814-Y816 PolarHBondContact O-N 3.41Å | ||
| 815 | P | 28.2 | Very low | 27.4 | Very low | 99 Ų | 99 | 115.7 Ų | 115.7 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | trans | -67.1 | 122.9 | 176.5 | -22.1 | 34.3 | 0 | 0 | 0 | 111.8 | ||||
| 816 | Y | 25.2 | Very low | 27.1 | Very low | 191 Ų | 191 | 114 Ų | 114 | 75% | 0.749 | 68% | 0.679 | S | S | * | * | trans | -79.9 | 128 | 163.4 | -104.2 | -103.6 | 0 | 0 | 0 | 109.4 | V814 I818 | V814-Y816 PolarHBondContact O-N 3.41Å; Y816-I818 HydrophobicContact CD1-CG1 4.27Å | ||
| 817 | T | 27.4 | Very low | 27 | Very low | 125 Ų | 125 | 116.8 Ų | 116.8 | 77% | 0.767 | 69% | 0.69 | S | S | * | * | trans | -110.7 | 108.4 | 164.4 | 51.8 | 0 | 0 | 0 | 0 | 109.4 | S819 | T817-S819 PolarHBondContact O-N 3.45Š| ||
| 818 | I | 24.5 | Very low | 26.8 | Very low | 157 Ų | 157 | 118.9 Ų | 118.9 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | trans | -92.9 | 86.9 | -174.7 | -57.2 | 170.6 | 0 | 0 | 0 | 108.8 | Y816 | Y816-I818 HydrophobicContact CD1-CG1 4.27Š| ||
| 819 | S | 24.9 | Very low | 26.6 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | -161 | 76 | -180 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | T817 | T817-S819 PolarHBondContact O-N 3.45Š| ||
| 820 | S | 27 | Very low | 26.4 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -172.1 | -24.1 | 157.7 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | L822 | S820-L822 PolarHBondContact O-N 3.26Š|
| 821 | V | 26.9 | Very low | 26.2 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -80.8 | 44.8 | -175.3 | -161.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 822 | L | 24.9 | Very low | 25.9 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -145.7 | 40.8 | 175.4 | -81.2 | -175.9 | 0 | 0 | 0 | 113.7 | S820 | S820-L822 PolarHBondContact O-N 3.26Š|
| 823 | A | 26.5 | Very low | 25.7 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 75% | 0.745 | S | S | * | * | trans | -159.7 | 108.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 824 | N | 25.8 | Very low | 25.7 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | 56.8 | 90.7 | 90.9 | -66.7 | -8.9 | 0 | 0 | 0 | 111.9 | |||||
| 825 | V | 25.1 | Very low | 25.6 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | 103.5 | 142.4 | 89.6 | 150.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 826 | P | 24.7 | Very low | 25.5 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | -102.6 | 163.2 | -155 | 39.2 | -35.2 | 0 | 0 | 0 | 114.7 | ||||
| 827 | T | 25.1 | Very low | 25.5 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -172.8 | 125.7 | 133.1 | 35.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 828 | D | 23.2 | Very low | 25.6 | Very low | 139 Ų | 139 | 129 Ų | 129 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | 47.3 | 141.2 | 123 | -44.4 | -28 | 0 | 0 | 0 | 123.7 | |||||
| 829 | D | 24.7 | Very low | 25.7 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | 78.3 | 136.9 | 142.2 | -72.4 | -15.2 | 0 | 0 | 0 | 125.6 | ||||
| 830 | S | 24.7 | Very low | 25.8 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 92 | 102.4 | 140.3 | 69.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 831 | M | 24.8 | Very low | 25.8 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | 82.1 | 128.1 | 112.7 | -76.5 | 179.8 | 146.7 | 0 | 0 | 123.9 | |||||
| 832 | E | 24.8 | Very low | 25.8 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | 71.9 | 153.9 | 129.8 | -66.7 | -177.4 | 179.4 | 0 | 0 | 121.5 | |||||
| 833 | T | 24.9 | Very low | 25.8 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | cis | -160.7 | -161.2 | -26.6 | 31.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 834 | V | 27.5 | Very low | 25.8 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | 79.3 | 99 | 169 | -170.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 835 | S | 26.4 | Very low | 25.9 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | 72.9 | 144.6 | 51.8 | 90.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 836 | T | 26.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | cis | -142.4 | 147.7 | 9.6 | 35.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 837 | D | 25.5 | Very low | 25.7 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | 41.5 | 118.9 | 129.7 | -37.6 | -29.7 | 0 | 0 | 0 | 120.3 | |||||
| 838 | D | 28.5 | Very low | 25.7 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | -166.8 | 129 | 97.9 | -99.7 | -23.6 | 0 | 0 | 0 | 113.5 | |||||
| 839 | Q | 27.6 | Very low | 25.7 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | trans | 34.3 | 107.8 | 149 | -50.1 | -157.2 | -79.8 | 0 | 0 | 119.3 | ||||
| 840 | E | 26.2 | Very low | 25.8 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | 107.1 | 131.6 | 77.5 | -86.6 | 155.8 | -142.1 | 0 | 0 | 109.7 | |||||
| 841 | D | 27.2 | Very low | 25.7 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | cis | -147 | 143.1 | 10.7 | -134 | -5.8 | 0 | 0 | 0 | 114 | ||||
| 842 | L | 25.9 | Very low | 25.7 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | 41.4 | 120 | 153.3 | -63.4 | 158.2 | 0 | 0 | 0 | 119.9 | ||||
| 843 | A | 26.7 | Very low | 25.8 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 60% | 0.603 | 73% | 0.73 | S | S | * | * | cis | -177.1 | 131 | 13.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 844 | N | 25.8 | Very low | 25.8 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | 75.2 | 152.4 | 143 | -54.5 | -10.6 | 0 | 0 | 0 | 122 | ||||
| 845 | D | 27.8 | Very low | 25.7 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | 54.3 | 75.2 | 167.6 | -57.7 | -8 | 0 | 0 | 0 | 115.6 | ||||
| 846 | S | 23.8 | Very low | 25.9 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | cis | 54.5 | 90.5 | 46 | 156.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 847 | R | 22 | Very low | 26 | Very low | 219 Ų | 219 | 144.7 Ų | 144.7 | 83% | 0.826 | 70% | 0.696 | S | S | * | * | 73.7 | 134.5 | 92.5 | -77.2 | -174.7 | 179.9 | 176.1 | 2.5 | 115.1 | |||||
| 848 | H | 24.5 | Very low | 26.6 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | trans | 108.9 | 145.4 | 158.4 | -63.9 | -73.4 | 0 | 0 | 0 | 119.1 | ||||
| 849 | L | 23.5 | Very low | 26.8 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 66% | 0.655 | S | S | * | * | trans | 65 | 99.7 | 165.8 | -69.4 | 159.5 | 0 | 0 | 0 | 117.6 | H851 | L849-H851 PolarHBondContact O-N 2.81Š| ||
| 850 | H | 26.1 | Very low | 27.3 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 83% | 0.829 | 63% | 0.63 | S | S | * | * | trans | -36.4 | 123.8 | 134.3 | -60.1 | -92.5 | 0 | 0 | 0 | 110.6 | ||||
| 851 | H | 23.5 | Very low | 27.8 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 74% | 0.741 | 61% | 0.605 | S | S | * | * | trans | 167.8 | 136.5 | 133.2 | -87.8 | -58.8 | 0 | 0 | 0 | 110.1 | L849 | L849-H851 PolarHBondContact O-N 2.81Š| ||
| 852 | N | 24.6 | Very low | 28.3 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | trans | 70.1 | 157.2 | 169.1 | -42.7 | -55.9 | 0 | 0 | 0 | 115.4 | ||||
| 853 | R | 25.8 | Very low | 28.6 | Very low | 181 Ų | 181 | 118.7 Ų | 118.7 | 68% | 0.683 | 57% | 0.573 | S | S | * | * | cis | -162 | 139.8 | -25.9 | -106.8 | 165.3 | -134.9 | -174.5 | 5.8 | 103.9 | ||||
| 854 | Y | 25 | Very low | 28.9 | Very low | 182 Ų | 182 | 119.3 Ų | 119.3 | 71% | 0.714 | 57% | 0.566 | S | S | * | * | cis | -139.3 | 134.4 | 23 | -63.2 | -95.8 | 0 | 0 | 0 | 110.5 | K856 | Y854-K856 PolarHBondContact O-N 2.83Å; Y854-K856 VanDerWaalsContact O-N 3.12Å | ||
| 855 | R | 26.1 | Very low | 29.1 | Very low | 198 Ų | 198 | 115.2 Ų | 115.2 | 75% | 0.747 | 56% | 0.558 | S | S | * | * | trans | -61.9 | 108.5 | 162.2 | -74.8 | 175.1 | 170.2 | 162.3 | -4.8 | 108.2 | R857 | R855-R857 HydrophobicContact CB-CG 4.49Å; R855-R857 PolarHBondContact O-N 3.21Å; R855-R857 VanDerWaalsContact O-N 3.11Å | ||
| 856 | K | 31.2 | Very low | 29.6 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 27% | 0.265 | 54% | 0.544 | S | S | . | . | trans | -88.4 | 71.4 | 173.4 | -78.3 | -169 | 175.2 | -178.4 | 0 | 109.5 | Y854 Y858 | Y854-K856 PolarHBondContact O-N 2.83Å; Y854-K856 VanDerWaalsContact O-N 3.12Å; K856-Y858 HydrophobicContact CB-CE2 4.06Å; K856-Y858 WeakPolarHBondContact O-CD2 3.4Å; K856-Y858 WeakPolarHBondContact O-CE2 3.3Å; K856-Y858 PolarHBondContact O-N 2.92Å | ||
| 857 | R | 29.5 | Very low | 30.1 | Very low | 98 Ų | 98 | 114.3 Ų | 114.3 | 37% | 0.37 | 54% | 0.539 | S | S | . | . | trans | -67.2 | 111.4 | 167.3 | -76.9 | 179.2 | 170.8 | -169.8 | -8.3 | 108.9 | R855 L869 L870 | R855-R857 HydrophobicContact CB-CG 4.49Å; R855-R857 PolarHBondContact O-N 3.21Å; R855-R857 VanDerWaalsContact O-N 3.11Å; R857-L869 HydrophobicContact CB-CD2 3.61Å; R857-L869 HydrophobicContact CG-CD2 3.64Å; R857-L870 WeakPolarHBondContact CA-O 3.39Å | ||
| 858 | Y | 36.8 | Very low | 30.7 | Very low | 90 Ų | 90 | 109 Ų | 109 | 35% | 0.353 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 137.7 | 169.8 | -54 | -89.4 | 0 | 0 | 0 | 109.1 | K856 L869 L870 A872 | K856-Y858 HydrophobicContact CB-CE2 4.06Å; K856-Y858 WeakPolarHBondContact O-CD2 3.4Å; K856-Y858 WeakPolarHBondContact O-CE2 3.3Å; K856-Y858 PolarHBondContact O-N 2.92Å; Y858-L869 WeakPolarHBondContact O-CA 3.27Å; Y858-L870 HydrophobicContact CD2-CB 4.09Å; Y858-L870 WeakPolarHBondContact CD2-O 3.34Å; Y858-L870 PolarHBondContact N-O 3.19Å; Y858-L870 PolarHBondContact O-N 3.12Å; Y858-A872 HydrophobicContact CE2-CB 3.8Å |
| 859 | L | 33.9 | Very low | 31.2 | Very low | 60 Ų | 60 | 105.6 Ų | 105.6 | 31% | 0.314 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111 | -175.5 | -149.4 | 163.8 | 0 | 0 | 0 | 107.7 | V867 | L859-V867 HydrophobicContact CD2-CG1 3.69Å; L859-V867 HydrophobicContact CG-CG1 4.17Å |
| 860 | A | 37.9 | Very low | 31.9 | Very low | 16 Ų | 16 | 103.3 Ų | 103.3 | 13% | 0.132 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | C809 V867 L868 | C809-A860 VanDerWaalsContact SG-CB 3.6Å; A860-V867 WeakPolarHBondContact O-CA 3.21Å; A860-L868 HydrophobicContact CB-CB 4.39Å; A860-L868 PolarHBondContact N-O 3.43Å; A860-L868 VanDerWaalsContact N-O 3.13Å; A860-L868 PolarHBondContact O-N 3.07Å |
| 861 | S | 36.4 | Very low | 32.3 | Very low | 26 Ų | 26 | 98.9 Ų | 98.9 | 18% | 0.182 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.2 | 177.5 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | T808 R866 | T808-S861 PolarHBondContact N-O 3.05Å; T808-S861 PolarHBondContact O-N 3.49Å; T808-S861 PolarHBondContact O-OG 3.17Å; T808-S861 PolarHBondContact OG1-OG 3.49Å; S861-R866 WeakPolarHBondContact CA-O 3.38Å |
| 862 | T | 37.2 | Very low | 32.9 | Very low | 32 Ų | 32 | 94.3 Ų | 94.3 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | trans | -84.9 | 163.4 | 166.5 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | D864 G865 R866 | T862-D864 VanDerWaalsContact CB-OD1 3.25Å; T862-D864 WeakPolarHBondContact CB-OD1 3.4Å; T862-D864 VanDerWaalsContact CB-OD2 3.31Å; T862-D864 WeakPolarHBondContact CB-OD2 3.35Å; T862-D864 PolarHBondContact O-N 3.03Å; T862-D864 PolarHBondContact OG1-OD1 3.12Å; T862-D864 PolarHBondContact OG1-OD2 2.63Å; T862-G865 PolarHBondContact O-N 2.79Å; T862-G865 PolarHBondContact OG1-N 3.19Å; T862-R866 HydrophobicContact CG2-CB 4.29Å; T862-R866 PolarHBondContact N-O 2.99Å; T862-R866 VanDerWaalsContact N-O 3.1Å; T862-R866 WeakPolarHBondContact OG1-CB 3.27Å; T862-R866 PolarHBondContact OG1-N 2.85Å; T862-R866 VanDerWaalsContact OG1-N 3.08Å | ||
| 863 | S | 32 | Very low | 33.3 | Very low | 87 Ų | 87 | 94.9 Ų | 94.9 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.5 | 171.6 | 36.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 864 | D | 34.1 | Very low | 33.5 | Very low | 86 Ų | 86 | 90.5 Ų | 90.5 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 17.2 | -178 | 41.4 | -74.3 | 0 | 0 | 0 | 112.7 | T862 R866 | T862-D864 VanDerWaalsContact CB-OD1 3.25Å; T862-D864 WeakPolarHBondContact CB-OD1 3.4Å; T862-D864 VanDerWaalsContact CB-OD2 3.31Å; T862-D864 WeakPolarHBondContact CB-OD2 3.35Å; T862-D864 PolarHBondContact O-N 3.03Å; T862-D864 PolarHBondContact OG1-OD1 3.12Å; T862-D864 PolarHBondContact OG1-OD2 2.63Å; D864-R866 VanDerWaalsContact C-N 3.33Å; D864-R866 PolarHBondContact O-N 2.88Å; D864-R866 WeakPolarHBondContact OD2-CD 3.45Å; D864-R866 IonicContact OD2-NE 3.15Å |
| 865 | G | 30.4 | Very low | 33.7 | Very low | 61 Ų | 61 | 85.2 Ų | 85.2 | 63% | 0.629 | 48% | 0.475 | S | S | * | . | trans | 79.3 | 4.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T862 | T862-G865 PolarHBondContact O-N 2.79Å; T862-G865 PolarHBondContact OG1-N 3.19Å | ||
| 866 | R | 36.8 | Very low | 33.7 | Very low | 133 Ų | 133 | 82.8 Ų | 82.8 | 50% | 0.502 | 47% | 0.467 | S | S | . | . | trans | -80.3 | 131.2 | -179 | -57.9 | 176.3 | 175.2 | 172.3 | -4.8 | 110.4 | S861 T862 D864 I888 | S861-R866 WeakPolarHBondContact CA-O 3.38Å; T862-R866 HydrophobicContact CG2-CB 4.29Å; T862-R866 PolarHBondContact N-O 2.99Å; T862-R866 VanDerWaalsContact N-O 3.1Å; T862-R866 WeakPolarHBondContact OG1-CB 3.27Å; T862-R866 PolarHBondContact OG1-N 2.85Å; T862-R866 VanDerWaalsContact OG1-N 3.08Å; D864-R866 VanDerWaalsContact C-N 3.33Å; D864-R866 PolarHBondContact O-N 2.88Å; D864-R866 WeakPolarHBondContact OD2-CD 3.45Å; D864-R866 IonicContact OD2-NE 3.15Å; R866-I888 HydrophobicContact CG-CD1 4.28Å | ||
| 867 | V | 34.1 | Very low | 33.4 | Very low | 92 Ų | 92 | 86.7 Ų | 86.7 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.8 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | L859 A860 | L859-V867 HydrophobicContact CD2-CG1 3.69Å; L859-V867 HydrophobicContact CG-CG1 4.17Å; A860-V867 WeakPolarHBondContact O-CA 3.21Å |
| 868 | L | 36.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 88 Ų | 88 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.1 | 173.3 | -64.5 | 172.9 | 0 | 0 | 0 | 110.8 | A860 | A860-L868 HydrophobicContact CB-CB 4.39Å; A860-L868 PolarHBondContact N-O 3.43Å; A860-L868 VanDerWaalsContact N-O 3.13Å; A860-L868 PolarHBondContact O-N 3.07Å |
| 869 | L | 34.3 | Very low | 32.7 | Very low | 95 Ų | 95 | 88.1 Ų | 88.1 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.5 | -178.3 | -116.1 | 168.3 | 0 | 0 | 0 | 109.5 | R857 Y858 | R857-L869 HydrophobicContact CB-CD2 3.61Å; R857-L869 HydrophobicContact CG-CD2 3.64Å; Y858-L869 WeakPolarHBondContact O-CA 3.27Å |
| 870 | L | 37.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 91.2 Ų | 91.2 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.6 | 179.8 | -55.9 | 172.1 | 0 | 0 | 0 | 110.7 | R857 Y858 | R857-L870 WeakPolarHBondContact CA-O 3.39Å; Y858-L870 HydrophobicContact CD2-CB 4.09Å; Y858-L870 WeakPolarHBondContact CD2-O 3.34Å; Y858-L870 PolarHBondContact N-O 3.19Å; Y858-L870 PolarHBondContact O-N 3.12Å |
| 871 | D | 34.5 | Very low | 31.7 | Very low | 85 Ų | 85 | 98.3 Ų | 98.3 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | trans | -124.6 | 149.1 | 162.7 | -155.5 | -34.6 | 0 | 0 | 0 | 108.2 | ||||
| 872 | A | 36.6 | Very low | 31.2 | Very low | 65 Ų | 65 | 104.4 Ų | 104.4 | 54% | 0.537 | 60% | 0.596 | S | S | . | * | trans | -116.7 | 2.9 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y858 | Y858-A872 HydrophobicContact CE2-CB 3.8Š| ||
| 873 | N | 33 | Very low | 30.8 | Very low | 130 Ų | 130 | 108.7 Ų | 108.7 | 70% | 0.695 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -114.9 | -15.1 | -164.1 | -78.7 | 13.7 | 0 | 0 | 0 | 116.5 | ||
| 874 | S | 30.9 | Very low | 30.5 | Very low | 88 Ų | 88 | 114.9 Ų | 114.9 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | trans | -96.6 | -28.7 | -167.9 | 60.9 | 0 | 0 | 0 | 0 | 115.9 | Y876 | S874-Y876 WeakPolarHBondContact CB-O 3.35Å; S874-Y876 PolarHBondContact O-N 2.83Å; S874-Y876 PolarHBondContact OG-O 3.02Å | ||
| 875 | G | 27.7 | Very low | 30.2 | Very low | 71 Ų | 71 | 115.6 Ų | 115.6 | 73% | 0.732 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 69.2 | -16.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 876 | Y | 26.3 | Very low | 30 | Very low | 148 Ų | 148 | 118.4 Ų | 118.4 | 58% | 0.58 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -138 | 146.9 | 178.2 | -68.5 | -84.3 | 0 | 0 | 0 | 112.1 | S874 S897 | S874-Y876 WeakPolarHBondContact CB-O 3.35Å; S874-Y876 PolarHBondContact O-N 2.83Å; S874-Y876 PolarHBondContact OG-O 3.02Å; Y876-S897 PolarHBondContact OH-OG 2.91Å |
| 877 | E | 25 | Very low | 29.6 | Very low | 143 Ų | 143 | 121 Ų | 121 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | trans | 19 | 124.8 | 168 | -56.2 | -149.4 | 124.7 | 0 | 0 | 124.7 | ||||
| 878 | V | 25.8 | Very low | 29.2 | Very low | 125 Ų | 125 | 121 Ų | 121 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | 59.9 | 122.8 | 123.2 | -177.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 879 | A | 25.4 | Very low | 28.7 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | trans | -165 | 143.7 | 132.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 880 | L | 25.4 | Very low | 28.3 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | trans | -67.5 | 160.8 | -177.4 | -61.6 | 82.4 | 0 | 0 | 0 | 115 | ||||
| 881 | H | 27 | Very low | 27.6 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 76% | 0.764 | 66% | 0.66 | S | S | * | * | -164.9 | 145.6 | 98.4 | -140.6 | -77.2 | 0 | 0 | 0 | 113.1 | |||||
| 882 | Q | 25 | Very low | 27 | Very low | 154 Ų | 154 | 123 Ų | 123 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | trans | -100.8 | 147.7 | 179.8 | -175.8 | -177.4 | 12.2 | 0 | 0 | 111.3 | ||||
| 883 | V | 28.6 | Very low | 26.6 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | trans | -146.6 | 74.9 | 170.4 | -170.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 884 | Y | 26.5 | Very low | 26.1 | Very low | 217 Ų | 217 | 124.7 Ų | 124.7 | 85% | 0.851 | 68% | 0.675 | S | S | * | * | trans | 59 | 148.4 | 166.8 | -55.6 | -84.5 | 0 | 0 | 0 | 117.5 | ||||
| 885 | S | 27 | Very low | 26 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | cis | -134 | 178.9 | 16.6 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 886 | P | 26 | Very low | 25.8 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -94.3 | -3.3 | -135.7 | 35.7 | -40 | 0 | 0 | 0 | 120.8 | I888 | P886-I888 PolarHBondContact O-N 3.1Š| ||
| 887 | E | 28.1 | Very low | 25.7 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 88% | 0.879 | 68% | 0.678 | S | S | * | * | trans | -92.3 | 18 | -159.8 | -60.9 | -174.5 | 158 | 0 | 0 | 117.6 | ||||
| 888 | I | 27.4 | Very low | 25.7 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 47% | 0.467 | 67% | 0.674 | S | S | . | * | trans | -131.8 | 123.2 | -175.7 | -56 | -178.1 | 0 | 0 | 0 | 112.6 | R866 P886 | R866-I888 HydrophobicContact CG-CD1 4.28Å; P886-I888 PolarHBondContact O-N 3.1Å | ||
| 889 | E | 24.3 | Very low | 25.7 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 46% | 0.463 | 68% | 0.678 | S | S | . | * | trans | -64.5 | 135.3 | 177.7 | -160.6 | -150.2 | 129.4 | 0 | 0 | 112.5 | K891 A919 | E889-K891 VanDerWaalsContact OE1-CD 3.27Å; E889-K891 WeakPolarHBondContact OE1-CD 3.47Å; E889-K891 WeakPolarHBondContact OE1-CG 3.46Å; E889-A919 WeakPolarHBondContact OE1-CB 3.44Å | ||
| 890 | V | 25.7 | Very low | 25.8 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 66% | 0.655 | 68% | 0.681 | S | S | * | * | trans | -125.6 | 120.9 | -176.4 | 179.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 891 | K | 23.4 | Very low | 25.9 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 38% | 0.383 | 68% | 0.679 | S | S | . | * | trans | -113.2 | 102.1 | -170.9 | -61.8 | 171.5 | 66.5 | -157.5 | 0 | 112.5 | E889 L893 V918 A919 | E889-K891 VanDerWaalsContact OE1-CD 3.27Å; E889-K891 WeakPolarHBondContact OE1-CD 3.47Å; E889-K891 WeakPolarHBondContact OE1-CG 3.46Å; K891-L893 PolarHBondContact O-N 3.02Å; K891-V918 HydrophobicContact CD-CG1 3.81Å; K891-A919 HydrophobicContact CD-CB 4.02Å; K891-A919 HydrophobicContact CG-CB 3.89Å | ||
| 892 | F | 22.9 | Very low | 25.9 | Very low | 143 Ų | 143 | 129 Ų | 129 | 63% | 0.627 | 68% | 0.682 | S | S | * | * | trans | -55.3 | 131.5 | 172.7 | -63 | -90.5 | 0 | 0 | 0 | 112.7 | R1006 | F892-R1006 PolarHBondContact O-NH2 3.42Å; F892-R1006 VanDerWaalsContact O-NH2 3.1Å | ||
| 893 | L | 26.9 | Very low | 26 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | trans | -128.1 | 125.4 | 169.1 | -85.4 | 164.9 | 0 | 0 | 0 | 108.8 | K891 | K891-L893 PolarHBondContact O-N 3.02Š| ||
| 894 | S | 23.9 | Very low | 26 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | trans | -90.7 | 121.3 | 173 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | L896 | S894-L896 PolarHBondContact O-N 2.9Š| ||
| 895 | F | 27.7 | Very low | 26.2 | Very low | 179 Ų | 179 | 123.6 Ų | 123.6 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -85.8 | 105.8 | -176.2 | -68.8 | -87.8 | 0 | 0 | 0 | 111.3 | ||||
| 896 | L | 24.5 | Very low | 26.3 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | trans | -68.6 | 134.6 | 164.4 | -80.4 | 163.9 | 0 | 0 | 0 | 109.9 | S894 N898 | S894-L896 PolarHBondContact O-N 2.9Å; L896-N898 PolarHBondContact O-N 3.38Å | ||
| 897 | S | 23.2 | Very low | 26.5 | Very low | 53 Ų | 53 | 116.6 Ų | 116.6 | 37% | 0.371 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | 94.1 | -175.2 | 42.5 | 0 | 0 | 0 | 0 | 112.1 | Y876 | Y876-S897 PolarHBondContact OH-OG 2.91Š|
| 898 | N | 24.5 | Very low | 26.6 | Very low | 107 Ų | 107 | 114.2 Ų | 114.2 | 57% | 0.572 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.1 | -13.3 | 152.9 | -95.1 | -40.8 | 0 | 0 | 0 | 115.6 | L896 R1328 | L896-N898 PolarHBondContact O-N 3.38Å; N898-R1328 PolarHBondContact ND2-NH2 2.83Å |
| 899 | N | 27 | Very low | 26.6 | Very low | 160 Ų | 160 | 112.4 Ų | 112.4 | 86% | 0.856 | 63% | 0.632 | S | S | * | * | trans | -97.4 | 132.1 | -170 | -66.9 | 2.7 | 0 | 0 | 0 | 113.5 | ||||
| 900 | T | 27.1 | Very low | 26.7 | Very low | 135 Ų | 135 | 110.4 Ų | 110.4 | 83% | 0.828 | 63% | 0.629 | S | S | * | * | trans | -124.3 | 0.8 | -173.5 | 50.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 901 | E | 26.9 | Very low | 26.7 | Very low | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | trans | -110.5 | 90.8 | -173.1 | -64 | -172 | 178.1 | 0 | 0 | 112.3 | ||||
| 902 | C | 28.4 | Very low | 26.9 | Very low | 124 Ų | 124 | 109 Ų | 109 | 84% | 0.838 | 62% | 0.624 | S | S | * | * | trans | -153.1 | 81.8 | 175.3 | -87.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 903 | L | 26.2 | Very low | 27 | Very low | 151 Ų | 151 | 108.3 Ų | 108.3 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | trans | 169 | 96.4 | 154.4 | -98.4 | 164.6 | 0 | 0 | 0 | 110.3 | ||||
| 904 | T | 29.7 | Very low | 27 | Very low | 130 Ų | 130 | 106.7 Ų | 106.7 | 80% | 0.798 | 63% | 0.626 | S | S | * | * | trans | -135 | 144.1 | 167.7 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 905 | C | 30.3 | Very low | 27 | Very low | 99 Ų | 99 | 107.2 Ų | 107.2 | 67% | 0.669 | 63% | 0.625 | S | S | * | * | trans | -93.6 | 145.3 | -175.1 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 906 | G | 28.7 | Very low | 26.9 | Very low | 10 Ų | 10 | 105.7 Ų | 105.7 | 10% | 0.103 | 63% | 0.625 | C | S | . | * | trans | -68.8 | 164.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N908 G909 S910 | G906-N908 PolarHBondContact O-N 3.11Å; G906-G909 PolarHBondContact O-N 3.36Å; G906-G909 VanDerWaalsContact O-N 3.11Å; G906-S910 PolarHBondContact N-O 3Å | ||
| 907 | S | 30.8 | Very low | 26.9 | Very low | 63 Ų | 63 | 104.1 Ų | 104.1 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.8 | -26.3 | 176.1 | 49.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 908 | N | 29.1 | Very low | 26.9 | Very low | 138 Ų | 138 | 103.2 Ų | 103.2 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 6.5 | -170.7 | -54.7 | 10 | 0 | 0 | 0 | 112.6 | G906 S910 | G906-N908 PolarHBondContact O-N 3.11Å; N908-S910 PolarHBondContact O-N 3.17Å |
| 909 | G | 27.7 | Very low | 26.9 | Very low | 53 Ų | 53 | 98.3 Ų | 98.3 | 55% | 0.546 | 59% | 0.591 | S | S | . | * | S | Bend | trans | 73.5 | -0.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G906 | G906-G909 PolarHBondContact O-N 3.36Å; G906-G909 VanDerWaalsContact O-N 3.11Å |
| 910 | S | 25.7 | Very low | 26.8 | Very low | 58 Ų | 58 | 93.9 Ų | 93.9 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | trans | -69.2 | 132.1 | 170.5 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | G906 N908 V912 | G906-S910 PolarHBondContact N-O 3Å; N908-S910 PolarHBondContact O-N 3.17Å; S910-V912 PolarHBondContact O-N 3.2Å | ||
| 911 | L | 25.9 | Very low | 26.6 | Very low | 98 Ų | 98 | 91.3 Ų | 91.3 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | trans | -77.1 | 92.3 | 172.6 | -159.4 | 163.8 | 0 | 0 | 0 | 107.5 | I913 | L911-I913 VanDerWaalsContact C-N 3.31Å; L911-I913 HydrophobicContact CD2-CD1 4.35Å; L911-I913 HydrophobicContact CD2-CG1 3.63Å; L911-I913 PolarHBondContact O-N 2.73Å | ||
| 912 | V | 28 | Very low | 26.4 | Very low | 69 Ų | 69 | 90.3 Ų | 90.3 | 42% | 0.418 | 54% | 0.541 | S | S | . | . | trans | -71.9 | 88.2 | -178 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | S910 S914 | S910-V912 PolarHBondContact O-N 3.2Å; V912-S914 PolarHBondContact O-N 3.49Å | ||
| 913 | I | 24.3 | Very low | 26.2 | Very low | 127 Ų | 127 | 88 Ų | 88 | 65% | 0.651 | 53% | 0.526 | S | S | * | . | trans | -71.3 | 89 | 161.2 | -56.5 | 173 | 0 | 0 | 0 | 105.8 | L911 T915 | L911-I913 VanDerWaalsContact C-N 3.31Å; L911-I913 HydrophobicContact CD2-CD1 4.35Å; L911-I913 HydrophobicContact CD2-CG1 3.63Å; L911-I913 PolarHBondContact O-N 2.73Å; I913-T915 VanDerWaalsContact C-N 3.32Å; I913-T915 HydrophobicContact CG2-CG2 4.31Å; I913-T915 PolarHBondContact O-N 3.48Å | ||
| 914 | S | 26.7 | Very low | 25.9 | Very low | 105 Ų | 105 | 87.2 Ų | 87.2 | 73% | 0.734 | 52% | 0.523 | S | S | * | . | trans | -67.5 | 94.6 | 171.4 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | V912 L916 | V912-S914 PolarHBondContact O-N 3.49Å; S914-L916 PolarHBondContact O-N 3.16Å; S914-L916 VanDerWaalsContact O-N 3.13Å | ||
| 915 | T | 25.2 | Very low | 25.6 | Very low | 103 Ų | 103 | 89.5 Ų | 89.5 | 63% | 0.632 | 53% | 0.525 | S | S | * | . | trans | -64.5 | 108 | -172.6 | 46 | 0 | 0 | 0 | 0 | 112 | I913 V918 | I913-T915 VanDerWaalsContact C-N 3.32Å; I913-T915 HydrophobicContact CG2-CG2 4.31Å; I913-T915 PolarHBondContact O-N 3.48Å; T915-V918 HydrophobicContact CG2-CG2 4.32Å | ||
| 916 | L | 24.3 | Very low | 25.3 | Very low | 147 Ų | 147 | 92.5 Ų | 92.5 | 77% | 0.77 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 144.4 | 139.9 | -85.5 | 168.7 | 0 | 0 | 0 | 108.7 | S914 V918 | S914-L916 PolarHBondContact O-N 3.16Å; S914-L916 VanDerWaalsContact O-N 3.13Å; L916-V918 WeakPolarHBondContact O-CG2 3.38Å; L916-V918 PolarHBondContact O-N 3.3Å |
| 917 | P | 24.6 | Very low | 25 | Very low | 128 Ų | 128 | 99.6 Ų | 99.6 | 83% | 0.831 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -47 | 138.5 | 175 | -30.6 | 36.6 | 0 | 0 | 0 | 112.9 | ||
| 918 | V | 24.1 | Very low | 24.7 | Very low | 34 Ų | 34 | 104.5 Ų | 104.5 | 21% | 0.206 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -101.3 | 138.9 | -159.2 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | K891 T915 L916 I1004 | K891-V918 HydrophobicContact CD-CG1 3.81Å; T915-V918 HydrophobicContact CG2-CG2 4.32Å; L916-V918 WeakPolarHBondContact O-CG2 3.38Å; L916-V918 PolarHBondContact O-N 3.3Å; V918-I1004 HydrophobicContact CB-CD1 3.87Å; V918-I1004 HydrophobicContact CB-CG1 3.83Å; V918-I1004 HydrophobicContact CG1-CD1 3.62Å; V918-I1004 HydrophobicContact CG1-CG1 3.97Å; V918-I1004 HydrophobicContact CG1-CG2 4.19Å; V918-I1004 WeakPolarHBondContact O-CG1 3.27Å; V918-I1004 VanDerWaalsContact O-CG2 3.3Å; V918-I1004 WeakPolarHBondContact O-CG2 3.28Å |
| 919 | A | 24.1 | Very low | 24.6 | Very low | 5 Ų | 5 | 100.4 Ų | 100.4 | 4% | 0.041 | 55% | 0.552 | C | S | . | * | trans | 29.3 | -140.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E889 K891 I1004 R1005 R1006 | E889-A919 WeakPolarHBondContact OE1-CB 3.44Å; K891-A919 HydrophobicContact CD-CB 4.02Å; K891-A919 HydrophobicContact CG-CB 3.89Å; A919-I1004 HydrophobicContact CB-CG2 3.72Å; A919-R1005 CarbonylContact O-C 3.59Å; A919-R1005 WeakPolarHBondContact O-CA 3.44Å; A919-R1005 PolarHBondContact O-N 3.17Å; A919-R1005 VanDerWaalsContact O-N 3.11Å; A919-R1006 WeakPolarHBondContact O-CG 3.47Å | ||
| 920 | E | 24.8 | Very low | 24.4 | Very low | 66 Ų | 66 | 105.8 Ų | 105.8 | 31% | 0.308 | 56% | 0.557 | S | S | . | * | cis | -56.3 | -138.3 | -38.7 | -102.7 | 176.3 | 107.7 | 0 | 0 | 111.5 | I1004 R1005 R1006 | E920-I1004 HydrophobicContact CB-CG2 4.2Å; E920-I1004 VanDerWaalsContact CB-O 3.29Å; E920-I1004 WeakPolarHBondContact CB-O 3.43Å; E920-I1004 HydrophobicContact CG-CG2 3.96Å; E920-I1004 VanDerWaalsContact N-CG2 3.27Å; E920-I1004 PolarHBondContact N-O 3.42Å; E920-I1004 VanDerWaalsContact N-O 3.15Å; E920-I1004 VanDerWaalsContact OE2-O 3.1Å; E920-R1005 HydrophobicContact CB-CB 4.48Å; E920-R1005 HydrophobicContact CB-CG 3.89Å; E920-R1005 IonicContact OE1-CZ 3.44Å; E920-R1005 IonicContact OE1-NH1 2.83Å; E920-R1005 PolarHBondContact OE1-NH1 3.11Å; E920-R1005 IonicContact OE1-NH2 3.6Å; E920-R1005 PolarHBondContact OE1-NH2 2.98Å; E920-R1005 IonicContact OE2-CZ 3.21Å; E920-R1005 IonicContact OE2-NE 3.32Å; E920-R1005 IonicContact OE2-NH1 3.57Å; E920-R1005 PolarHBondContact OE2-NH1 3.24Å; E920-R1005 IonicContact OE2-NH2 3.19Å; E920-R1006 WeakPolarHBondContact O-CD 3.44Å; E920-R1006 WeakPolarHBondContact O-CG 3.38Å; E920-R1006 PolarHBondContact O-NH1 3.3Å | ||
| 921 | E | 22.7 | Very low | 24.3 | Very low | 81 Ų | 81 | 106.7 Ų | 106.7 | 38% | 0.379 | 56% | 0.557 | S | S | . | * | trans | -106.3 | -146.2 | -171.7 | -45.9 | 80.8 | -175 | 0 | 0 | 112 | R1005 | E921-R1005 IonicContact OE2-CZ 3.47Å; E921-R1005 IonicContact OE2-NH2 2.79Å; E921-R1005 PolarHBondContact OE2-NH2 3.37Å | ||
| 922 | I | 23.9 | Very low | 24.2 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 55% | 0.549 | 56% | 0.563 | S | S | . | * | cis | -129.1 | 151.2 | 32.4 | -67.5 | 165.7 | 0 | 0 | 0 | 112 | ||||
| 923 | S | 22.3 | Very low | 24 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 53% | 0.531 | 58% | 0.577 | S | S | . | * | trans | 48.8 | 145.7 | 164.4 | 90.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 924 | N | 21.2 | Very low | 24 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | cis | 67 | 137.7 | 27.5 | -66.5 | 10.4 | 0 | 0 | 0 | 115.4 | ||||
| 925 | E | 23.2 | Very low | 23.9 | Very low | 178 Ų | 178 | 112.5 Ų | 112.5 | 83% | 0.832 | 58% | 0.577 | S | S | * | * | trans | 55.6 | 133 | -175.2 | -70.1 | 117.6 | -119 | 0 | 0 | 114.9 | ||||
| 926 | E | 24.1 | Very low | 23.9 | Very low | 162 Ų | 162 | 113.3 Ų | 113.3 | 76% | 0.757 | 58% | 0.577 | S | S | * | * | cis | -136.8 | 172.5 | -14 | -89.3 | -138.7 | 91 | 0 | 0 | 107.8 | ||||
| 927 | F | 22.7 | Very low | 24 | Very low | 158 Ų | 158 | 113 Ų | 113 | 69% | 0.693 | 57% | 0.572 | S | S | * | * | cis | 98.8 | 120.9 | 22.7 | -90.5 | -62.1 | 0 | 0 | 0 | 117.2 | ||||
| 928 | F | 23.2 | Very low | 24.1 | Very low | 167 Ų | 167 | 113.3 Ų | 113.3 | 73% | 0.732 | 56% | 0.562 | S | S | * | * | trans | 64.5 | -175.7 | 164.5 | -58.3 | -63.9 | 0 | 0 | 0 | 117.8 | ||||
| 929 | P | 27.5 | Very low | 24.2 | Very low | 51 Ų | 51 | 117.7 Ų | 117.7 | 33% | 0.331 | 58% | 0.584 | S | S | . | * | -141.6 | -158.1 | -97.8 | 46 | -25.3 | 0 | 0 | 0 | 114.3 | L956 D957 A958 | P929-L956 CarbonylContact C-O 3.06Å; P929-D957 CarbonylContact O-C 3.52Å; P929-A958 CarbonylContact O-C 3.37Å; P929-A958 WeakPolarHBondContact O-CA 3.06Å; P929-A958 PolarHBondContact O-N 3.04Å | |||
| 930 | Y | 23.8 | Very low | 24.3 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 66% | 0.655 | 61% | 0.614 | S | S | * | * | trans | 24 | 132.6 | 155.6 | -66.1 | -81.4 | 0 | 0 | 0 | 120.9 | L956 D957 | Y930-L956 HydrophobicContact CD1-CD2 3.56Å; Y930-L956 HydrophobicContact CE1-CD2 4.04Å; Y930-L956 HydrophobicContact CG-CD2 4.37Å; Y930-L956 PolarHBondContact N-O 3.39Å; Y930-D957 CarbonylContact C-O 3.12Å; Y930-D957 WeakPolarHBondContact CA-O 3.49Å; Y930-D957 PolarHBondContact N-O 3.47Å | ||
| 931 | D | 22.7 | Very low | 24.3 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 41% | 0.412 | 63% | 0.625 | S | S | . | * | cis | -167.5 | 146.4 | 4.3 | 166.4 | 50.2 | 0 | 0 | 0 | 113.9 | L956 D957 | D931-L956 HydrophobicContact CB-CD2 3.76Å; D931-L956 WeakPolarHBondContact OD1-CD2 3.22Å; D931-D957 WeakPolarHBondContact CA-O 3.26Å; D931-D957 PolarHBondContact N-O 3.42Å | ||
| 932 | K | 23.9 | Very low | 24.4 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | trans | 70.8 | 175.2 | 156.6 | -102.7 | 176.3 | -143.6 | 71.2 | 0 | 120.5 | ||||
| 933 | I | 25 | Very low | 24.5 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | trans | 75.7 | 112.8 | 165.4 | -65.1 | 137.1 | 0 | 0 | 0 | 115.3 | ||||
| 934 | I | 23.8 | Very low | 24.6 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | cis | 92 | 135.3 | 43.3 | -66.4 | 159 | 0 | 0 | 0 | 112.8 | ||||
| 935 | S | 24.2 | Very low | 24.8 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | trans | 73.6 | 143.5 | 164.6 | 70.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 936 | N | 25.1 | Very low | 25 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 65% | 0.647 | 64% | 0.644 | S | S | * | * | cis | -164.1 | 169.9 | -2.2 | -123.9 | 23.2 | 0 | 0 | 0 | 113.3 | ||||
| 937 | H | 27.6 | Very low | 25.2 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 65% | 0.653 | 63% | 0.631 | S | S | * | * | trans | 70 | 134.7 | 158.7 | -57.4 | -51.6 | 0 | 0 | 0 | 118.9 | ||||
| 938 | E | 26 | Very low | 25.2 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | cis | -171.3 | 159.4 | -19.6 | -133.3 | 171.2 | -128.9 | 0 | 0 | 112.4 | ||||
| 939 | N | 25.5 | Very low | 25.4 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 67% | 0.674 | 62% | 0.621 | S | S | * | * | trans | 64.7 | 142.7 | 161.7 | -47.7 | -35.7 | 0 | 0 | 0 | 116.9 | ||||
| 940 | D | 26.6 | Very low | 25.3 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | cis | -166.4 | 157.3 | -4.8 | -125 | 48.6 | 0 | 0 | 0 | 107.6 | ||||
| 941 | T | 25.5 | Very low | 25.3 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 53% | 0.534 | 65% | 0.646 | S | S | . | * | cis | -164.3 | -178.3 | -19.7 | 21.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 942 | F | 25.5 | Very low | 25.4 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.803 | 67% | 0.665 | S | S | * | * | trans | 64.3 | 97.8 | 165.8 | -56.2 | -66.8 | 0 | 0 | 0 | 117.6 | ||||
| 943 | H | 24.7 | Very low | 25.4 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 63% | 0.625 | 67% | 0.665 | S | S | * | * | cis | 88.1 | 104.9 | 29.4 | -156 | -49.4 | 0 | 0 | 0 | 114.3 | ||||
| 944 | F | 25.1 | Very low | 25.4 | Very low | 166 Ų | 166 | 136 Ų | 136 | 73% | 0.728 | 67% | 0.666 | S | S | * | * | 177.1 | 121.5 | 118.7 | -103.4 | -72.4 | 0 | 0 | 0 | 114.5 | |||||
| 945 | D | 25.2 | Very low | 25.4 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | trans | 16.9 | 139.8 | 140.3 | -54 | -8.9 | 0 | 0 | 0 | 119.8 | Y947 | D945-Y947 HydrophobicContact CB-CD2 4.44Š| ||
| 946 | Y | 27.2 | Very low | 25.5 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 75% | 0.745 | 65% | 0.653 | S | S | * | * | -148 | 120 | 62.7 | -118.1 | -106.2 | 0 | 0 | 0 | 117.4 | |||||
| 947 | Y | 27.8 | Very low | 25.5 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 49% | 0.494 | 66% | 0.657 | S | S | . | * | trans | 53.9 | 138.6 | 133.5 | -76 | -121.7 | 0 | 0 | 0 | 121.9 | D945 | D945-Y947 HydrophobicContact CB-CD2 4.44Š| ||
| 948 | R | 24.2 | Very low | 25.4 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 64% | 0.638 | 65% | 0.649 | S | S | * | * | cis | -173.5 | 159.1 | -18 | -124.9 | -169 | -160.4 | 170 | 6 | 109.6 | ||||
| 949 | N | 25.6 | Very low | 25.5 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | trans | 64.7 | 145 | 148.1 | -66.9 | 6.2 | 0 | 0 | 0 | 119.4 | ||||
| 950 | H | 26.6 | Very low | 25.7 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 68% | 0.676 | 66% | 0.655 | S | S | * | * | cis | -142.6 | 143.9 | -20.1 | -80 | -69.9 | 0 | 0 | 0 | 104.3 | ||||
| 951 | R | 22.8 | Very low | 25.6 | Very low | 218 Ų | 218 | 128.2 Ų | 128.2 | 82% | 0.823 | 66% | 0.655 | S | S | * | * | 51.1 | 138.9 | 61.1 | -72.4 | -165.4 | 179.5 | -170.7 | 0.8 | 112.3 | |||||
| 952 | D | 26.3 | Very low | 25.7 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | -132.5 | 162.8 | 52.1 | -71 | -40.6 | 0 | 0 | 0 | 117.5 | |||||
| 953 | S | 22.4 | Very low | 25.7 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 64% | 0.643 | 66% | 0.661 | S | S | * | * | trans | -157.4 | 127.7 | 174.2 | 58.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 954 | C | 25.3 | Very low | 25.8 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 73% | 0.73 | 67% | 0.666 | S | S | * | * | trans | -134.5 | 121.4 | 171.6 | -73.1 | 0 | 0 | 0 | 0 | 106.6 | L956 | C954-L956 HydrophobicContact CB-CD1 4.42Š| ||
| 955 | N | 25 | Very low | 25.8 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 67% | 0.667 | S | S | * | * | 71.2 | 164.6 | 82.5 | -67.9 | 12 | 0 | 0 | 0 | 110.5 | |||||
| 956 | L | 25.2 | Very low | 25.9 | Very low | 62 Ų | 62 | 127.1 Ų | 127.1 | 33% | 0.325 | 67% | 0.67 | S | S | . | * | cis | -150.3 | 141.8 | 27.4 | -62 | 64.1 | 0 | 0 | 0 | 110.2 | P929 Y930 D931 C954 | P929-L956 CarbonylContact C-O 3.06Å; Y930-L956 HydrophobicContact CD1-CD2 3.56Å; Y930-L956 HydrophobicContact CE1-CD2 4.04Å; Y930-L956 HydrophobicContact CG-CD2 4.37Å; Y930-L956 PolarHBondContact N-O 3.39Å; D931-L956 HydrophobicContact CB-CD2 3.76Å; D931-L956 WeakPolarHBondContact OD1-CD2 3.22Å; C954-L956 HydrophobicContact CB-CD1 4.42Å | ||
| 957 | D | 25 | Very low | 25.8 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -76.9 | 175 | 157.8 | -42 | -81.2 | 0 | 0 | 0 | 109.6 | P929 Y930 D931 | P929-D957 CarbonylContact O-C 3.52Å; Y930-D957 CarbonylContact C-O 3.12Å; Y930-D957 WeakPolarHBondContact CA-O 3.49Å; Y930-D957 PolarHBondContact N-O 3.47Å; D931-D957 WeakPolarHBondContact CA-O 3.26Å; D931-D957 PolarHBondContact N-O 3.42Å | ||
| 958 | A | 26.9 | Very low | 25.8 | Very low | 59 Ų | 59 | 123.2 Ų | 123.2 | 49% | 0.488 | 68% | 0.677 | S | S | . | * | cis | -157.4 | -177.3 | 10 | 0 | 0 | 0 | 0 | 0 | 109.5 | P929 | P929-A958 CarbonylContact O-C 3.37Å; P929-A958 WeakPolarHBondContact O-CA 3.06Å; P929-A958 PolarHBondContact O-N 3.04Å | ||
| 959 | I | 26.9 | Very low | 26 | Very low | 156 Ų | 156 | 121.1 Ų | 121.1 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | trans | -160.6 | 141.1 | 150.8 | -108 | 152.3 | 0 | 0 | 0 | 111 | ||||
| 960 | G | 29.1 | Very low | 26.1 | Very low | 61 Ų | 61 | 122.4 Ų | 122.4 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | trans | -111.8 | 168.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 961 | S | 25.6 | Very low | 26.2 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | cis | -169.1 | -175 | 15.8 | 43.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 962 | D | 26.8 | Very low | 26.4 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | 79.1 | 136.8 | 149 | -53 | -35.4 | 0 | 0 | 0 | 121 | ||||
| 963 | D | 26.3 | Very low | 26.7 | Very low | 139 Ų | 139 | 116.3 Ų | 116.3 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | trans | 87.9 | 123.7 | 146 | -60.2 | -11.7 | 0 | 0 | 0 | 123.2 | ||||
| 964 | D | 26.8 | Very low | 26.8 | Very low | 139 Ų | 139 | 117 Ų | 117 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | 86.1 | 81.7 | 131.9 | -67.7 | 2.6 | 0 | 0 | 0 | 123.7 | ||||
| 965 | D | 25.8 | Very low | 27 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | 99.7 | 160.9 | 98.1 | -144.3 | 7.2 | 0 | 0 | 0 | 120.4 | |||||
| 966 | V | 27.2 | Very low | 27 | Very low | 93 Ų | 93 | 116 Ų | 116 | 56% | 0.564 | 67% | 0.666 | S | S | * | * | trans | 56.6 | 92.5 | 165.8 | -173.7 | 0 | 0 | 0 | 0 | 115.7 | I968 | V966-I968 HydrophobicContact CG1-CD1 4.19Š| ||
| 967 | S | 24.2 | Very low | 27 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | 69 | 173.1 | 60 | 96 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 968 | I | 27.9 | Very low | 27.1 | Very low | 133 Ų | 133 | 119.5 Ų | 119.5 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | trans | 74.7 | 125.1 | 178.9 | -59.9 | 165.1 | 0 | 0 | 0 | 114.5 | V966 | V966-I968 HydrophobicContact CG1-CD1 4.19Š| ||
| 969 | N | 28.2 | Very low | 27 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | cis | -166.7 | 165.6 | -13.6 | -115.1 | -16.4 | 0 | 0 | 0 | 111.4 | ||||
| 970 | N | 27.5 | Very low | 26.9 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | trans | 65 | 123 | 159.8 | -54.4 | -25.6 | 0 | 0 | 0 | 118 | ||||
| 971 | G | 28.9 | Very low | 26.8 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | cis | 140.2 | 174.9 | -8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 972 | F | 27 | Very low | 26.8 | Very low | 181 Ų | 181 | 125.9 Ų | 125.9 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | trans | 66.9 | 124.3 | 172.6 | -57.6 | -85.6 | 0 | 0 | 0 | 115.9 | ||||
| 973 | I | 32.8 | Very low | 26.8 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | cis | -139.9 | 130.4 | -7 | -63.4 | 101.7 | 0 | 0 | 0 | 105.4 | ||||
| 974 | D | 24.1 | Very low | 26.8 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 57% | 0.572 | 71% | 0.706 | S | S | * | * | cis | 80.5 | 57.1 | 10.3 | -153.3 | 36.8 | 0 | 0 | 0 | 117.9 | K976 | D974-K976 VanDerWaalsContact OD1-CD 3.26Å; D974-K976 WeakPolarHBondContact OD1-CD 3.49Å; D974-K976 WeakPolarHBondContact OD1-CE 3.44Å; D974-K976 WeakPolarHBondContact OD1-CG 3.37Å; D974-K976 IonicContact OD1-NZ 2.7Å; D974-K976 PolarHBondContact OD1-NZ 3.3Å; D974-K976 IonicContact OD2-NZ 3.04Å; D974-K976 PolarHBondContact OD2-NZ 2.86Å | ||
| 975 | S | 29.5 | Very low | 27 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -141.1 | 83.3 | 161 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 976 | K | 24.7 | Very low | 27.2 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 56% | 0.561 | 69% | 0.693 | S | S | * | * | 68.8 | 107.7 | 63 | -73.2 | -178.7 | 161.2 | 146.5 | 0 | 116.4 | D974 | D974-K976 VanDerWaalsContact OD1-CD 3.26Å; D974-K976 WeakPolarHBondContact OD1-CD 3.49Å; D974-K976 WeakPolarHBondContact OD1-CE 3.44Å; D974-K976 WeakPolarHBondContact OD1-CG 3.37Å; D974-K976 IonicContact OD1-NZ 2.7Å; D974-K976 PolarHBondContact OD1-NZ 3.3Å; D974-K976 IonicContact OD2-NZ 3.04Å; D974-K976 PolarHBondContact OD2-NZ 2.86Å | |||
| 977 | H | 26.8 | Very low | 27.3 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | 90.3 | 122.8 | 120.6 | -70.6 | -29.3 | 0 | 0 | 0 | 122.3 | |||||
| 978 | V | 25.7 | Very low | 27.3 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 70% | 0.697 | 70% | 0.699 | S | S | * | * | 79.6 | 107.2 | 125.1 | 176.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 979 | S | 25.9 | Very low | 27.1 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | -156.8 | 101.4 | 117.7 | 61 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 980 | Q | 25.2 | Very low | 26.9 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | 41 | 109.6 | 123.1 | -58.6 | 168.5 | -20.1 | 0 | 0 | 119.2 | |||||
| 981 | H | 26 | Very low | 26.8 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | 170 | 149.7 | 103.6 | -98.2 | -76.2 | 0 | 0 | 0 | 114.8 | |||||
| 982 | S | 25.2 | Very low | 26.6 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 62.7 | 127.4 | 161.1 | 39.2 | 0 | 0 | 0 | 0 | 119.6 | R984 | S982-R984 PolarHBondContact O-N 3.14Š|
| 983 | T | 27.2 | Very low | 26.5 | Very low | 144 Ų | 144 | 136 Ų | 136 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 46.2 | 60.8 | 166 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 984 | R | 26.9 | Very low | 26.1 | Very low | 216 Ų | 216 | 135.7 Ų | 135.7 | 82% | 0.815 | 70% | 0.701 | S | S | * | * | trans | -24.5 | 146.9 | 169.9 | -66.6 | -170.5 | 161.6 | 149.3 | -4.7 | 116.9 | S982 | S982-R984 PolarHBondContact O-N 3.14Š| ||
| 985 | E | 30.2 | Very low | 26.2 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 59% | 0.589 | 71% | 0.71 | S | S | * | * | cis | 176.3 | 140.4 | -23.1 | -113 | 150.3 | -156.7 | 0 | 0 | 105.4 | ||||
| 986 | N | 29.6 | Very low | 25.9 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | cis | -169.4 | 161.3 | -22.4 | -123.3 | -16.1 | 0 | 0 | 0 | 110 | ||||
| 987 | I | 29.2 | Very low | 25.9 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 67% | 0.672 | 72% | 0.722 | S | S | * | * | trans | 53.7 | 107.9 | 139.8 | -63.9 | 167.2 | 0 | 0 | 0 | 116.8 | ||||
| 988 | N | 24.9 | Very low | 25.7 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | 69.3 | 144.8 | 32.8 | -156.7 | 9.2 | 0 | 0 | 0 | 114.6 | ||||
| 989 | M | 24 | Very low | 25.6 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | trans | 69 | 159.9 | 168.2 | -46.4 | -158.8 | -55.7 | 0 | 0 | 117 | ||||
| 990 | Y | 23.7 | Very low | 25.6 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | cis | -173.3 | 171.3 | -36.4 | -107.6 | -63.8 | 0 | 0 | 0 | 107.2 | ||||
| 991 | L | 25 | Very low | 25.5 | Very low | 138 Ų | 138 | 140 Ų | 140 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | trans | 70 | 150.3 | 163.3 | -50.3 | 122.6 | 0 | 0 | 0 | 115.8 | ||||
| 992 | E | 24.7 | Very low | 25.5 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | cis | -160.7 | 160.9 | -13.1 | -123.3 | 174.5 | 167.9 | 0 | 0 | 112.3 | ||||
| 993 | S | 26 | Very low | 25.5 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | 67.5 | 125.3 | 146.1 | 72.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 994 | N | 24.5 | Very low | 25.4 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | 82.6 | 116 | 136.6 | -61.6 | 7.8 | 0 | 0 | 0 | 121.9 | ||||
| 995 | D | 25.4 | Very low | 25.3 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | trans | 76.9 | 122.8 | 135.3 | -56.9 | -25.3 | 0 | 0 | 0 | 121.9 | ||||
| 996 | S | 23.8 | Very low | 25 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | 68.1 | 119.1 | 150.9 | 53.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 997 | E | 23.2 | Very low | 24.8 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 84% | 0.841 | 68% | 0.678 | S | S | * | * | trans | 74.1 | 112.4 | 133.9 | -64.2 | -177.8 | -174.8 | 0 | 0 | 122 | ||||
| 998 | V | 24 | Very low | 24.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 67% | 0.669 | S | S | * | * | 72.7 | 84.3 | 128 | -173.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 999 | S | 22.8 | Very low | 24.3 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | 84 | 164.1 | 124.4 | 80.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1000 | T | 25.1 | Very low | 24.3 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | trans | 83.8 | 106.5 | 162 | 54.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1001 | E | 23.6 | Very low | 24.3 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 91% | 0.911 | 67% | 0.673 | S | S | * | * | trans | 58.9 | 125 | 130.7 | -54.2 | -173.6 | 163.3 | 0 | 0 | 122.4 | ||||
| 1002 | G | 26.1 | Very low | 24.2 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | trans | 120.3 | 168.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1003 | T | 25.4 | Very low | 24 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 86% | 0.859 | 68% | 0.683 | S | S | * | * | cis | -149.5 | 171.7 | -22.2 | 37.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1004 | I | 24.6 | Very low | 23.8 | Very low | 49 Ų | 49 | 126.8 Ų | 126.8 | 25% | 0.251 | 68% | 0.683 | S | S | . | * | -166.6 | 102.7 | -89.6 | -89.8 | 163.8 | 0 | 0 | 0 | 110.3 | V918 A919 E920 | V918-I1004 HydrophobicContact CB-CD1 3.87Å; V918-I1004 HydrophobicContact CB-CG1 3.83Å; V918-I1004 HydrophobicContact CG1-CD1 3.62Å; V918-I1004 HydrophobicContact CG1-CG1 3.97Å; V918-I1004 HydrophobicContact CG1-CG2 4.19Å; V918-I1004 WeakPolarHBondContact O-CG1 3.27Å; V918-I1004 VanDerWaalsContact O-CG2 3.3Å; V918-I1004 WeakPolarHBondContact O-CG2 3.28Å; A919-I1004 HydrophobicContact CB-CG2 3.72Å; E920-I1004 HydrophobicContact CB-CG2 4.2Å; E920-I1004 VanDerWaalsContact CB-O 3.29Å; E920-I1004 WeakPolarHBondContact CB-O 3.43Å; E920-I1004 HydrophobicContact CG-CG2 3.96Å; E920-I1004 VanDerWaalsContact N-CG2 3.27Å; E920-I1004 PolarHBondContact N-O 3.42Å; E920-I1004 VanDerWaalsContact N-O 3.15Å; E920-I1004 VanDerWaalsContact OE2-O 3.1Å | |||
| 1005 | R | 24.8 | Very low | 23.9 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 50% | 0.502 | 68% | 0.683 | S | S | . | * | trans | -157.5 | 165.6 | 170 | -139.9 | 133.9 | -152.7 | 152.2 | 16.8 | 116.7 | A919 E920 E921 | A919-R1005 CarbonylContact O-C 3.59Å; A919-R1005 WeakPolarHBondContact O-CA 3.44Å; A919-R1005 PolarHBondContact O-N 3.17Å; A919-R1005 VanDerWaalsContact O-N 3.11Å; E920-R1005 HydrophobicContact CB-CB 4.48Å; E920-R1005 HydrophobicContact CB-CG 3.89Å; E920-R1005 IonicContact OE1-CZ 3.44Å; E920-R1005 IonicContact OE1-NH1 2.83Å; E920-R1005 PolarHBondContact OE1-NH1 3.11Å; E920-R1005 IonicContact OE1-NH2 3.6Å; E920-R1005 PolarHBondContact OE1-NH2 2.98Å; E920-R1005 IonicContact OE2-CZ 3.21Å; E920-R1005 IonicContact OE2-NE 3.32Å; E920-R1005 IonicContact OE2-NH1 3.57Å; E920-R1005 PolarHBondContact OE2-NH1 3.24Å; E920-R1005 IonicContact OE2-NH2 3.19Å; E921-R1005 IonicContact OE2-CZ 3.47Å; E921-R1005 IonicContact OE2-NH2 2.79Å; E921-R1005 PolarHBondContact OE2-NH2 3.37Å | ||
| 1006 | R | 25.2 | Very low | 23.7 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 30% | 0.298 | 68% | 0.682 | S | S | . | * | trans | -132.4 | 172.4 | -167.3 | -49.7 | 177.3 | 152.2 | 132.6 | -23.8 | 117.3 | F892 A919 E920 | F892-R1006 PolarHBondContact O-NH2 3.42Å; F892-R1006 VanDerWaalsContact O-NH2 3.1Å; A919-R1006 WeakPolarHBondContact O-CG 3.47Å; E920-R1006 WeakPolarHBondContact O-CD 3.44Å; E920-R1006 WeakPolarHBondContact O-CG 3.38Å; E920-R1006 PolarHBondContact O-NH1 3.3Å | ||
| 1007 | R | 23.9 | Very low | 23.7 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | trans | 80.3 | 160.3 | 140.9 | -86.9 | 167.5 | 174.6 | -176 | -2.6 | 116.4 | ||||
| 1008 | K | 22.7 | Very low | 23.6 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 50% | 0.496 | 68% | 0.682 | S | S | . | * | cis | -156.7 | 140.3 | 14.7 | -133.8 | 160.7 | -175.9 | 171.9 | 0 | 110 | ||||
| 1009 | R | 22.6 | Very low | 23.7 | Very low | 221 Ų | 221 | 126.6 Ų | 126.6 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | trans | 65.5 | 161 | 147.1 | -76.9 | 174.8 | -177.4 | 170.4 | -3.1 | 118.5 | ||||
| 1010 | S | 23.6 | Very low | 23.8 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | cis | -163 | 153.6 | -12.2 | 40 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1011 | T | 22.7 | Very low | 23.8 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | trans | 29.5 | 104.3 | 147.1 | 59 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1012 | I | 23 | Very low | 23.9 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | -149.1 | 152.2 | 141.3 | -100.2 | 144.1 | 0 | 0 | 0 | 107.7 | ||||
| 1013 | V | 21.7 | Very low | 24 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -100 | 128.4 | 177.2 | 172 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1014 | S | 20.8 | Very low | 24.1 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | trans | 64.6 | 166.8 | 174.9 | 80.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1015 | P | 26 | Very low | 24.3 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | cis | -123.4 | -143.2 | -40.1 | 30.7 | -12.4 | 0 | 0 | 0 | 109.6 | ||||
| 1016 | V | 22.9 | Very low | 24.4 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | trans | 83 | 118 | 166.1 | -163.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1017 | Y | 22.8 | Very low | 24.5 | Very low | 198 Ų | 198 | 122.1 Ų | 122.1 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | trans | -25.6 | 143.9 | 154.1 | -55.1 | -95.2 | 0 | 0 | 0 | 114 | ||||
| 1018 | D | 22.1 | Very low | 24.8 | Very low | 148 Ų | 148 | 118.9 Ų | 118.9 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | -169.2 | 170.1 | 74.3 | -118.8 | -34.6 | 0 | 0 | 0 | 115 | |||||
| 1019 | S | 24.8 | Very low | 25.1 | Very low | 102 Ų | 102 | 114.6 Ų | 114.6 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 71.3 | 124 | 162.9 | 70.4 | 0 | 0 | 0 | 0 | 120.5 | ||
| 1020 | S | 24.6 | Very low | 25.5 | Very low | 104 Ų | 104 | 106.3 Ų | 106.3 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | 57 | 108.1 | 163.6 | 56.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1021 | P | 26.7 | Very low | 25.8 | Very low | 115 Ų | 115 | 103 Ų | 103 | 75% | 0.747 | 60% | 0.598 | S | S | * | * | trans | -71.8 | 147.7 | 156.9 | 32.8 | -33.1 | 0 | 0 | 0 | 110.2 | ||||
| 1022 | I | 26 | Very low | 26.2 | Very low | 155 Ų | 155 | 98.6 Ų | 98.6 | 80% | 0.795 | 57% | 0.569 | S | S | * | * | trans | -84.5 | 114.6 | 171.3 | -61.4 | 175.3 | 0 | 0 | 0 | 108 | V1024 | I1022-V1024 VanDerWaalsContact C-N 3.31Å; I1022-V1024 HydrophobicContact CG2-CG2 4.14Å; I1022-V1024 PolarHBondContact O-N 2.96Å | ||
| 1023 | D | 27.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 92.2 Ų | 92.2 | 80% | 0.802 | 54% | 0.537 | S | S | * | . | trans | -66 | 85.9 | 175.6 | -77.5 | -39.7 | 0 | 0 | 0 | 111.3 | P1025 | D1023-P1025 VanDerWaalsContact O-CD 3.31Å; D1023-P1025 WeakPolarHBondContact O-CD 3.4Å | ||
| 1024 | V | 27 | Very low | 26.9 | Very low | 71 Ų | 71 | 88.1 Ų | 88.1 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | trans | -90.2 | 104.2 | 163.8 | -177.7 | 0 | 0 | 0 | 0 | 107.1 | I1022 T1026 W1349 | I1022-V1024 VanDerWaalsContact C-N 3.31Å; I1022-V1024 HydrophobicContact CG2-CG2 4.14Å; I1022-V1024 PolarHBondContact O-N 2.96Å; V1024-T1026 PolarHBondContact O-N 3.27Å; V1024-W1349 HydrophobicContact CB-CZ3 4.28Å; V1024-W1349 HydrophobicContact CG1-CZ3 4.08Å; V1024-W1349 HydrophobicContact CG2-CH2 4.21Å; V1024-W1349 HydrophobicContact CG2-CZ3 4.24Å | ||
| 1025 | P | 28.7 | Very low | 27.2 | Very low | 85 Ų | 85 | 86 Ų | 86 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | trans | -63.3 | 111.5 | -178.4 | 25.5 | -33.6 | 0 | 0 | 0 | 109 | D1023 P1027 | D1023-P1025 VanDerWaalsContact O-CD 3.31Å; D1023-P1025 WeakPolarHBondContact O-CD 3.4Å; P1025-P1027 VanDerWaalsContact O-CD 3.27Å; P1025-P1027 WeakPolarHBondContact O-CD 3.35Å | ||
| 1026 | T | 28.1 | Very low | 27.3 | Very low | 71 Ų | 71 | 82.4 Ų | 82.4 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | trans | -62.8 | 117.7 | 179.6 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | V1024 I1028 | V1024-T1026 PolarHBondContact O-N 3.27Å; T1026-I1028 VanDerWaalsContact C-N 3.3Å; T1026-I1028 PolarHBondContact O-N 2.81Å | ||
| 1027 | P | 25.8 | Very low | 27.7 | Very low | 33 Ų | 33 | 80.5 Ų | 80.5 | 21% | 0.214 | 45% | 0.454 | C | S | . | . | trans | -72.9 | 94.2 | 175.9 | 30.1 | -32.3 | 0 | 0 | 0 | 106.8 | P1025 V1029 T1351 T2082 | P1025-P1027 VanDerWaalsContact O-CD 3.27Å; P1025-P1027 WeakPolarHBondContact O-CD 3.35Å; P1027-V1029 HydrophobicContact CB-CG2 4.44Å; P1027-V1029 WeakPolarHBondContact O-CG2 3.36Å; P1027-V1029 PolarHBondContact O-N 3.49Å; P1027-T1351 HydrophobicContact CG-CG2 4Å; P1027-T2082 HydrophobicContact CB-CG2 3.63Å; P1027-T2082 HydrophobicContact CG-CG2 3.93Å | ||
| 1028 | I | 31.1 | Very low | 28.1 | Very low | 84 Ų | 84 | 74 Ų | 74 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | trans | -65.8 | 93.4 | 173.1 | -52.6 | 179.9 | 0 | 0 | 0 | 106.4 | T1026 L1030 | T1026-I1028 VanDerWaalsContact C-N 3.3Å; T1026-I1028 PolarHBondContact O-N 2.81Å; I1028-L1030 HydrophobicContact CG2-CD2 4.2Å; I1028-L1030 HydrophobicContact CG2-CG 3.97Å; I1028-L1030 PolarHBondContact O-N 2.8Å | ||
| 1029 | V | 29.7 | Very low | 28.6 | Very low | 24 Ų | 24 | 70.4 Ų | 70.4 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | trans | -76.5 | 76.2 | -179.2 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | P1027 A1031 A1352 P2084 | P1027-V1029 HydrophobicContact CB-CG2 4.44Å; P1027-V1029 WeakPolarHBondContact O-CG2 3.36Å; P1027-V1029 PolarHBondContact O-N 3.49Å; V1029-A1031 PolarHBondContact O-N 3.37Å; V1029-A1352 HydrophobicContact CB-CB 3.87Å; V1029-P2084 HydrophobicContact CG1-CB 3.58Å; V1029-P2084 VanDerWaalsContact CG1-CD 3.49Å; V1029-P2084 HydrophobicContact CG1-CG 3.35Å | ||
| 1030 | L | 30.5 | Very low | 28.8 | Very low | 47 Ų | 47 | 68.4 Ų | 68.4 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | trans | -60.3 | 95.7 | 169.6 | -70.9 | 163.5 | 0 | 0 | 0 | 108.5 | I1028 D1032 L1033 L1036 | I1028-L1030 HydrophobicContact CG2-CD2 4.2Å; I1028-L1030 HydrophobicContact CG2-CG 3.97Å; I1028-L1030 PolarHBondContact O-N 2.8Å; L1030-D1032 VanDerWaalsContact C-N 3.29Å; L1030-L1033 HydrophobicContact CB-CB 3.81Å; L1030-L1033 HydrophobicContact CD1-CB 3.99Å; L1030-L1033 HydrophobicContact CD1-CD1 3.9Å; L1030-L1033 HydrophobicContact CD2-CB 4.17Å; L1030-L1033 HydrophobicContact CD2-CD1 4.36Å; L1030-L1033 HydrophobicContact CG-CB 4.19Å; L1030-L1036 HydrophobicContact CD1-CD1 3.37Å | ||
| 1031 | A | 30 | Very low | 28.9 | Very low | 23 Ų | 23 | 72.2 Ų | 72.2 | 19% | 0.19 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -72.2 | -27.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1029 | V1029-A1031 PolarHBondContact O-N 3.37Š|
| 1032 | D | 31 | Very low | 28.9 | Very low | 36 Ų | 36 | 71.6 Ų | 71.6 | 19% | 0.193 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -101 | -24.7 | -175.6 | -63.6 | -53.1 | 0 | 0 | 0 | 113.9 | L1030 P1034 R1354 S2089 | L1030-D1032 VanDerWaalsContact C-N 3.29Å; D1032-P1034 WeakPolarHBondContact O-CD 3.28Å; D1032-R1354 IonicContact OD2-CZ 2.77Å; D1032-R1354 IonicContact OD2-NE 2.67Å; D1032-R1354 PolarHBondContact OD2-NE 2.99Å; D1032-R1354 IonicContact OD2-NH2 2.72Å; D1032-R1354 PolarHBondContact OD2-NH2 2.98Å; D1032-S2089 WeakPolarHBondContact OD1-CB 3.46Å; D1032-S2089 PolarHBondContact OD1-OG 3.43Å |
| 1033 | L | 30.1 | Very low | 28.9 | Very low | 30 Ų | 30 | 70.2 Ų | 70.2 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -88.6 | 121.4 | 178.4 | -120.3 | -173.6 | 0 | 0 | 0 | 110.6 | L1030 R1035 S1072 L1079 | L1030-L1033 HydrophobicContact CB-CB 3.81Å; L1030-L1033 HydrophobicContact CD1-CB 3.99Å; L1030-L1033 HydrophobicContact CD1-CD1 3.9Å; L1030-L1033 HydrophobicContact CD2-CB 4.17Å; L1030-L1033 HydrophobicContact CD2-CD1 4.36Å; L1030-L1033 HydrophobicContact CG-CB 4.19Å; L1033-R1035 PolarHBondContact O-N 2.84Å; L1033-S1072 VanDerWaalsContact CD1-OG 3.27Å; L1033-S1072 WeakPolarHBondContact CD1-OG 3.43Å; L1033-L1079 HydrophobicContact CD1-CD1 4.18Å |
| 1034 | P | 28.2 | Very low | 28.7 | Very low | 50 Ų | 50 | 70.6 Ų | 70.6 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | trans | -70.4 | 119.3 | -175.4 | -23.9 | 36.6 | 0 | 0 | 0 | 114.6 | D1032 L1036 Y1988 | D1032-P1034 WeakPolarHBondContact O-CD 3.28Å; P1034-L1036 PolarHBondContact O-N 2.8Å; P1034-Y1988 HydrophobicContact CB-CD1 3.6Å; P1034-Y1988 HydrophobicContact CB-CD2 3.66Å; P1034-Y1988 HydrophobicContact CB-CE1 3.34Å; P1034-Y1988 HydrophobicContact CB-CE2 3.36Å; P1034-Y1988 HydrophobicContact CB-CG 3.77Å; P1034-Y1988 HydrophobicContact CG-CD2 4.36Å; P1034-Y1988 HydrophobicContact CG-CE1 4.28Å; P1034-Y1988 HydrophobicContact CG-CE2 3.71Å | ||
| 1035 | R | 27.4 | Very low | 28.6 | Very low | 47 Ų | 47 | 72.9 Ų | 72.9 | 18% | 0.177 | 40% | 0.404 | C | S | . | . | trans | 28.8 | 70.6 | 161.2 | -110 | -178 | 158.1 | 172.8 | -5 | 115.6 | L1033 T1037 E1038 Y1988 T1991 | L1033-R1035 PolarHBondContact O-N 2.84Å; R1035-T1037 WeakPolarHBondContact CG-OG1 3.43Å; R1035-T1037 PolarHBondContact O-N 3.36Å; R1035-E1038 PolarHBondContact O-N 3.27Å; R1035-Y1988 HydrophobicContact CB-CD1 4.44Å; R1035-Y1988 WeakPolarHBondContact CD-O 3.18Å; R1035-Y1988 PolarHBondContact NH1-O 3.05Å; R1035-T1991 PolarHBondContact NH1-OG1 3.49Å; R1035-T1991 VanDerWaalsContact NH1-OG1 3.1Å | ||
| 1036 | L | 29.1 | Very low | 28.4 | Very low | 36 Ų | 36 | 77.2 Ų | 77.2 | 19% | 0.188 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -19.3 | 166.5 | -89.5 | 143.2 | 0 | 0 | 0 | 115.1 | L1030 P1034 E1038 L1039 A1040 C1069 | L1030-L1036 HydrophobicContact CD1-CD1 3.37Å; P1034-L1036 PolarHBondContact O-N 2.8Å; L1036-E1038 PolarHBondContact O-N 2.79Å; L1036-E1038 VanDerWaalsContact O-N 3.1Å; L1036-L1039 HydrophobicContact CD2-CD1 3.82Å; L1036-L1039 PolarHBondContact O-N 3.21Å; L1036-A1040 PolarHBondContact O-N 3.09Å; L1036-C1069 HydrophobicContact CD1-CB 3.45Å; L1036-C1069 VanDerWaalsContact CD1-CB 3.45Å; L1036-C1069 HydrophobicContact CD2-CB 3.66Å; L1036-C1069 HydrophobicContact CG-CB 4.2Å |
| 1037 | T | 30.7 | Very low | 28.3 | Very low | 81 Ų | 81 | 79.1 Ų | 79.1 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -12.5 | 168.7 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | R1035 | R1035-T1037 WeakPolarHBondContact CG-OG1 3.43Å; R1035-T1037 PolarHBondContact O-N 3.36Å |
| 1038 | E | 30.9 | Very low | 28.4 | Very low | 62 Ų | 62 | 83.8 Ų | 83.8 | 29% | 0.29 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -37.6 | 169.6 | -63.5 | -159.8 | 128.8 | 0 | 0 | 112.8 | R1035 L1036 A1040 R1041 Y1988 G1989 | R1035-E1038 PolarHBondContact O-N 3.27Å; L1036-E1038 PolarHBondContact O-N 2.79Å; L1036-E1038 VanDerWaalsContact O-N 3.1Å; E1038-A1040 PolarHBondContact O-N 2.92Å; E1038-R1041 PolarHBondContact O-N 2.74Å; E1038-Y1988 VanDerWaalsContact OE2-CD1 3.27Å; E1038-Y1988 WeakPolarHBondContact OE2-CD1 3.31Å; E1038-G1989 VanDerWaalsContact OE1-C 3.32Å; E1038-G1989 WeakPolarHBondContact OE1-CA 3.45Å; E1038-G1989 PolarHBondContact OE1-N 3.13Å |
| 1039 | L | 32 | Very low | 28 | Very low | 72 Ų | 72 | 85.8 Ų | 85.8 | 38% | 0.377 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -64.6 | -24.4 | 174 | -76.1 | 167.3 | 0 | 0 | 0 | 112.1 | L1036 R1041 L1125 | L1036-L1039 HydrophobicContact CD2-CD1 3.82Å; L1036-L1039 PolarHBondContact O-N 3.21Å; L1039-R1041 VanDerWaalsContact C-N 3.35Å; L1039-R1041 PolarHBondContact O-N 2.73Å; L1039-L1125 HydrophobicContact CD1-CD1 4.39Å; L1039-L1125 HydrophobicContact CD2-CD1 3.72Å; L1039-L1125 HydrophobicContact CD2-CG 4.3Å |
| 1040 | A | 30.3 | Very low | 27.9 | Very low | 61 Ų | 61 | 90.3 Ų | 90.3 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -84.6 | 8.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1036 E1038 L1067 | L1036-A1040 PolarHBondContact O-N 3.09Å; E1038-A1040 PolarHBondContact O-N 2.92Å; A1040-L1067 HydrophobicContact CB-CD1 3.79Å |
| 1041 | R | 26.4 | Very low | 27.6 | Very low | 183 Ų | 183 | 93 Ų | 93 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -124.7 | 21.8 | -176.1 | -76.9 | -172.9 | 167.1 | 166.4 | -0 | 114.8 | E1038 L1039 S1990 | E1038-R1041 PolarHBondContact O-N 2.74Å; L1039-R1041 VanDerWaalsContact C-N 3.35Å; L1039-R1041 PolarHBondContact O-N 2.73Å; R1041-S1990 PolarHBondContact NH1-OG 3.44Å |
| 1042 | V | 27.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 98.7 Ų | 98.7 | 62% | 0.624 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -135.8 | 119.9 | 175 | -175.5 | 0 | 0 | 0 | 0 | 106.5 | ||
| 1043 | D | 25.2 | Very low | 27.2 | Very low | 125 Ų | 125 | 103 Ų | 103 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | cis | -118.1 | 142 | 1.1 | -76.6 | -62.4 | 0 | 0 | 0 | 111.7 | ||||
| 1044 | N | 23.8 | Very low | 27 | Very low | 159 Ų | 159 | 106.4 Ų | 106.4 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | trans | -140.6 | 46.9 | 158.6 | -136.5 | -15.5 | 0 | 0 | 0 | 110.8 | ||||
| 1045 | T | 24.3 | Very low | 27 | Very low | 118 Ų | 118 | 112.8 Ų | 112.8 | 72% | 0.724 | 63% | 0.628 | S | S | * | * | trans | -130.3 | 48.4 | 179.3 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1046 | Q | 25.2 | Very low | 26.9 | Very low | 176 Ų | 176 | 116.4 Ų | 116.4 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | trans | -98.4 | 92.9 | 156.1 | -70.6 | -165.6 | 18.2 | 0 | 0 | 107.3 | ||||
| 1047 | T | 25.9 | Very low | 26.8 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | 85 | 133.1 | 93 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1048 | T | 27.6 | Very low | 26.4 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | 59.3 | 101.4 | 157.5 | 50.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1049 | T | 23 | Very low | 26.2 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -49 | 164.4 | 137.5 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1050 | P | 27 | Very low | 25.8 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | cis | -126.8 | -123.8 | 12.3 | 27.1 | 0.1 | 0 | 0 | 0 | 113.8 | ||||
| 1051 | P | 25.1 | Very low | 25.7 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | -131 | -167.9 | -111.6 | 43.1 | -24.6 | 0 | 0 | 0 | 116 | |||||
| 1052 | I | 26.7 | Very low | 25.5 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 84.9 | 107.8 | 159.8 | -65.1 | 162.5 | 0 | 0 | 0 | 117 | ||||
| 1053 | T | 25.5 | Very low | 25.5 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 34.4 | 135.4 | 145.4 | 70.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1054 | S | 26.6 | Very low | 25.5 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | cis | -172.7 | 167.3 | 41.8 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1055 | Q | 26.5 | Very low | 25.7 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 70.1 | 111.2 | 169.1 | -62.8 | -172.1 | -21.6 | 0 | 0 | 116.7 | ||||
| 1056 | P | 25.5 | Very low | 26 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -88.9 | 151.8 | 166 | 36.4 | -31.7 | 0 | 0 | 0 | 111.4 | ||||
| 1057 | N | 26.5 | Very low | 26.5 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | -146.1 | 154.3 | 157.3 | -105.4 | 0.6 | 0 | 0 | 0 | 108.8 | ||||
| 1058 | E | 24.3 | Very low | 27.3 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -58.8 | 128.5 | -172.9 | -63.3 | 134.2 | -173.1 | 0 | 0 | 113.8 | ||
| 1059 | V | 26.2 | Very low | 27.9 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 75% | 0.745 | 68% | 0.681 | S | S | * | * | -169.1 | 113.6 | 97.2 | 158.3 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 1060 | S | 22.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 88% | 0.881 | 65% | 0.646 | S | S | * | * | trans | -100.5 | 85.4 | 173 | 57.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1061 | S | 27.9 | Very low | 30 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | trans | -109.4 | 120.9 | 171.1 | 57.6 | 0 | 0 | 0 | 0 | 109.6 | S1063 | S1061-S1063 PolarHBondContact O-N 3.19Å; S1061-S1063 VanDerWaalsContact O-N 3.12Å | ||
| 1062 | D | 24 | Very low | 30.8 | Very low | 146 Ų | 146 | 107.3 Ų | 107.3 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | trans | -57.1 | 115.4 | -178.3 | -64.7 | -69.4 | 0 | 0 | 0 | 111.8 | T1064 | D1062-T1064 HydrophobicContact CB-CG2 3.9Å; D1062-T1064 PolarHBondContact O-N 3.17Å | ||
| 1063 | S | 25.9 | Very low | 31.6 | Very low | 102 Ų | 102 | 102.3 Ų | 102.3 | 71% | 0.713 | 58% | 0.575 | S | S | * | * | trans | -74.8 | 69.7 | 175.7 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | S1061 Y1065 | S1061-S1063 PolarHBondContact O-N 3.19Å; S1061-S1063 VanDerWaalsContact O-N 3.12Å; S1063-Y1065 PolarHBondContact O-N 2.81Å; S1063-Y1065 VanDerWaalsContact O-N 3.17Å | ||
| 1064 | T | 26.2 | Very low | 32.4 | Very low | 100 Ų | 100 | 98.6 Ų | 98.6 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | trans | -71.1 | 105.9 | -175.6 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | D1062 Q1066 | D1062-T1064 HydrophobicContact CB-CG2 3.9Å; D1062-T1064 PolarHBondContact O-N 3.17Å; T1064-Q1066 PolarHBondContact O-N 3.12Å | ||
| 1065 | Y | 27.5 | Very low | 33.4 | Very low | 200 Ų | 200 | 97.2 Ų | 97.2 | 78% | 0.784 | 55% | 0.545 | S | S | * | . | trans | -63.2 | 93.7 | 172.2 | -66 | -86.5 | 0 | 0 | 0 | 110.8 | S1063 L1067 | S1063-Y1065 PolarHBondContact O-N 2.81Å; S1063-Y1065 VanDerWaalsContact O-N 3.17Å; Y1065-L1067 PolarHBondContact O-N 3.24Å | ||
| 1066 | Q | 31.3 | Very low | 34.5 | Very low | 116 Ų | 116 | 89.8 Ų | 89.8 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | trans | -77.2 | 87.6 | 172.7 | -69.1 | -163 | 8.4 | 0 | 0 | 110.7 | T1064 Q1068 | T1064-Q1066 PolarHBondContact O-N 3.12Å; Q1066-Q1068 VanDerWaalsContact C-N 3.32Å; Q1066-Q1068 PolarHBondContact O-N 2.94Å | ||
| 1067 | L | 34.4 | Very low | 36 | Very low | 65 Ų | 65 | 86.8 Ų | 86.8 | 34% | 0.34 | 49% | 0.488 | S | S | . | . | trans | -68.9 | 86.5 | 168.9 | -100.7 | 162.8 | 0 | 0 | 0 | 110.5 | A1040 Y1065 C1069 M1081 | A1040-L1067 HydrophobicContact CB-CD1 3.79Å; Y1065-L1067 PolarHBondContact O-N 3.24Å; L1067-C1069 PolarHBondContact O-N 2.91Å; L1067-C1069 VanDerWaalsContact O-N 3.12Å; L1067-M1081 HydrophobicContact CD2-SD 3.74Å | ||
| 1068 | Q | 42.5 | Very low | 37.4 | Very low | 79 Ų | 79 | 80 Ų | 80 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 94.2 | 164.4 | -70.9 | 179.9 | -2.3 | 0 | 0 | 108.3 | Q1066 I1070 T1082 | Q1066-Q1068 VanDerWaalsContact C-N 3.32Å; Q1066-Q1068 PolarHBondContact O-N 2.94Å; Q1068-I1070 WeakPolarHBondContact O-CG1 3.49Å; Q1068-T1082 WeakPolarHBondContact CB-OG1 3.25Å; Q1068-T1082 PolarHBondContact OE1-OG1 2.92Å |
| 1069 | C | 41 | Very low | 39 | Very low | 8 Ų | 8 | 71.5 Ų | 71.5 | 5% | 0.054 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120.3 | 171.4 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | L1036 L1067 | L1036-C1069 HydrophobicContact CD1-CB 3.45Å; L1036-C1069 VanDerWaalsContact CD1-CB 3.45Å; L1036-C1069 HydrophobicContact CD2-CB 3.66Å; L1036-C1069 HydrophobicContact CG-CB 4.2Å; L1067-C1069 PolarHBondContact O-N 2.91Å; L1067-C1069 VanDerWaalsContact O-N 3.12Å |
| 1070 | I | 49.5 | Very low | 40.6 | Very low | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 103.6 | -164.2 | -47.6 | 179.7 | 0 | 0 | 0 | 111.3 | Q1068 I1080 T1082 V1153 A1156 | Q1068-I1070 WeakPolarHBondContact O-CG1 3.49Å; I1070-I1080 HydrophobicContact CB-CB 4.41Å; I1070-I1080 HydrophobicContact CB-CG2 4.19Å; I1070-I1080 HydrophobicContact CD1-CG2 4.48Å; I1070-I1080 PolarHBondContact N-O 3.14Å; I1070-I1080 VanDerWaalsContact N-O 3.15Å; I1070-T1082 HydrophobicContact CD1-CG2 3.74Å; I1070-V1153 HydrophobicContact CD1-CG1 4.46Å; I1070-A1156 HydrophobicContact CB-CB 4.33Å; I1070-A1156 HydrophobicContact CD1-CB 4.29Å; I1070-A1156 HydrophobicContact CG2-CB 3.62Å; I1070-A1156 VanDerWaalsContact CG2-N 3.3Å; I1070-A1156 WeakPolarHBondContact CG2-O 3.4Å |
| 1071 | A | 44.7 | Very low | 42.1 | Very low | 36 Ų | 36 | 60.5 Ų | 60.5 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | trans | 36.2 | 88.2 | 164 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1072 | S | 42.2 | Very low | 43.2 | Very low | 28 Ų | 28 | 57 Ų | 57 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | trans | -98.5 | 147 | 159.7 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | L1033 L1078 | L1033-S1072 VanDerWaalsContact CD1-OG 3.27Å; L1033-S1072 WeakPolarHBondContact CD1-OG 3.43Å; S1072-L1078 WeakPolarHBondContact CB-O 3.31Å | ||
| 1073 | N | 41.8 | Very low | 44.3 | Very low | 39 Ų | 39 | 52.6 Ų | 52.6 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | trans | -75.5 | 160.3 | 169.6 | -160.4 | 5.5 | 0 | 0 | 0 | 110.4 | S1075 L1076 | N1073-S1075 PolarHBondContact ND2-OG 2.21Å; N1073-S1075 PolarHBondContact O-N 2.23Å; N1073-S1075 VanDerWaalsContact O-N 3.11Å; N1073-L1076 HydrophobicContact CB-CD1 3.83Å; N1073-L1076 HydrophobicContact CB-CG 4.13Å; N1073-L1076 PolarHBondContact O-N 3.22Å | ||
| 1074 | S | 42.9 | Very low | 44.9 | Very low | 47 Ų | 47 | 55.7 Ų | 55.7 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12 | 179.8 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | S2091 | S1074-S2091 WeakPolarHBondContact O-CB 3.26Å; S1074-S2091 PolarHBondContact O-OG 2.42Å; S1074-S2091 VanDerWaalsContact O-OG 3.1Å |
| 1075 | S | 47.3 | Very low | 45.3 | Very low | 73 Ų | 73 | 53.6 Ų | 53.6 | 51% | 0.51 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -13.1 | 176 | 47.3 | 0 | 0 | 0 | 0 | 114.9 | N1073 | N1073-S1075 PolarHBondContact ND2-OG 2.21Å; N1073-S1075 PolarHBondContact O-N 2.23Å; N1073-S1075 VanDerWaalsContact O-N 3.11Å |
| 1076 | L | 50.2 | Low | 45.4 | Very low | 29 Ų | 29 | 49 Ų | 49 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | trans | -107 | 118.6 | -163.3 | -67.1 | 173.2 | 0 | 0 | 0 | 113.3 | N1073 L1078 V1158 S1159 | N1073-L1076 HydrophobicContact CB-CD1 3.83Å; N1073-L1076 HydrophobicContact CB-CG 4.13Å; N1073-L1076 PolarHBondContact O-N 3.22Å; L1076-L1078 HydrophobicContact CB-CB 4.23Å; L1076-L1078 PolarHBondContact O-N 3.14Å; L1076-V1158 HydrophobicContact CD1-CB 4.38Å; L1076-V1158 HydrophobicContact CD1-CG1 3.91Å; L1076-S1159 WeakPolarHBondContact CD1-O 3.34Å | ||
| 1077 | D | 56.5 | Low | 45.2 | Very low | 59 Ų | 59 | 49.4 Ų | 49.4 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | trans | -75.7 | 35.4 | 167.9 | -84.9 | -10.7 | 0 | 0 | 0 | 111.7 | H1114 L1115 R2092 | D1077-H1114 PolarHBondContact O-ND1 3.47Å; D1077-L1115 HydrophobicContact CB-CB 4.25Å; D1077-L1115 PolarHBondContact O-N 3.5Å; D1077-R2092 IonicContact OD1-NH2 2.62Å; D1077-R2092 IonicContact OD2-NH2 3.35Å; D1077-R2092 PolarHBondContact OD2-NH2 3.38Å | ||
| 1078 | L | 57.4 | Low | 44.9 | Very low | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.5 | -170.6 | -135.5 | 172.6 | 0 | 0 | 0 | 109.6 | S1072 L1076 V1112 L1179 | S1072-L1078 WeakPolarHBondContact CB-O 3.31Å; L1076-L1078 HydrophobicContact CB-CB 4.23Å; L1076-L1078 PolarHBondContact O-N 3.14Å; L1078-V1112 HydrophobicContact CD2-CG1 3.41Å; L1078-V1112 VanDerWaalsContact CD2-CG1 3.41Å; L1078-L1179 HydrophobicContact CD1-CD1 4Å |
| 1079 | L | 57.9 | Low | 44.1 | Very low | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124.6 | -169.3 | -165.7 | 149.6 | 0 | 0 | 0 | 111.9 | L1033 M1081 Y1113 L1115 | L1033-L1079 HydrophobicContact CD1-CD1 4.18Å; L1079-M1081 HydrophobicContact CD2-CG 3.3Å; L1079-M1081 HydrophobicContact CD2-SD 3.93Å; L1079-Y1113 PolarHBondContact N-O 3.32Å; L1079-Y1113 PolarHBondContact O-N 2.8Å; L1079-L1115 HydrophobicContact CB-CD1 4.14Å; L1079-L1115 HydrophobicContact CB-CG 4.34Å; L1079-L1115 HydrophobicContact CD1-CD1 3.8Å; L1079-L1115 HydrophobicContact CD1-CG 4.39Å |
| 1080 | I | 59.7 | Low | 43.3 | Very low | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.5 | -179.5 | -63.3 | -175.5 | 0 | 0 | 0 | 109.2 | I1070 P1110 V1158 I1165 | I1070-I1080 HydrophobicContact CB-CB 4.41Å; I1070-I1080 HydrophobicContact CB-CG2 4.19Å; I1070-I1080 HydrophobicContact CD1-CG2 4.48Å; I1070-I1080 PolarHBondContact N-O 3.14Å; I1070-I1080 VanDerWaalsContact N-O 3.15Å; I1080-P1110 HydrophobicContact CG2-CB 3.45Å; I1080-P1110 VanDerWaalsContact CG2-CB 3.45Å; I1080-P1110 HydrophobicContact CG2-CG 3.68Å; I1080-V1158 HydrophobicContact CD1-CG2 3.51Å; I1080-V1158 HydrophobicContact CG1-CG2 4.17Å; I1080-I1165 HydrophobicContact CD1-CB 4.49Å; I1080-I1165 HydrophobicContact CD1-CD1 4.11Å; I1080-I1165 HydrophobicContact CD1-CG1 4.16Å; I1080-I1165 HydrophobicContact CD1-CG2 3.59Å |
| 1081 | M | 53.8 | Low | 42.2 | Very low | 17 Ų | 17 | 63.2 Ų | 63.2 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.8 | 174.1 | -54.8 | -161.3 | -62.8 | 0 | 0 | 111.5 | L1067 L1079 L1087 P1110 N1111 Y1113 L1125 | L1067-M1081 HydrophobicContact CD2-SD 3.74Å; L1079-M1081 HydrophobicContact CD2-CG 3.3Å; L1079-M1081 HydrophobicContact CD2-SD 3.93Å; M1081-L1087 HydrophobicContact CE-CD1 3.9Å; M1081-P1110 WeakPolarHBondContact O-CA 3.48Å; M1081-P1110 WeakPolarHBondContact O-CB 3.14Å; M1081-N1111 PolarHBondContact N-O 2.71Å; M1081-N1111 PolarHBondContact O-N 3.36Å; M1081-Y1113 HydrophobicContact CB-CD2 4.3Å; M1081-Y1113 HydrophobicContact CB-CE2 3.97Å; M1081-Y1113 HydrophobicContact CE-CD1 4.45Å; M1081-Y1113 HydrophobicContact CE-CD2 3.83Å; M1081-Y1113 HydrophobicContact CE-CE1 4.14Å; M1081-Y1113 HydrophobicContact CE-CE2 3.49Å; M1081-Y1113 VanDerWaalsContact CE-CE2 3.49Å; M1081-Y1113 HydrophobicContact CE-CG 4.3Å; M1081-Y1113 HydrophobicContact CG-CD2 4.1Å; M1081-Y1113 HydrophobicContact CG-CE2 4.18Å; M1081-L1125 HydrophobicContact CE-CD1 3.84Å; M1081-L1125 HydrophobicContact SD-CD1 4.14Å |
| 1082 | T | 50.6 | Low | 41.2 | Very low | 20 Ų | 20 | 69.2 Ų | 69.2 | 12% | 0.123 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.1 | 158.4 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | Q1068 I1070 P1110 V1153 | Q1068-T1082 WeakPolarHBondContact CB-OG1 3.25Å; Q1068-T1082 PolarHBondContact OE1-OG1 2.92Å; I1070-T1082 HydrophobicContact CD1-CG2 3.74Å; T1082-P1110 HydrophobicContact CG2-CB 3.89Å; T1082-V1153 HydrophobicContact CG2-CB 3.88Å; T1082-V1153 HydrophobicContact CG2-CG1 3.69Å |
| 1083 | G | 47.1 | Very low | 40.6 | Very low | 52 Ų | 52 | 77 Ų | 77 | 54% | 0.536 | 46% | 0.456 | S | S | . | . | trans | 177.6 | 141.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1085 | G1083-G1085 VanDerWaalsContact C-N 3.27Å; G1083-G1085 PolarHBondContact O-N 2.54Å | ||
| 1084 | E | 38.9 | Very low | 39.8 | Very low | 168 Ų | 168 | 80.5 Ų | 80.5 | 79% | 0.785 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -84.5 | 66.4 | 178 | -65.6 | -174.6 | -172.9 | 0 | 0 | 110.9 | K1152 | E1084-K1152 IonicContact OE1-NZ 2.69Å; E1084-K1152 PolarHBondContact OE1-NZ 2.64Å |
| 1085 | G | 33.4 | Very low | 39 | Very low | 56 Ų | 56 | 86 Ų | 86 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -168.4 | 157 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1083 | G1083-G1085 VanDerWaalsContact C-N 3.27Å; G1083-G1085 PolarHBondContact O-N 2.54Å |
| 1086 | C | 29.3 | Very low | 38 | Very low | 102 Ų | 102 | 85.7 Ų | 85.7 | 69% | 0.689 | 51% | 0.513 | S | S | * | . | trans | -101.1 | 124.6 | 172.6 | -166.6 | 0 | 0 | 0 | 0 | 109.2 | D1088 | C1086-D1088 VanDerWaalsContact C-N 3.34Š| ||
| 1087 | L | 27.7 | Very low | 37 | Very low | 125 Ų | 125 | 92.7 Ų | 92.7 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | trans | -94.9 | 16.6 | -179.1 | -105.5 | 166 | 0 | 0 | 0 | 113.2 | M1081 S1089 | M1081-L1087 HydrophobicContact CE-CD1 3.9Å; L1087-S1089 PolarHBondContact O-N 2.91Å | ||
| 1088 | D | 28.3 | Very low | 35.4 | Very low | 125 Ų | 125 | 98.8 Ų | 98.8 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | trans | -75.4 | 115.4 | 177.2 | -80.6 | -17.9 | 0 | 0 | 0 | 111.9 | C1086 | C1086-D1088 VanDerWaalsContact C-N 3.34Š| ||
| 1089 | S | 25.7 | Very low | 34 | Very low | 106 Ų | 106 | 103.4 Ų | 103.4 | 74% | 0.741 | 61% | 0.609 | S | S | * | * | trans | -114.8 | 118.2 | 163.5 | 57 | 0 | 0 | 0 | 0 | 110.7 | L1087 | L1087-S1089 PolarHBondContact O-N 2.91Š| ||
| 1090 | V | 25.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 109.4 Ų | 109.4 | 70% | 0.703 | 65% | 0.651 | S | S | * | * | trans | 67.5 | 67.6 | 168.4 | -160.2 | 0 | 0 | 0 | 0 | 116.3 | H1092 | V1090-H1092 HydrophobicContact CG1-CB 4.47Å; V1090-H1092 WeakPolarHBondContact CG1-CD2 3.21Å; V1090-H1092 PolarHBondContact O-N 3.14Å | ||
| 1091 | S | 25.3 | Very low | 30.8 | Very low | 104 Ų | 104 | 113.3 Ų | 113.3 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -87.4 | 84.2 | 148.8 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | H1093 | S1091-H1093 PolarHBondContact O-N 3.04Š| ||
| 1092 | H | 24.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 123.6 Ų | 123.6 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | trans | -72.6 | 87.1 | 173.8 | -92.6 | -51.9 | 0 | 0 | 0 | 111.4 | V1090 | V1090-H1092 HydrophobicContact CG1-CB 4.47Å; V1090-H1092 WeakPolarHBondContact CG1-CD2 3.21Å; V1090-H1092 PolarHBondContact O-N 3.14Å | ||
| 1093 | H | 28.2 | Very low | 28.4 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 88% | 0.884 | 76% | 0.757 | S | S | * | * | trans | -129.7 | 149.1 | 152.5 | -94.6 | -79.6 | 0 | 0 | 0 | 110.7 | S1091 | S1091-H1093 PolarHBondContact O-N 3.04Š| ||
| 1094 | V | 25.8 | Very low | 27.7 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -114.3 | 154.3 | -165.4 | 177.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1095 | D | 26.7 | Very low | 27.6 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 68.7 | 132.8 | -176.7 | -49.8 | -45.9 | 0 | 0 | 0 | 115 | ||||
| 1096 | G | 26.1 | Very low | 28.2 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | 167.1 | 165.7 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1097 | I | 28.7 | Very low | 29.1 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | 77 | 136 | 172.6 | -53.8 | 176.1 | 0 | 0 | 0 | 116.3 | ||||
| 1098 | E | 24.2 | Very low | 30.4 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -87.4 | 147.9 | -176 | -52.5 | 154.4 | 130.7 | 0 | 0 | 111.9 | ||||
| 1099 | S | 26.5 | Very low | 32.1 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | -154.2 | 130.1 | 146 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1100 | S | 24.4 | Very low | 33.8 | Very low | 127 Ų | 127 | 127 Ų | 127 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | trans | -87.1 | 117.4 | -179.3 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1101 | A | 27 | Very low | 35.8 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 69% | 0.694 | 66% | 0.663 | S | S | * | * | trans | -145.3 | 137.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1103 | A1101-I1103 PolarHBondContact O-N 3.46Š| ||
| 1102 | Y | 27.4 | Very low | 37.8 | Very low | 233 Ų | 233 | 118.3 Ų | 118.3 | 91% | 0.914 | 63% | 0.629 | S | S | * | * | trans | -16.4 | 104.4 | 176.2 | -72.4 | -95.5 | 0 | 0 | 0 | 116.3 | K1104 | Y1102-K1104 PolarHBondContact O-N 3.41Š| ||
| 1103 | I | 26.2 | Very low | 39.8 | Very low | 164 Ų | 164 | 111.8 Ų | 111.8 | 84% | 0.841 | 60% | 0.598 | S | S | * | * | trans | -70.8 | 93.8 | 167.9 | -56.8 | 175.6 | 0 | 0 | 0 | 107.8 | A1101 I1105 | A1101-I1103 PolarHBondContact O-N 3.46Å; I1103-I1105 PolarHBondContact O-N 3.18Å | ||
| 1104 | K | 31.6 | Very low | 41.5 | Very low | 177 Ų | 177 | 106.2 Ų | 106.2 | 77% | 0.77 | 57% | 0.572 | S | S | * | * | trans | -57.8 | 130.7 | 163.3 | -78.1 | -173 | 172.1 | -173 | 0 | 108.1 | Y1102 I1106 | Y1102-K1104 PolarHBondContact O-N 3.41Å; K1104-I1106 HydrophobicContact CB-CG1 4.39Å; K1104-I1106 PolarHBondContact O-N 3.04Å | ||
| 1105 | I | 37.3 | Very low | 43.1 | Very low | 160 Ų | 160 | 101.5 Ų | 101.5 | 82% | 0.821 | 54% | 0.543 | S | S | * | . | trans | -75.5 | 83.1 | 175.5 | -55.2 | 176.9 | 0 | 0 | 0 | 107.5 | I1103 | I1103-I1105 PolarHBondContact O-N 3.18Š| ||
| 1106 | I | 45.4 | Very low | 44.4 | Very low | 127 Ų | 127 | 98.9 Ų | 98.9 | 65% | 0.651 | 52% | 0.524 | S | S | * | . | trans | -73.8 | 130.2 | 172.1 | -60.8 | 171.1 | 0 | 0 | 0 | 107 | K1104 K1108 | K1104-I1106 HydrophobicContact CB-CG1 4.39Å; K1104-I1106 PolarHBondContact O-N 3.04Å; I1106-K1108 PolarHBondContact O-N 2.72Å; I1106-K1108 VanDerWaalsContact O-N 3.12Å | ||
| 1107 | P | 50 | Low | 45.5 | Very low | 28 Ų | 28 | 100.4 Ų | 100.4 | 18% | 0.182 | 51% | 0.509 | C | S | . | . | trans | -61.2 | 118.9 | 176.4 | 26.2 | -35 | 0 | 0 | 0 | 109.4 | L1109 L1133 S1151 | P1107-L1109 PolarHBondContact O-N 3.38Å; P1107-L1133 HydrophobicContact CG-CD1 3.76Å; P1107-S1151 VanDerWaalsContact CB-O 3.31Å; P1107-S1151 WeakPolarHBondContact CB-O 3.47Å | ||
| 1108 | K | 54.9 | Low | 46.2 | Very low | 155 Ų | 155 | 93.6 Ų | 93.6 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | trans | -70.3 | 98.5 | 176.8 | -74.9 | -172.4 | 173.7 | -173.9 | 0 | 109.3 | I1106 | I1106-K1108 PolarHBondContact O-N 2.72Å; I1106-K1108 VanDerWaalsContact O-N 3.12Å | ||
| 1109 | L | 62.2 | Low | 46.9 | Very low | 13 Ų | 13 | 91.6 Ų | 91.6 | 7% | 0.068 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 157.2 | 164.5 | -67.1 | -170.1 | 0 | 0 | 0 | 110.4 | P1107 L1131 L1133 V1153 V1167 L1169 W1184 | P1107-L1109 PolarHBondContact O-N 3.38Å; L1109-L1131 HydrophobicContact CB-CB 3.92Å; L1109-L1131 HydrophobicContact CD1-CB 3.86Å; L1109-L1133 HydrophobicContact CD1-CD2 4.02Å; L1109-L1133 HydrophobicContact CD1-CG 3.92Å; L1109-L1133 HydrophobicContact CD2-CD2 4.21Å; L1109-L1133 HydrophobicContact CD2-CG 4.23Å; L1109-L1133 HydrophobicContact CG-CG 4.2Å; L1109-V1153 HydrophobicContact CD2-CG2 4.12Å; L1109-V1167 HydrophobicContact CD2-CG1 4.23Å; L1109-L1169 HydrophobicContact CD2-CD2 4.35Å; L1109-W1184 HydrophobicContact CD1-CH2 3.77Å; L1109-W1184 HydrophobicContact CD1-CZ2 3.59Å |
| 1110 | P | 63 | Low | 47.3 | Very low | 2 Ų | 2 | 87.6 Ų | 87.6 | 1% | 0.013 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -67 | 147.1 | 178.4 | 28.1 | -34.8 | 0 | 0 | 0 | 111.7 | I1080 M1081 T1082 L1131 | I1080-P1110 HydrophobicContact CG2-CB 3.45Å; I1080-P1110 VanDerWaalsContact CG2-CB 3.45Å; I1080-P1110 HydrophobicContact CG2-CG 3.68Å; M1081-P1110 WeakPolarHBondContact O-CA 3.48Å; M1081-P1110 WeakPolarHBondContact O-CB 3.14Å; T1082-P1110 HydrophobicContact CG2-CB 3.89Å; P1110-L1131 HydrophobicContact CG-CD1 4.4Å |
| 1111 | N | 67 | Low | 48.2 | Very low | 37 Ų | 37 | 83.4 Ų | 83.4 | 20% | 0.198 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.5 | 166.7 | -78.8 | 3.6 | 0 | 0 | 0 | 109.7 | M1081 Y1113 E1130 | M1081-N1111 PolarHBondContact N-O 2.71Å; M1081-N1111 PolarHBondContact O-N 3.36Å; N1111-Y1113 HydrophobicContact CB-CD2 4.33Å; N1111-Y1113 HydrophobicContact CB-CE2 3.48Å; N1111-Y1113 VanDerWaalsContact CB-CE2 3.48Å; N1111-Y1113 VanDerWaalsContact O-CD2 3.3Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.4Å; N1111-Y1113 WeakPolarHBondContact O-CE2 3.4Å; N1111-E1130 WeakPolarHBondContact OD1-CA 3.41Å |
| 1112 | V | 67.7 | Low | 48.5 | Very low | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.006 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.2 | -180 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | L1078 S1128 R1129 L1131 I1165 | L1078-V1112 HydrophobicContact CD2-CG1 3.41Å; L1078-V1112 VanDerWaalsContact CD2-CG1 3.41Å; V1112-S1128 WeakPolarHBondContact CG1-OG 3.29Å; V1112-S1128 PolarHBondContact O-N 2.85Å; V1112-S1128 PolarHBondContact O-OG 2.85Å; V1112-R1129 HydrophobicContact CB-CB 4.49Å; V1112-R1129 PolarHBondContact N-O 2.83Å; V1112-R1129 PolarHBondContact O-N 2.8Å; V1112-L1131 HydrophobicContact CG2-CD1 4.07Å; V1112-L1131 HydrophobicContact CG2-CD2 4.24Å; V1112-L1131 HydrophobicContact CG2-CG 3.88Å; V1112-I1165 HydrophobicContact CG1-CD1 4.33Å; V1112-I1165 HydrophobicContact CG2-CD1 3.71Å |
| 1113 | Y | 65.2 | Low | 49.2 | Very low | 25 Ų | 25 | 79.9 Ų | 79.9 | 10% | 0.098 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.4 | 179.3 | -59.2 | -94.8 | 0 | 0 | 0 | 110.9 | L1079 M1081 N1111 L1125 D1126 C1127 | L1079-Y1113 PolarHBondContact N-O 3.32Å; L1079-Y1113 PolarHBondContact O-N 2.8Å; M1081-Y1113 HydrophobicContact CB-CD2 4.3Å; M1081-Y1113 HydrophobicContact CB-CE2 3.97Å; M1081-Y1113 HydrophobicContact CE-CD1 4.45Å; M1081-Y1113 HydrophobicContact CE-CD2 3.83Å; M1081-Y1113 HydrophobicContact CE-CE1 4.14Å; M1081-Y1113 HydrophobicContact CE-CE2 3.49Å; M1081-Y1113 VanDerWaalsContact CE-CE2 3.49Å; M1081-Y1113 HydrophobicContact CE-CG 4.3Å; M1081-Y1113 HydrophobicContact CG-CD2 4.1Å; M1081-Y1113 HydrophobicContact CG-CE2 4.18Å; N1111-Y1113 HydrophobicContact CB-CD2 4.33Å; N1111-Y1113 HydrophobicContact CB-CE2 3.48Å; N1111-Y1113 VanDerWaalsContact CB-CE2 3.48Å; N1111-Y1113 VanDerWaalsContact O-CD2 3.3Å; N1111-Y1113 WeakPolarHBondContact O-CD2 3.4Å; N1111-Y1113 WeakPolarHBondContact O-CE2 3.4Å; Y1113-L1125 HydrophobicContact CD1-CB 3.92Å; Y1113-L1125 HydrophobicContact CG-CB 4.32Å; Y1113-D1126 WeakPolarHBondContact CA-O 3.45Å; Y1113-C1127 HydrophobicContact CD1-CB 3.79Å; Y1113-C1127 HydrophobicContact CE1-CB 3.69Å |
| 1114 | H | 64.1 | Low | 50.3 | Low | 73 Ų | 73 | 80.3 Ų | 80.3 | 34% | 0.338 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.7 | 174.1 | -134.9 | -36.4 | 0 | 0 | 0 | 109.5 | D1077 K1116 D1126 | D1077-H1114 PolarHBondContact O-ND1 3.47Å; H1114-K1116 VanDerWaalsContact C-N 3.3Å; H1114-K1116 PolarHBondContact O-N 2.88Å; H1114-D1126 PolarHBondContact N-O 3.49Å; H1114-D1126 PolarHBondContact O-N 2.75Å; H1114-D1126 VanDerWaalsContact O-N 3.07Å |
| 1115 | L | 59.6 | Low | 51.2 | Low | 14 Ų | 14 | 74.3 Ų | 74.3 | 7% | 0.073 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 69.8 | 178.2 | -84.7 | 167 | 0 | 0 | 0 | 111.7 | D1077 L1079 R1117 L1123 R1124 L1125 | D1077-L1115 HydrophobicContact CB-CB 4.25Å; D1077-L1115 PolarHBondContact O-N 3.5Å; L1079-L1115 HydrophobicContact CB-CD1 4.14Å; L1079-L1115 HydrophobicContact CB-CG 4.34Å; L1079-L1115 HydrophobicContact CD1-CD1 3.8Å; L1079-L1115 HydrophobicContact CD1-CG 4.39Å; L1115-R1117 PolarHBondContact O-N 3.11Å; L1115-L1123 HydrophobicContact CD2-CB 4.24Å; L1115-L1123 HydrophobicContact CD2-CD1 4.35Å; L1115-L1123 HydrophobicContact CD2-CD2 4.22Å; L1115-R1124 CarbonylContact C-O 3.36Å; L1115-L1125 HydrophobicContact CD2-CD2 3.49Å; L1115-L1125 VanDerWaalsContact CD2-CD2 3.49Å; L1115-L1125 HydrophobicContact CD2-CG 4.42Å; L1115-L1125 HydrophobicContact CG-CD2 3.82Å |
| 1116 | K | 53.2 | Low | 52.1 | Low | 108 Ų | 108 | 69.4 Ų | 69.4 | 47% | 0.47 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 116.7 | 175.9 | -68.2 | -173.8 | -167.1 | 159.5 | 0 | 110.8 | H1114 G1118 R1124 D1126 | H1114-K1116 VanDerWaalsContact C-N 3.3Å; H1114-K1116 PolarHBondContact O-N 2.88Å; K1116-G1118 PolarHBondContact O-N 2.64Å; K1116-G1118 VanDerWaalsContact O-N 3.16Å; K1116-R1124 PolarHBondContact N-O 2.98Å; K1116-R1124 PolarHBondContact O-N 2.8Å; K1116-D1126 HydrophobicContact CD-CB 4.4Å; K1116-D1126 WeakPolarHBondContact CD-OD2 3.45Å; K1116-D1126 WeakPolarHBondContact CE-OD2 3.12Å; K1116-D1126 IonicContact NZ-OD2 4Å; K1116-D1126 PolarHBondContact NZ-OD2 2.81Å |
| 1117 | R | 49.8 | Very low | 52.9 | Low | 99 Ų | 99 | 66.2 Ų | 66.2 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 108 | 160.9 | -82.1 | -170.3 | 166.9 | -165 | -6.2 | 109.7 | L1115 L1123 | L1115-R1117 PolarHBondContact O-N 3.11Å; R1117-L1123 HydrophobicContact CG-CD2 3.51Å; R1117-L1123 HydrophobicContact CG-CG 4.49Å |
| 1118 | G | 44.8 | Very low | 53.5 | Low | 31 Ų | 31 | 67.8 Ų | 67.8 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | trans | -67.5 | 161.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1116 G1120 G1121 K1122 | K1116-G1118 PolarHBondContact O-N 2.64Å; K1116-G1118 VanDerWaalsContact O-N 3.16Å; G1118-G1120 PolarHBondContact O-N 2.9Å; G1118-G1121 PolarHBondContact O-N 3.3Å; G1118-K1122 PolarHBondContact N-O 2.79Å | ||
| 1119 | S | 38.4 | Very low | 53.9 | Low | 146 Ų | 146 | 63.9 Ų | 63.9 | 100% | 1.021 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 11.4 | -174.9 | 54.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1120 | G | 34.9 | Very low | 54.2 | Low | 35 Ų | 35 | 68.2 Ų | 68.2 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1118 K1122 T1984 | G1118-G1120 PolarHBondContact O-N 2.9Å; G1120-K1122 PolarHBondContact O-N 3.07Å; G1120-T1984 PolarHBondContact O-OG1 3.32Å |
| 1121 | G | 42.4 | Very low | 54.6 | Low | 40 Ų | 40 | 68.5 Ų | 68.5 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 71.6 | -22.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | G1118 L1123 | G1118-G1121 PolarHBondContact O-N 3.3Å; G1121-L1123 PolarHBondContact O-N 2.89Å |
| 1122 | K | 33.7 | Very low | 54.6 | Low | 167 Ų | 167 | 75.5 Ų | 75.5 | 73% | 0.726 | 39% | 0.388 | S | S | * | . | trans | -59.4 | 120.8 | 176.3 | -67.5 | -169.2 | 174.9 | -167.6 | 0 | 111.2 | G1118 G1120 | G1118-K1122 PolarHBondContact N-O 2.79Å; G1120-K1122 PolarHBondContact O-N 3.07Å | ||
| 1123 | L | 42.4 | Very low | 54.7 | Low | 75 Ų | 75 | 77.3 Ų | 77.3 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.1 | 161.5 | -65.9 | 166.1 | 0 | 0 | 0 | 108.6 | L1115 R1117 G1121 | L1115-L1123 HydrophobicContact CD2-CB 4.24Å; L1115-L1123 HydrophobicContact CD2-CD1 4.35Å; L1115-L1123 HydrophobicContact CD2-CD2 4.22Å; R1117-L1123 HydrophobicContact CG-CD2 3.51Å; R1117-L1123 HydrophobicContact CG-CG 4.49Å; G1121-L1123 PolarHBondContact O-N 2.89Å |
| 1124 | R | 48.1 | Very low | 54.8 | Low | 174 Ų | 174 | 76.7 Ų | 76.7 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.3 | 162.8 | -77.6 | -176.3 | 168.3 | 175.1 | -4.9 | 108.3 | L1115 K1116 | L1115-R1124 CarbonylContact C-O 3.36Å; K1116-R1124 PolarHBondContact N-O 2.98Å; K1116-R1124 PolarHBondContact O-N 2.8Å |
| 1125 | L | 51.1 | Low | 54.7 | Low | 50 Ų | 50 | 83.4 Ų | 83.4 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 95.4 | 161.7 | -68.4 | 177.4 | 0 | 0 | 0 | 107.3 | L1039 M1081 Y1113 L1115 C1127 | L1039-L1125 HydrophobicContact CD1-CD1 4.39Å; L1039-L1125 HydrophobicContact CD2-CD1 3.72Å; L1039-L1125 HydrophobicContact CD2-CG 4.3Å; M1081-L1125 HydrophobicContact CE-CD1 3.84Å; M1081-L1125 HydrophobicContact SD-CD1 4.14Å; Y1113-L1125 HydrophobicContact CD1-CB 3.92Å; Y1113-L1125 HydrophobicContact CG-CB 4.32Å; L1115-L1125 HydrophobicContact CD2-CD2 3.49Å; L1115-L1125 VanDerWaalsContact CD2-CD2 3.49Å; L1115-L1125 HydrophobicContact CD2-CG 4.42Å; L1115-L1125 HydrophobicContact CG-CD2 3.82Å; L1125-C1127 PolarHBondContact O-N 3.35Å |
| 1126 | D | 56.8 | Low | 55 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 31% | 0.305 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113 | 167.1 | -80.3 | 21.5 | 0 | 0 | 0 | 106.9 | Y1113 H1114 K1116 S1128 | Y1113-D1126 WeakPolarHBondContact CA-O 3.45Å; H1114-D1126 PolarHBondContact N-O 3.49Å; H1114-D1126 PolarHBondContact O-N 2.75Å; H1114-D1126 VanDerWaalsContact O-N 3.07Å; K1116-D1126 HydrophobicContact CD-CB 4.4Å; K1116-D1126 WeakPolarHBondContact CD-OD2 3.45Å; K1116-D1126 WeakPolarHBondContact CE-OD2 3.12Å; K1116-D1126 IonicContact NZ-OD2 4Å; K1116-D1126 PolarHBondContact NZ-OD2 2.81Å; D1126-S1128 PolarHBondContact O-N 3.39Å; D1126-S1128 VanDerWaalsContact O-N 3.1Å |
| 1127 | C | 61.6 | Low | 55.3 | Low | 61 Ų | 61 | 82.1 Ų | 82.1 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 112.5 | 172.3 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | Y1113 L1125 | Y1113-C1127 HydrophobicContact CD1-CB 3.79Å; Y1113-C1127 HydrophobicContact CE1-CB 3.69Å; L1125-C1127 PolarHBondContact O-N 3.35Å |
| 1128 | S | 62.4 | Low | 55.7 | Low | 60 Ų | 60 | 81.9 Ų | 81.9 | 42% | 0.42 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -40.5 | -174.3 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | V1112 D1126 | V1112-S1128 WeakPolarHBondContact CG1-OG 3.29Å; V1112-S1128 PolarHBondContact O-N 2.85Å; V1112-S1128 PolarHBondContact O-OG 2.85Å; D1126-S1128 PolarHBondContact O-N 3.39Å; D1126-S1128 VanDerWaalsContact O-N 3.1Å |
| 1129 | R | 64.4 | Low | 56.3 | Low | 74 Ų | 74 | 87.2 Ų | 87.2 | 28% | 0.279 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 139.2 | 176.8 | -60 | -172.7 | -171.3 | 164.6 | 10.7 | 111.6 | V1112 L1179 | V1112-R1129 HydrophobicContact CB-CB 4.49Å; V1112-R1129 PolarHBondContact N-O 2.83Å; V1112-R1129 PolarHBondContact O-N 2.8Å; R1129-L1179 VanDerWaalsContact CZ-O 3.25Å; R1129-L1179 PolarHBondContact NH1-O 3.06Å; R1129-L1179 PolarHBondContact NH2-O 3.33Å |
| 1130 | E | 68.6 | Low | 57.6 | Low | 103 Ų | 103 | 82 Ų | 82 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 128.8 | 155.7 | -58.5 | -167.2 | 137.3 | 0 | 0 | 108.7 | N1111 R1132 | N1111-E1130 WeakPolarHBondContact OD1-CA 3.41Å; E1130-R1132 IonicContact OE2-CZ 3.76Å; E1130-R1132 IonicContact OE2-NE 3.63Å; E1130-R1132 PolarHBondContact OE2-NE 3.49Å; E1130-R1132 IonicContact OE2-NH2 2.64Å; E1130-R1132 PolarHBondContact OE2-NH2 2.85Å |
| 1131 | L | 69.6 | Low | 59.2 | Low | 8 Ų | 8 | 83.6 Ų | 83.6 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | trans | -81.2 | 141.7 | 168.9 | -64.4 | 178.1 | 0 | 0 | 0 | 109.7 | L1109 P1110 V1112 I1165 V1167 Y1177 | L1109-L1131 HydrophobicContact CB-CB 3.92Å; L1109-L1131 HydrophobicContact CD1-CB 3.86Å; P1110-L1131 HydrophobicContact CG-CD1 4.4Å; V1112-L1131 HydrophobicContact CG2-CD1 4.07Å; V1112-L1131 HydrophobicContact CG2-CD2 4.24Å; V1112-L1131 HydrophobicContact CG2-CG 3.88Å; L1131-I1165 HydrophobicContact CD1-CD1 4.27Å; L1131-I1165 HydrophobicContact CD1-CG2 4.41Å; L1131-V1167 HydrophobicContact CD1-CG2 4.39Å; L1131-Y1177 HydrophobicContact CD2-CD1 3.62Å; L1131-Y1177 HydrophobicContact CD2-CD2 4.17Å; L1131-Y1177 HydrophobicContact CD2-CE1 3.64Å; L1131-Y1177 HydrophobicContact CD2-CE2 4.2Å; L1131-Y1177 HydrophobicContact CD2-CG 3.89Å | ||
| 1132 | R | 68.6 | Low | 60.5 | Low | 184 Ų | 184 | 82 Ų | 82 | 69% | 0.694 | 39% | 0.393 | S | S | * | . | trans | -136.1 | 135.8 | 173.5 | -60.5 | -176.6 | -176.3 | -177.7 | 0.3 | 108.7 | E1130 W1184 | E1130-R1132 IonicContact OE2-CZ 3.76Å; E1130-R1132 IonicContact OE2-NE 3.63Å; E1130-R1132 PolarHBondContact OE2-NE 3.49Å; E1130-R1132 IonicContact OE2-NH2 2.64Å; E1130-R1132 PolarHBondContact OE2-NH2 2.85Å; R1132-W1184 WeakPolarHBondContact O-CZ2 3.49Å; R1132-W1184 PolarHBondContact O-NE1 3.04Å | ||
| 1133 | L | 69.7 | Low | 61.9 | Low | 39 Ų | 39 | 76.1 Ų | 76.1 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | trans | -58.5 | 147.4 | 172.9 | -71.2 | 174.8 | 0 | 0 | 0 | 109.5 | P1107 L1109 Y1142 W1175 W1184 | P1107-L1133 HydrophobicContact CG-CD1 3.76Å; L1109-L1133 HydrophobicContact CD1-CD2 4.02Å; L1109-L1133 HydrophobicContact CD1-CG 3.92Å; L1109-L1133 HydrophobicContact CD2-CD2 4.21Å; L1109-L1133 HydrophobicContact CD2-CG 4.23Å; L1109-L1133 HydrophobicContact CG-CG 4.2Å; L1133-Y1142 HydrophobicContact CD1-CE1 4.31Å; L1133-W1175 HydrophobicContact CD2-CD2 4.3Å; L1133-W1175 HydrophobicContact CD2-CG 4.43Å; L1133-W1184 HydrophobicContact CD2-CZ2 4.48Å | ||
| 1134 | P | 66.6 | Low | 62.9 | Low | 13 Ų | 13 | 77.7 Ų | 77.7 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | trans | -61.9 | 145.8 | -177 | 27 | -34 | 0 | 0 | 0 | 110.8 | L1136 W1175 E1279 | P1134-L1136 PolarHBondContact O-N 3.05Å; P1134-W1175 HydrophobicContact CG-CH2 3.8Å; P1134-W1175 HydrophobicContact CG-CZ3 3.76Å; P1134-E1279 HydrophobicContact CB-CB 4.13Å | ||
| 1135 | Y | 62.8 | Low | 63.7 | Low | 213 Ų | 213 | 70.6 Ų | 70.6 | 84% | 0.835 | 35% | 0.353 | S | S | * | . | trans | -75.5 | 98.3 | -179.1 | -177.1 | -91.8 | 0 | 0 | 0 | 110.5 | ||||
| 1136 | L | 64.7 | Low | 64.1 | Low | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | trans | -87.3 | 144.1 | 177 | -61.3 | 167.6 | 0 | 0 | 0 | 110.7 | P1134 H1140 Y1142 P1143 L1283 | P1134-L1136 PolarHBondContact O-N 3.05Å; L1136-H1140 HydrophobicContact CB-CB 4.3Å; L1136-Y1142 HydrophobicContact CD1-CD1 3.72Å; L1136-Y1142 HydrophobicContact CD1-CG 4.22Å; L1136-P1143 HydrophobicContact CB-CG 4.04Å; L1136-P1143 HydrophobicContact CD1-CG 4.41Å; L1136-L1283 HydrophobicContact CD1-CD1 3.46Å; L1136-L1283 VanDerWaalsContact CD1-CD1 3.46Å; L1136-L1283 HydrophobicContact CD2-CD1 3.96Å; L1136-L1283 HydrophobicContact CG-CD1 4.37Å | ||
| 1137 | P | 59.7 | Low | 64.1 | Low | 74 Ų | 74 | 71.6 Ų | 71.6 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | trans | -55.2 | 152.6 | 171.2 | -25.2 | 34.9 | 0 | 0 | 0 | 112.4 | D1139 H1140 | P1137-D1139 PolarHBondContact O-N 2.94Å; P1137-H1140 WeakPolarHBondContact O-CB 3.3Å; P1137-H1140 PolarHBondContact O-N 3.07Å; P1137-H1140 VanDerWaalsContact O-N 3.15Å | ||
| 1138 | S | 57.8 | Low | 63.9 | Low | 95 Ų | 95 | 75.6 Ų | 75.6 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -25 | 175.3 | 41.7 | 0 | 0 | 0 | 0 | 114.2 | H1140 | S1138-H1140 VanDerWaalsContact C-N 3.34Š|
| 1139 | D | 58.8 | Low | 63.6 | Low | 143 Ų | 143 | 73.8 Ų | 73.8 | 77% | 0.765 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -0.7 | -169 | -48.6 | -1.8 | 0 | 0 | 0 | 111.3 | P1137 | P1137-D1139 PolarHBondContact O-N 2.94Š|
| 1140 | H | 64.9 | Low | 63.3 | Low | 36 Ų | 36 | 77.3 Ų | 77.3 | 17% | 0.167 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -83.2 | 143.9 | 176 | -155.2 | -48.7 | 0 | 0 | 0 | 111 | L1136 P1137 S1138 Y1142 P1143 | L1136-H1140 HydrophobicContact CB-CB 4.3Å; P1137-H1140 WeakPolarHBondContact O-CB 3.3Å; P1137-H1140 PolarHBondContact O-N 3.07Å; P1137-H1140 VanDerWaalsContact O-N 3.15Å; S1138-H1140 VanDerWaalsContact C-N 3.34Å; H1140-Y1142 PolarHBondContact O-N 2.93Å; H1140-P1143 WeakPolarHBondContact O-CD 3.23Å |
| 1141 | W | 69 | Low | 63.1 | Low | 68 Ų | 68 | 72.9 Ų | 72.9 | 26% | 0.258 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.3 | -26.8 | -178.4 | 60.5 | -99.9 | 0 | 0 | 0 | 115 | Q1144 L1145 F1173 V1226 L1283 L1288 | W1141-Q1144 WeakPolarHBondContact O-CB 3.47Å; W1141-Q1144 PolarHBondContact O-N 2.85Å; W1141-L1145 HydrophobicContact CE3-CD1 4.4Å; W1141-L1145 HydrophobicContact CZ3-CD1 4.25Å; W1141-L1145 PolarHBondContact O-N 3.29Å; W1141-L1145 VanDerWaalsContact O-N 3.15Å; W1141-F1173 AromaticContact CH2-CE1 3.87Å; W1141-F1173 HydrophobicContact CH2-CE1 3.87Å; W1141-F1173 AromaticContact CH2-CZ 3.73Å; W1141-F1173 HydrophobicContact CH2-CZ 3.73Å; W1141-F1173 HydrophobicContact CZ3-CE1 4.27Å; W1141-F1173 HydrophobicContact CZ3-CE2 4.5Å; W1141-F1173 AromaticContact CZ3-CZ 3.68Å; W1141-F1173 HydrophobicContact CZ3-CZ 3.68Å; W1141-V1226 HydrophobicContact CH2-CB 4.1Å; W1141-V1226 HydrophobicContact CH2-CG1 3.72Å; W1141-V1226 HydrophobicContact CH2-CG2 4.43Å; W1141-V1226 HydrophobicContact CZ2-CB 4.37Å; W1141-V1226 HydrophobicContact CZ2-CG1 4.34Å; W1141-V1226 HydrophobicContact CZ2-CG2 4.25Å; W1141-V1226 HydrophobicContact CZ3-CB 4.28Å; W1141-V1226 HydrophobicContact CZ3-CG1 4.04Å; W1141-L1283 HydrophobicContact CH2-CD2 4.31Å; W1141-L1283 HydrophobicContact CZ2-CD2 4.25Å; W1141-L1288 HydrophobicContact CH2-CD2 4.04Å; W1141-L1288 HydrophobicContact CZ2-CD2 3.84Å |
| 1142 | Y | 70.3 | Confident | 62.9 | Low | 6 Ų | 6 | 78.4 Ų | 78.4 | 2% | 0.024 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.3 | -43.7 | -172.5 | 179.9 | -89.3 | 0 | 0 | 0 | 113.6 | L1133 L1136 H1140 Q1144 L1145 C1146 L1169 F1173 W1175 L1283 | L1133-Y1142 HydrophobicContact CD1-CE1 4.31Å; L1136-Y1142 HydrophobicContact CD1-CD1 3.72Å; L1136-Y1142 HydrophobicContact CD1-CG 4.22Å; H1140-Y1142 PolarHBondContact O-N 2.93Å; Y1142-Q1144 PolarHBondContact O-N 3.16Å; Y1142-L1145 PolarHBondContact O-N 3.04Å; Y1142-C1146 WeakPolarHBondContact CE1-SG 3.42Å; Y1142-C1146 VanDerWaalsContact CZ-SG 3.58Å; Y1142-C1146 PolarHBondContact O-N 3.09Å; Y1142-L1169 WeakPolarHBondContact OH-CD1 3.31Å; Y1142-F1173 HydrophobicContact CD2-CE1 4.38Å; Y1142-F1173 HydrophobicContact CD2-CE2 4.42Å; Y1142-F1173 HydrophobicContact CD2-CZ 4.28Å; Y1142-F1173 HydrophobicContact CE2-CB 4.44Å; Y1142-F1173 HydrophobicContact CE2-CD1 4.1Å; Y1142-F1173 AromaticContact CE2-CD2 3.94Å; Y1142-F1173 HydrophobicContact CE2-CD2 3.94Å; Y1142-F1173 HydrophobicContact CE2-CE1 4.32Å; Y1142-F1173 HydrophobicContact CE2-CE2 4.18Å; Y1142-F1173 AromaticContact CE2-CG 3.89Å; Y1142-F1173 HydrophobicContact CE2-CG 3.89Å; Y1142-F1173 HydrophobicContact CE2-CZ 4.35Å; Y1142-W1175 HydrophobicContact CD1-CZ2 4.41Å; Y1142-W1175 AromaticContact CE1-CZ2 3.92Å; Y1142-W1175 HydrophobicContact CE1-CZ2 3.92Å; Y1142-W1175 HydrophobicContact CE2-CZ2 4.02Å; Y1142-W1175 AromaticContact CE2-NE1 3.97Å; Y1142-W1175 AromaticContact CZ-CE2 3.94Å; Y1142-W1175 AromaticContact CZ-CZ2 3.71Å; Y1142-W1175 AromaticContact CZ-NE1 3.57Å; Y1142-W1175 PolarHBondContact OH-NE1 3.34Å; Y1142-L1283 HydrophobicContact CG-CD1 4.14Å |
| 1143 | P | 63.2 | Low | 62.8 | Low | 45 Ų | 45 | 70.3 Ų | 70.3 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.1 | -31.7 | 168.1 | -31.2 | 35.9 | 0 | 0 | 0 | 115.4 | L1136 H1140 T1147 | L1136-P1143 HydrophobicContact CB-CG 4.04Å; L1136-P1143 HydrophobicContact CD1-CG 4.41Å; H1140-P1143 WeakPolarHBondContact O-CD 3.23Å; P1143-T1147 PolarHBondContact O-N 2.81Å |
| 1144 | Q | 62 | Low | 62.8 | Low | 107 Ų | 107 | 72.4 Ų | 72.4 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.9 | -42.1 | 178.1 | -57.7 | 172.4 | -0.2 | 0 | 0 | 110.6 | W1141 Y1142 C1146 T1147 D1148 | W1141-Q1144 WeakPolarHBondContact O-CB 3.47Å; W1141-Q1144 PolarHBondContact O-N 2.85Å; Y1142-Q1144 PolarHBondContact O-N 3.16Å; Q1144-C1146 VanDerWaalsContact C-N 3.26Å; Q1144-C1146 PolarHBondContact O-N 2.96Å; Q1144-T1147 PolarHBondContact O-N 3.09Å; Q1144-T1147 PolarHBondContact O-OG1 3.5Å; Q1144-D1148 PolarHBondContact O-N 3.25Å; Q1144-D1148 VanDerWaalsContact O-N 3.14Å |
| 1145 | L | 64.4 | Low | 63.2 | Low | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.7 | -33.7 | 175.3 | -162.1 | 151 | 0 | 0 | 0 | 112 | W1141 Y1142 S1149 D1171 F1173 V1228 | W1141-L1145 HydrophobicContact CE3-CD1 4.4Å; W1141-L1145 HydrophobicContact CZ3-CD1 4.25Å; W1141-L1145 PolarHBondContact O-N 3.29Å; W1141-L1145 VanDerWaalsContact O-N 3.15Å; Y1142-L1145 PolarHBondContact O-N 3.04Å; L1145-S1149 PolarHBondContact O-N 3.48Å; L1145-S1149 PolarHBondContact O-OG 2.94Å; L1145-D1171 HydrophobicContact CD2-CB 4.17Å; L1145-F1173 HydrophobicContact CD1-CE2 4.2Å; L1145-F1173 HydrophobicContact CD2-CD2 4.46Å; L1145-F1173 HydrophobicContact CD2-CE2 3.85Å; L1145-V1228 HydrophobicContact CD2-CG2 4.16Å |
| 1146 | C | 60.2 | Low | 63.8 | Low | 22 Ų | 22 | 63 Ų | 63 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -77.4 | -9.3 | 172.5 | -69.3 | 0 | 0 | 0 | 0 | 115.3 | Y1142 Q1144 S1149 | Y1142-C1146 WeakPolarHBondContact CE1-SG 3.42Å; Y1142-C1146 VanDerWaalsContact CZ-SG 3.58Å; Y1142-C1146 PolarHBondContact O-N 3.09Å; Q1144-C1146 VanDerWaalsContact C-N 3.26Å; Q1144-C1146 PolarHBondContact O-N 2.96Å; C1146-S1149 CarbonylContact C-O 3.52Å |
| 1147 | T | 57.5 | Low | 64.3 | Low | 107 Ų | 107 | 62.2 Ų | 62.2 | 66% | 0.656 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -91.8 | -30.8 | 168.6 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | P1143 Q1144 | P1143-T1147 PolarHBondContact O-N 2.81Å; Q1144-T1147 PolarHBondContact O-N 3.09Å; Q1144-T1147 PolarHBondContact O-OG1 3.5Å |
| 1148 | D | 57.8 | Low | 65.1 | Low | 144 Ų | 144 | 59.2 Ų | 59.2 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -87.7 | -29.6 | -175.7 | -63.2 | 2.5 | 0 | 0 | 0 | 111.6 | Q1144 | Q1144-D1148 PolarHBondContact O-N 3.25Å; Q1144-D1148 VanDerWaalsContact O-N 3.14Å |
| 1149 | S | 55.4 | Low | 65.9 | Low | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -104.1 | 131.6 | 167.2 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | L1145 C1146 S1151 | L1145-S1149 PolarHBondContact O-N 3.48Å; L1145-S1149 PolarHBondContact O-OG 2.94Å; C1146-S1149 CarbonylContact C-O 3.52Å; S1149-S1151 PolarHBondContact O-N 3.39Å |
| 1150 | N | 59 | Low | 66.4 | Low | 149 Ų | 149 | 53 Ų | 53 | 80% | 0.797 | 27% | 0.274 | S | S | * | . | trans | -72.9 | 73.9 | 173 | -82.4 | -51.2 | 0 | 0 | 0 | 109.8 | K1152 S1170 | N1150-K1152 PolarHBondContact O-N 3.08Å; N1150-S1170 PolarHBondContact O-OG 3.15Å | ||
| 1151 | S | 62.6 | Low | 66.6 | Low | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | trans | -70.1 | 97.8 | -174 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | P1107 S1149 D1171 | P1107-S1151 VanDerWaalsContact CB-O 3.31Å; P1107-S1151 WeakPolarHBondContact CB-O 3.47Å; S1149-S1151 PolarHBondContact O-N 3.39Å; S1151-D1171 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 1152 | K | 66.1 | Low | 66.6 | Low | 124 Ų | 124 | 52.3 Ų | 52.3 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | trans | -93.1 | 152.3 | 170.3 | -65.7 | -159.4 | 177.8 | -161.6 | 0 | 109.8 | E1084 N1150 H1154 L1169 S1170 | E1084-K1152 IonicContact OE1-NZ 2.69Å; E1084-K1152 PolarHBondContact OE1-NZ 2.64Å; N1150-K1152 PolarHBondContact O-N 3.08Å; K1152-H1154 PolarHBondContact O-N 2.82Å; K1152-L1169 CarbonylContact O-C 3.53Å; K1152-L1169 WeakPolarHBondContact O-CA 3.29Å; K1152-S1170 PolarHBondContact N-OG 2.99Å; K1152-S1170 PolarHBondContact O-N 3.38Å; K1152-S1170 PolarHBondContact O-OG 3.47Å | ||
| 1153 | V | 67.4 | Low | 66.9 | Low | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.085 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 114.1 | 168.9 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | I1070 T1082 L1109 V1167 L1169 | I1070-V1153 HydrophobicContact CD1-CG1 4.46Å; T1082-V1153 HydrophobicContact CG2-CB 3.88Å; T1082-V1153 HydrophobicContact CG2-CG1 3.69Å; L1109-V1153 HydrophobicContact CD2-CG2 4.12Å; V1153-V1167 HydrophobicContact CG1-CG1 3.83Å; V1153-V1167 HydrophobicContact CG2-CG1 4.18Å; V1153-L1169 HydrophobicContact CG2-CD2 3.96Å |
| 1154 | H | 69.3 | Low | 67.6 | Low | 83 Ų | 83 | 52.3 Ų | 52.3 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -42.3 | -177.7 | -173.8 | 28.7 | 0 | 0 | 0 | 111.7 | K1152 C1168 A1232 | K1152-H1154 PolarHBondContact O-N 2.82Å; H1154-C1168 PolarHBondContact N-O 2.84Å; H1154-A1232 PolarHBondContact CD2-O 2.85Å |
| 1155 | L | 74.2 | Confident | 68.5 | Low | 25 Ų | 25 | 47.2 Ų | 47.2 | 13% | 0.131 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 170.4 | 177.9 | -66.6 | 177.7 | 0 | 0 | 0 | 110 | C1168 A1232 V1235 | L1155-C1168 HydrophobicContact CB-CB 4.02Å; L1155-C1168 PolarHBondContact N-O 3.18Å; L1155-C1168 WeakPolarHBondContact O-CA 3.34Å; L1155-C1168 WeakPolarHBondContact O-CB 3.17Å; L1155-C1168 PolarHBondContact O-N 2.69Å; L1155-A1232 WeakPolarHBondContact CD1-O 3.5Å; L1155-V1235 HydrophobicContact CB-CG2 4.01Å; L1155-V1235 HydrophobicContact CD1-CG1 4.31Å; L1155-V1235 HydrophobicContact CD1-CG2 4.18Å |
| 1156 | A | 74.8 | Confident | 69.4 | Low | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 173 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | I1070 A1166 | I1070-A1156 HydrophobicContact CB-CB 4.33Å; I1070-A1156 HydrophobicContact CD1-CB 4.29Å; I1070-A1156 HydrophobicContact CG2-CB 3.62Å; I1070-A1156 VanDerWaalsContact CG2-N 3.3Å; I1070-A1156 WeakPolarHBondContact CG2-O 3.4Å; A1156-A1166 CarbonylContact C-O 3.54Å; A1156-A1166 WeakPolarHBondContact CA-O 3.29Å; A1156-A1166 WeakPolarHBondContact CB-O 3.49Å |
| 1157 | S | 76.5 | Confident | 70.6 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 154.6 | 173.3 | -157.6 | 0 | 0 | 0 | 0 | 109.8 | I1165 A1166 | S1157-I1165 WeakPolarHBondContact O-CA 3.39Å; S1157-A1166 PolarHBondContact N-O 2.86Å; S1157-A1166 PolarHBondContact O-N 3.4Å |
| 1158 | V | 76.2 | Confident | 71.8 | Confident | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.2 | 171.8 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | L1076 I1080 I1164 F1237 | L1076-V1158 HydrophobicContact CD1-CB 4.38Å; L1076-V1158 HydrophobicContact CD1-CG1 3.91Å; I1080-V1158 HydrophobicContact CD1-CG2 3.51Å; I1080-V1158 HydrophobicContact CG1-CG2 4.17Å; V1158-I1164 WeakPolarHBondContact CA-O 3.16Å; V1158-F1237 WeakPolarHBondContact O-CD2 3.48Å |
| 1159 | S | 75.2 | Confident | 73 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | trans | -66.5 | 160.2 | 173.6 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | L1076 D1161 G1162 N1163 I1164 | L1076-S1159 WeakPolarHBondContact CD1-O 3.34Å; S1159-D1161 WeakPolarHBondContact CB-OD1 3.47Å; S1159-D1161 PolarHBondContact O-N 2.79Å; S1159-D1161 PolarHBondContact OG-OD1 3.12Å; S1159-G1162 PolarHBondContact O-N 2.99Å; S1159-N1163 PolarHBondContact OG-N 2.88Å; S1159-I1164 PolarHBondContact N-O 2.52Å; S1159-I1164 PolarHBondContact OG-N 2.8Å; S1159-I1164 PolarHBondContact OG-O 2.91Å | ||
| 1160 | E | 68.8 | Low | 74 | Confident | 104 Ų | 104 | 34.6 Ų | 34.6 | 49% | 0.486 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29 | -173.9 | 178.6 | 158.5 | -134.2 | 0 | 0 | 113.8 | G1162 P1239 | E1160-G1162 VanDerWaalsContact C-N 3.34Å; E1160-P1239 WeakPolarHBondContact OE2-CA 3.41Å; E1160-P1239 WeakPolarHBondContact OE2-CB 3.27Å |
| 1161 | D | 67.9 | Low | 74.9 | Confident | 84 Ų | 84 | 27.6 Ų | 27.6 | 45% | 0.449 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.4 | 173.8 | 67.1 | -22.1 | 0 | 0 | 0 | 113.9 | S1159 N1163 | S1159-D1161 WeakPolarHBondContact CB-OD1 3.47Å; S1159-D1161 PolarHBondContact O-N 2.79Å; S1159-D1161 PolarHBondContact OG-OD1 3.12Å; D1161-N1163 VanDerWaalsContact C-N 3.27Å; D1161-N1163 VanDerWaalsContact CG-ND2 3.32Å; D1161-N1163 PolarHBondContact O-N 2.92Å; D1161-N1163 PolarHBondContact OD1-N 2.94Å; D1161-N1163 WeakPolarHBondContact OD2-CB 3.14Å; D1161-N1163 PolarHBondContact OD2-ND2 3.29Å |
| 1162 | G | 70 | Confident | 75.6 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 81.1 | -8.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1159 E1160 L1179 | S1159-G1162 PolarHBondContact O-N 2.99Å; E1160-G1162 VanDerWaalsContact C-N 3.34Å; G1162-L1179 VanDerWaalsContact O-CD1 3.26Å; G1162-L1179 WeakPolarHBondContact O-CD1 3.5Å |
| 1163 | N | 76.7 | Confident | 76.5 | Confident | 48 Ų | 48 | 21.3 Ų | 21.3 | 26% | 0.257 | 12% | 0.115 | S | C | . | . | trans | -85.9 | -20.6 | -166.1 | -62.5 | -41.1 | 0 | 0 | 0 | 115 | S1159 D1161 L1179 | S1159-N1163 PolarHBondContact OG-N 2.88Å; D1161-N1163 VanDerWaalsContact C-N 3.27Å; D1161-N1163 VanDerWaalsContact CG-ND2 3.32Å; D1161-N1163 PolarHBondContact O-N 2.92Å; D1161-N1163 PolarHBondContact OD1-N 2.94Å; D1161-N1163 WeakPolarHBondContact OD2-CB 3.14Å; D1161-N1163 PolarHBondContact OD2-ND2 3.29Å; N1163-L1179 WeakPolarHBondContact O-CB 3.36Å; N1163-L1179 PolarHBondContact O-N 3.09Å | ||
| 1164 | I | 77.9 | Confident | 77.5 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.015 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 126.9 | -177 | -53.8 | -178 | 0 | 0 | 0 | 110.6 | V1158 S1159 F1176 Y1177 I1185 F1237 I1255 L1270 T1273 | V1158-I1164 WeakPolarHBondContact CA-O 3.16Å; S1159-I1164 PolarHBondContact N-O 2.52Å; S1159-I1164 PolarHBondContact OG-N 2.8Å; S1159-I1164 PolarHBondContact OG-O 2.91Å; I1164-F1176 HydrophobicContact CG2-CB 4.37Å; I1164-F1176 HydrophobicContact CG2-CD1 4.28Å; I1164-Y1177 WeakPolarHBondContact CA-O 3.45Å; I1164-I1185 HydrophobicContact CD1-CD1 3.81Å; I1164-I1185 HydrophobicContact CG1-CD1 4.05Å; I1164-I1185 HydrophobicContact CG2-CD1 3.93Å; I1164-F1237 HydrophobicContact CB-CZ 4.31Å; I1164-F1237 HydrophobicContact CG2-CE1 4.34Å; I1164-F1237 HydrophobicContact CG2-CZ 3.92Å; I1164-I1255 HydrophobicContact CD1-CD1 3.76Å; I1164-L1270 HydrophobicContact CD1-CD1 4.4Å; I1164-T1273 HydrophobicContact CD1-CG2 4.21Å |
| 1165 | I | 81.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.2 | 171.7 | -58.3 | 175.6 | 0 | 0 | 0 | 108.6 | I1080 V1112 L1131 S1157 V1167 F1176 Y1177 L1179 | I1080-I1165 HydrophobicContact CD1-CB 4.49Å; I1080-I1165 HydrophobicContact CD1-CD1 4.11Å; I1080-I1165 HydrophobicContact CD1-CG1 4.16Å; I1080-I1165 HydrophobicContact CD1-CG2 3.59Å; V1112-I1165 HydrophobicContact CG1-CD1 4.33Å; V1112-I1165 HydrophobicContact CG2-CD1 3.71Å; L1131-I1165 HydrophobicContact CD1-CD1 4.27Å; L1131-I1165 HydrophobicContact CD1-CG2 4.41Å; S1157-I1165 WeakPolarHBondContact O-CA 3.39Å; I1165-V1167 HydrophobicContact CG2-CG2 3.81Å; I1165-F1176 CarbonylContact O-C 3.53Å; I1165-F1176 WeakPolarHBondContact O-CA 3.22Å; I1165-Y1177 PolarHBondContact N-O 2.95Å; I1165-Y1177 PolarHBondContact O-N 3.24Å; I1165-L1179 HydrophobicContact CD1-CD1 3.99Å; I1165-L1179 HydrophobicContact CD1-CD2 4.35Å; I1165-L1179 HydrophobicContact CD1-CG 4.3Å; I1165-L1179 HydrophobicContact CG1-CD1 4.11Å |
| 1166 | A | 82.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | A1156 S1157 W1175 F1176 F1237 F1257 | A1156-A1166 CarbonylContact C-O 3.54Å; A1156-A1166 WeakPolarHBondContact CA-O 3.29Å; A1156-A1166 WeakPolarHBondContact CB-O 3.49Å; S1157-A1166 PolarHBondContact N-O 2.86Å; S1157-A1166 PolarHBondContact O-N 3.4Å; A1166-W1175 CarbonylContact C-O 3.58Å; A1166-W1175 WeakPolarHBondContact CA-O 3.38Å; A1166-F1176 HydrophobicContact CB-CD1 3.74Å; A1166-F1176 HydrophobicContact CB-CE1 3.54Å; A1166-F1176 HydrophobicContact CB-CZ 4.29Å; A1166-F1237 HydrophobicContact CB-CE2 3.74Å; A1166-F1237 HydrophobicContact CB-CZ 3.82Å; A1166-F1257 HydrophobicContact CB-CD2 4.12Å; A1166-F1257 HydrophobicContact CB-CE2 3.48Å; A1166-F1257 VanDerWaalsContact CB-CE2 3.48Å; A1166-F1257 HydrophobicContact CB-CZ 3.95Å |
| 1167 | V | 84.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.8 | 176.8 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | L1109 L1131 V1153 I1165 I1174 W1175 | L1109-V1167 HydrophobicContact CD2-CG1 4.23Å; L1131-V1167 HydrophobicContact CD1-CG2 4.39Å; V1153-V1167 HydrophobicContact CG1-CG1 3.83Å; V1153-V1167 HydrophobicContact CG2-CG1 4.18Å; I1165-V1167 HydrophobicContact CG2-CG2 3.81Å; V1167-I1174 WeakPolarHBondContact O-CA 3.26Å; V1167-W1175 PolarHBondContact N-O 3.21Å; V1167-W1175 PolarHBondContact O-N 2.88Å |
| 1168 | C | 83.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.7 | -178.4 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | H1154 L1155 I1174 | H1154-C1168 PolarHBondContact N-O 2.84Å; L1155-C1168 HydrophobicContact CB-CB 4.02Å; L1155-C1168 PolarHBondContact N-O 3.18Å; L1155-C1168 WeakPolarHBondContact O-CA 3.34Å; L1155-C1168 WeakPolarHBondContact O-CB 3.17Å; L1155-C1168 PolarHBondContact O-N 2.69Å; C1168-I1174 HydrophobicContact CB-CG1 4.33Å |
| 1169 | L | 82.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 154.2 | 178.5 | -63.3 | 175.5 | 0 | 0 | 0 | 111.1 | L1109 Y1142 K1152 V1153 D1171 G1172 F1173 | L1109-L1169 HydrophobicContact CD2-CD2 4.35Å; Y1142-L1169 WeakPolarHBondContact OH-CD1 3.31Å; K1152-L1169 CarbonylContact O-C 3.53Å; K1152-L1169 WeakPolarHBondContact O-CA 3.29Å; V1153-L1169 HydrophobicContact CG2-CD2 3.96Å; L1169-D1171 WeakPolarHBondContact CB-OD1 3.47Å; L1169-D1171 PolarHBondContact O-N 3.33Å; L1169-G1172 PolarHBondContact O-N 3.37Å; L1169-G1172 VanDerWaalsContact O-N 3.11Å; L1169-F1173 PolarHBondContact N-O 3.21Å |
| 1170 | S | 76.5 | Confident | 79.3 | Confident | 50 Ų | 50 | 22.2 Ų | 22.2 | 35% | 0.35 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -6.9 | -179 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | N1150 K1152 | N1150-S1170 PolarHBondContact O-OG 3.15Å; K1152-S1170 PolarHBondContact N-OG 2.99Å; K1152-S1170 PolarHBondContact O-N 3.38Å; K1152-S1170 PolarHBondContact O-OG 3.47Å |
| 1171 | D | 77.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.6 | 172.1 | 56.2 | 21.7 | 0 | 0 | 0 | 113.2 | L1145 S1151 L1169 F1173 V1228 G1229 | L1145-D1171 HydrophobicContact CD2-CB 4.17Å; S1151-D1171 WeakPolarHBondContact CB-OD2 3.42Å; L1169-D1171 WeakPolarHBondContact CB-OD1 3.47Å; L1169-D1171 PolarHBondContact O-N 3.33Å; D1171-F1173 HydrophobicContact CB-CD2 4.41Å; D1171-F1173 WeakPolarHBondContact OD1-CD2 3.17Å; D1171-F1173 PolarHBondContact OD1-N 2.96Å; D1171-V1228 WeakPolarHBondContact O-CA 3.48Å; D1171-G1229 PolarHBondContact O-N 3.06Å |
| 1172 | G | 78.3 | Confident | 79.7 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 89.1 | 13.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1169 T1190 | L1169-G1172 PolarHBondContact O-N 3.37Å; L1169-G1172 VanDerWaalsContact O-N 3.11Å; G1172-T1190 VanDerWaalsContact CA-OG1 3.25Å; G1172-T1190 WeakPolarHBondContact CA-OG1 3.19Å; G1172-T1190 WeakPolarHBondContact O-CB 3.41Å; G1172-T1190 VanDerWaalsContact O-CG2 3.25Å; G1172-T1190 WeakPolarHBondContact O-CG2 3.35Å; G1172-T1190 PolarHBondContact O-N 2.84Å; G1172-T1190 PolarHBondContact O-OG1 3.24Å |
| 1173 | F | 85.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139.1 | 168.8 | -73.6 | -88.6 | 0 | 0 | 0 | 112.5 | W1141 Y1142 L1145 L1169 D1171 V1226 | W1141-F1173 AromaticContact CH2-CE1 3.87Å; W1141-F1173 HydrophobicContact CH2-CE1 3.87Å; W1141-F1173 AromaticContact CH2-CZ 3.73Å; W1141-F1173 HydrophobicContact CH2-CZ 3.73Å; W1141-F1173 HydrophobicContact CZ3-CE1 4.27Å; W1141-F1173 HydrophobicContact CZ3-CE2 4.5Å; W1141-F1173 AromaticContact CZ3-CZ 3.68Å; W1141-F1173 HydrophobicContact CZ3-CZ 3.68Å; Y1142-F1173 HydrophobicContact CD2-CE1 4.38Å; Y1142-F1173 HydrophobicContact CD2-CE2 4.42Å; Y1142-F1173 HydrophobicContact CD2-CZ 4.28Å; Y1142-F1173 HydrophobicContact CE2-CB 4.44Å; Y1142-F1173 HydrophobicContact CE2-CD1 4.1Å; Y1142-F1173 AromaticContact CE2-CD2 3.94Å; Y1142-F1173 HydrophobicContact CE2-CD2 3.94Å; Y1142-F1173 HydrophobicContact CE2-CE1 4.32Å; Y1142-F1173 HydrophobicContact CE2-CE2 4.18Å; Y1142-F1173 AromaticContact CE2-CG 3.89Å; Y1142-F1173 HydrophobicContact CE2-CG 3.89Å; Y1142-F1173 HydrophobicContact CE2-CZ 4.35Å; L1145-F1173 HydrophobicContact CD1-CE2 4.2Å; L1145-F1173 HydrophobicContact CD2-CD2 4.46Å; L1145-F1173 HydrophobicContact CD2-CE2 3.85Å; L1169-F1173 PolarHBondContact N-O 3.21Å; D1171-F1173 HydrophobicContact CB-CD2 4.41Å; D1171-F1173 WeakPolarHBondContact OD1-CD2 3.17Å; D1171-F1173 PolarHBondContact OD1-N 2.96Å; F1173-V1226 HydrophobicContact CE1-CG1 3.98Å; F1173-V1226 HydrophobicContact CZ-CG1 3.61Å |
| 1174 | I | 86.8 | Confident | 80 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116.8 | 174.8 | -51.7 | -179.7 | 0 | 0 | 0 | 108.7 | V1167 C1168 F1176 C1187 I1188 T1190 F1257 A1259 | V1167-I1174 WeakPolarHBondContact O-CA 3.26Å; C1168-I1174 HydrophobicContact CB-CG1 4.33Å; I1174-F1176 HydrophobicContact CB-CE2 4.41Å; I1174-F1176 HydrophobicContact CG2-CE2 3.73Å; I1174-F1176 HydrophobicContact CG2-CZ 3.74Å; I1174-C1187 CarbonylContact O-C 3.2Å; I1174-C1187 WeakPolarHBondContact O-CA 3.48Å; I1174-I1188 HydrophobicContact CB-CB 4.31Å; I1174-I1188 PolarHBondContact N-O 3.08Å; I1174-I1188 PolarHBondContact O-N 2.96Å; I1174-T1190 HydrophobicContact CD1-CG2 4.12Å; I1174-T1190 HydrophobicContact CG1-CG2 4.36Å; I1174-F1257 HydrophobicContact CD1-CE1 4.06Å; I1174-F1257 HydrophobicContact CG2-CE1 4.02Å; I1174-F1257 HydrophobicContact CG2-CZ 4.07Å; I1174-A1259 HydrophobicContact CD1-CB 4.35Å |
| 1175 | W | 86.8 | Confident | 80 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.5 | -176.4 | -74.8 | 89.2 | 0 | 0 | 0 | 111.3 | L1133 P1134 Y1142 A1166 V1167 W1184 C1187 I1282 L1283 | L1133-W1175 HydrophobicContact CD2-CD2 4.3Å; L1133-W1175 HydrophobicContact CD2-CG 4.43Å; P1134-W1175 HydrophobicContact CG-CH2 3.8Å; P1134-W1175 HydrophobicContact CG-CZ3 3.76Å; Y1142-W1175 HydrophobicContact CD1-CZ2 4.41Å; Y1142-W1175 AromaticContact CE1-CZ2 3.92Å; Y1142-W1175 HydrophobicContact CE1-CZ2 3.92Å; Y1142-W1175 HydrophobicContact CE2-CZ2 4.02Å; Y1142-W1175 AromaticContact CE2-NE1 3.97Å; Y1142-W1175 AromaticContact CZ-CE2 3.94Å; Y1142-W1175 AromaticContact CZ-CZ2 3.71Å; Y1142-W1175 AromaticContact CZ-NE1 3.57Å; Y1142-W1175 PolarHBondContact OH-NE1 3.34Å; A1166-W1175 CarbonylContact C-O 3.58Å; A1166-W1175 WeakPolarHBondContact CA-O 3.38Å; V1167-W1175 PolarHBondContact N-O 3.21Å; V1167-W1175 PolarHBondContact O-N 2.88Å; W1175-W1184 HydrophobicContact CB-CE3 3.84Å; W1175-W1184 HydrophobicContact CB-CH2 4.34Å; W1175-W1184 HydrophobicContact CB-CZ3 3.48Å; W1175-W1184 VanDerWaalsContact CB-CZ3 3.48Å; W1175-W1184 HydrophobicContact CE3-CD2 4.17Å; W1175-W1184 AromaticContact CE3-CE3 3.96Å; W1175-W1184 HydrophobicContact CE3-CE3 3.96Å; W1175-W1184 HydrophobicContact CE3-CG 4.46Å; W1175-W1184 HydrophobicContact CG-CZ3 4.38Å; W1175-C1187 HydrophobicContact CD2-CB 4.2Å; W1175-C1187 HydrophobicContact CE3-CB 4.08Å; W1175-C1187 HydrophobicContact CZ3-CB 4.23Å; W1175-I1282 HydrophobicContact CZ3-CG2 4.14Å; W1175-L1283 HydrophobicContact CH2-CD1 3.85Å; W1175-L1283 HydrophobicContact CH2-CD2 4.18Å; W1175-L1283 HydrophobicContact CH2-CG 4.02Å; W1175-L1283 HydrophobicContact CZ2-CD1 4.2Å; W1175-L1283 HydrophobicContact CZ2-CD2 4.28Å |
| 1176 | F | 87.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.8 | 179.9 | -62.3 | -94.8 | 0 | 0 | 0 | 111.2 | I1164 I1165 A1166 I1174 W1184 I1185 S1186 I1188 F1237 F1257 L1270 | I1164-F1176 HydrophobicContact CG2-CB 4.37Å; I1164-F1176 HydrophobicContact CG2-CD1 4.28Å; I1165-F1176 CarbonylContact O-C 3.53Å; I1165-F1176 WeakPolarHBondContact O-CA 3.22Å; A1166-F1176 HydrophobicContact CB-CD1 3.74Å; A1166-F1176 HydrophobicContact CB-CE1 3.54Å; A1166-F1176 HydrophobicContact CB-CZ 4.29Å; I1174-F1176 HydrophobicContact CB-CE2 4.41Å; I1174-F1176 HydrophobicContact CG2-CE2 3.73Å; I1174-F1176 HydrophobicContact CG2-CZ 3.74Å; F1176-W1184 CarbonylContact O-C 3.57Å; F1176-W1184 WeakPolarHBondContact O-CA 3.13Å; F1176-I1185 HydrophobicContact CB-CB 4.43Å; F1176-I1185 HydrophobicContact CB-CD1 4.5Å; F1176-I1185 PolarHBondContact O-N 3.19Å; F1176-S1186 WeakPolarHBondContact CD2-OG 3.49Å; F1176-S1186 PolarHBondContact N-O 3.32Å; F1176-I1188 HydrophobicContact CE2-CD1 3.62Å; F1176-I1188 HydrophobicContact CE2-CG1 3.97Å; F1176-I1188 HydrophobicContact CZ-CD1 4.04Å; F1176-F1237 HydrophobicContact CD1-CE1 4.47Å; F1176-F1237 HydrophobicContact CD1-CZ 4.08Å; F1176-F1237 HydrophobicContact CE1-CE1 4.32Å; F1176-F1237 HydrophobicContact CE1-CZ 4.07Å; F1176-F1257 HydrophobicContact CE1-CB 4.15Å; F1176-F1257 HydrophobicContact CE1-CD1 4.07Å; F1176-F1257 AromaticContact CE1-CD2 3.83Å; F1176-F1257 HydrophobicContact CE1-CD2 3.83Å; F1176-F1257 HydrophobicContact CE1-CE1 4.4Å; F1176-F1257 HydrophobicContact CE1-CE2 4.18Å; F1176-F1257 AromaticContact CE1-CG 3.74Å; F1176-F1257 HydrophobicContact CE1-CG 3.74Å; F1176-F1257 HydrophobicContact CE1-CZ 4.44Å; F1176-F1257 HydrophobicContact CZ-CB 4.35Å; F1176-F1257 AromaticContact CZ-CD1 3.67Å; F1176-F1257 HydrophobicContact CZ-CD1 3.67Å; F1176-F1257 HydrophobicContact CZ-CD2 4.27Å; F1176-F1257 AromaticContact CZ-CE1 3.92Å; F1176-F1257 HydrophobicContact CZ-CE1 3.92Å; F1176-F1257 HydrophobicContact CZ-CE2 4.49Å; F1176-F1257 AromaticContact CZ-CG 3.84Å; F1176-F1257 HydrophobicContact CZ-CG 3.84Å; F1176-F1257 HydrophobicContact CZ-CZ 4.31Å; F1176-L1270 HydrophobicContact CD1-CD1 3.74Å; F1176-L1270 HydrophobicContact CD1-CD2 3.88Å; F1176-L1270 HydrophobicContact CD1-CG 4.44Å; F1176-L1270 HydrophobicContact CD2-CD2 4Å; F1176-L1270 HydrophobicContact CE1-CD1 4Å; F1176-L1270 HydrophobicContact CE1-CD2 3.92Å; F1176-L1270 HydrophobicContact CE1-CG 4.45Å; F1176-L1270 HydrophobicContact CE2-CD2 4.07Å; F1176-L1270 HydrophobicContact CG-CD1 4.38Å; F1176-L1270 HydrophobicContact CG-CD2 3.92Å; F1176-L1270 HydrophobicContact CZ-CD2 4.02Å |
| 1177 | Y | 82.5 | Confident | 80 | Confident | 23 Ų | 23 | 20.9 Ų | 20.9 | 9% | 0.09 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.5 | -178.4 | -175.8 | -94.3 | 0 | 0 | 0 | 111.2 | L1131 I1164 I1165 L1179 I1182 C1183 W1184 | L1131-Y1177 HydrophobicContact CD2-CD1 3.62Å; L1131-Y1177 HydrophobicContact CD2-CD2 4.17Å; L1131-Y1177 HydrophobicContact CD2-CE1 3.64Å; L1131-Y1177 HydrophobicContact CD2-CE2 4.2Å; L1131-Y1177 HydrophobicContact CD2-CG 3.89Å; I1164-Y1177 WeakPolarHBondContact CA-O 3.45Å; I1165-Y1177 PolarHBondContact N-O 2.95Å; I1165-Y1177 PolarHBondContact O-N 3.24Å; Y1177-L1179 HydrophobicContact CD1-CD2 4.45Å; Y1177-L1179 HydrophobicContact CD1-CG 4.5Å; Y1177-L1179 HydrophobicContact CE1-CD2 4.09Å; Y1177-L1179 HydrophobicContact CE1-CG 4.49Å; Y1177-I1182 VanDerWaalsContact OH-CG2 3.27Å; Y1177-I1182 WeakPolarHBondContact OH-CG2 3.46Å; Y1177-C1183 WeakPolarHBondContact CD2-O 3.22Å; Y1177-W1184 AromaticContact CD2-CD2 3.82Å; Y1177-W1184 HydrophobicContact CD2-CD2 3.82Å; Y1177-W1184 AromaticContact CD2-CE2 3.83Å; Y1177-W1184 HydrophobicContact CD2-CE3 4.16Å; Y1177-W1184 HydrophobicContact CD2-CG 4.14Å; Y1177-W1184 HydrophobicContact CD2-CZ2 4.2Å; Y1177-W1184 HydrophobicContact CD2-CZ3 4.48Å; Y1177-W1184 HydrophobicContact CG-CE3 4.47Å |
| 1178 | N | 80.4 | Confident | 80.1 | 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 | -97.5 | 125.1 | 177.3 | -166.1 | -51 | 0 | 0 | 0 | 111 | D1180 I1181 I1182 C1183 I1185 | N1178-D1180 WeakPolarHBondContact OD1-CA 3.47Å; N1178-D1180 WeakPolarHBondContact OD1-CB 3.39Å; N1178-D1180 PolarHBondContact OD1-N 3.15Å; N1178-I1181 HydrophobicContact CB-CB 4.2Å; N1178-I1181 PolarHBondContact OD1-N 2.92Å; N1178-I1182 VanDerWaalsContact O-CA 3.28Å; N1178-I1182 WeakPolarHBondContact O-CA 3.41Å; N1178-I1182 PolarHBondContact O-N 3.15Å; N1178-C1183 PolarHBondContact N-O 3.25Å; N1178-C1183 PolarHBondContact O-N 2.76Å; N1178-I1185 HydrophobicContact CB-CD1 3.77Å; N1178-I1185 HydrophobicContact CB-CG1 3.73Å |
| 1179 | L | 76 | Confident | 80.2 | Confident | 19 Ų | 19 | 20.8 Ų | 20.8 | 10% | 0.099 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -31.3 | 178.3 | -75.6 | 163.8 | 0 | 0 | 0 | 113.5 | L1078 R1129 G1162 N1163 I1165 Y1177 | L1078-L1179 HydrophobicContact CD1-CD1 4Å; R1129-L1179 VanDerWaalsContact CZ-O 3.25Å; R1129-L1179 PolarHBondContact NH1-O 3.06Å; R1129-L1179 PolarHBondContact NH2-O 3.33Å; G1162-L1179 VanDerWaalsContact O-CD1 3.26Å; G1162-L1179 WeakPolarHBondContact O-CD1 3.5Å; N1163-L1179 WeakPolarHBondContact O-CB 3.36Å; N1163-L1179 PolarHBondContact O-N 3.09Å; I1165-L1179 HydrophobicContact CD1-CD1 3.99Å; I1165-L1179 HydrophobicContact CD1-CD2 4.35Å; I1165-L1179 HydrophobicContact CD1-CG 4.3Å; I1165-L1179 HydrophobicContact CG1-CD1 4.11Å; Y1177-L1179 HydrophobicContact CD1-CD2 4.45Å; Y1177-L1179 HydrophobicContact CD1-CG 4.5Å; Y1177-L1179 HydrophobicContact CE1-CD2 4.09Å; Y1177-L1179 HydrophobicContact CE1-CG 4.49Å |
| 1180 | D | 73.1 | Confident | 80.3 | Confident | 112 Ų | 112 | 20.7 Ų | 20.7 | 60% | 0.599 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -51.9 | 174.9 | -72.5 | -37.9 | 0 | 0 | 0 | 111.7 | N1178 I1182 | N1178-D1180 WeakPolarHBondContact OD1-CA 3.47Å; N1178-D1180 WeakPolarHBondContact OD1-CB 3.39Å; N1178-D1180 PolarHBondContact OD1-N 3.15Å; D1180-I1182 VanDerWaalsContact C-N 3.3Å |
| 1181 | I | 71 | Confident | 80.6 | Confident | 65 Ų | 65 | 20.7 Ų | 20.7 | 33% | 0.333 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.6 | -175.9 | -49.8 | 178 | 0 | 0 | 0 | 111.2 | N1178 C1183 T1273 | N1178-I1181 HydrophobicContact CB-CB 4.2Å; N1178-I1181 PolarHBondContact OD1-N 2.92Å; I1181-C1183 VanDerWaalsContact C-N 3.33Å; I1181-C1183 HydrophobicContact CG2-CB 4.49Å; I1181-C1183 VanDerWaalsContact CG2-SG 3.59Å; I1181-C1183 PolarHBondContact O-N 3.11Å; I1181-T1273 WeakPolarHBondContact CD1-O 3.47Å |
| 1182 | I | 72.5 | Confident | 80.9 | Confident | 103 Ų | 103 | 20.9 Ų | 20.9 | 53% | 0.528 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 37.9 | 177.9 | -36.8 | -170.4 | 0 | 0 | 0 | 111.7 | Y1177 N1178 D1180 | Y1177-I1182 VanDerWaalsContact OH-CG2 3.27Å; Y1177-I1182 WeakPolarHBondContact OH-CG2 3.46Å; N1178-I1182 VanDerWaalsContact O-CA 3.28Å; N1178-I1182 WeakPolarHBondContact O-CA 3.41Å; N1178-I1182 PolarHBondContact O-N 3.15Å; D1180-I1182 VanDerWaalsContact C-N 3.3Å |
| 1183 | C | 74.2 | Confident | 81 | Confident | 26 Ų | 26 | 20.8 Ų | 20.8 | 18% | 0.176 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 160 | -176.5 | 76.3 | 0 | 0 | 0 | 0 | 112.9 | Y1177 N1178 I1181 | Y1177-C1183 WeakPolarHBondContact CD2-O 3.22Å; N1178-C1183 PolarHBondContact N-O 3.25Å; N1178-C1183 PolarHBondContact O-N 2.76Å; I1181-C1183 VanDerWaalsContact C-N 3.33Å; I1181-C1183 HydrophobicContact CG2-CB 4.49Å; I1181-C1183 VanDerWaalsContact CG2-SG 3.59Å; I1181-C1183 PolarHBondContact O-N 3.11Å |
| 1184 | W | 79.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.4 | 162.6 | -62.5 | 97.4 | 0 | 0 | 0 | 109.7 | L1109 R1132 L1133 W1175 F1176 Y1177 I1282 | L1109-W1184 HydrophobicContact CD1-CH2 3.77Å; L1109-W1184 HydrophobicContact CD1-CZ2 3.59Å; R1132-W1184 WeakPolarHBondContact O-CZ2 3.49Å; R1132-W1184 PolarHBondContact O-NE1 3.04Å; L1133-W1184 HydrophobicContact CD2-CZ2 4.48Å; W1175-W1184 HydrophobicContact CB-CE3 3.84Å; W1175-W1184 HydrophobicContact CB-CH2 4.34Å; W1175-W1184 HydrophobicContact CB-CZ3 3.48Å; W1175-W1184 VanDerWaalsContact CB-CZ3 3.48Å; W1175-W1184 HydrophobicContact CE3-CD2 4.17Å; W1175-W1184 AromaticContact CE3-CE3 3.96Å; W1175-W1184 HydrophobicContact CE3-CE3 3.96Å; W1175-W1184 HydrophobicContact CE3-CG 4.46Å; W1175-W1184 HydrophobicContact CG-CZ3 4.38Å; F1176-W1184 CarbonylContact O-C 3.57Å; F1176-W1184 WeakPolarHBondContact O-CA 3.13Å; Y1177-W1184 AromaticContact CD2-CD2 3.82Å; Y1177-W1184 HydrophobicContact CD2-CD2 3.82Å; Y1177-W1184 AromaticContact CD2-CE2 3.83Å; Y1177-W1184 HydrophobicContact CD2-CE3 4.16Å; Y1177-W1184 HydrophobicContact CD2-CG 4.14Å; Y1177-W1184 HydrophobicContact CD2-CZ2 4.2Å; Y1177-W1184 HydrophobicContact CD2-CZ3 4.48Å; Y1177-W1184 HydrophobicContact CG-CE3 4.47Å; W1184-I1282 HydrophobicContact CB-CD1 3.76Å; W1184-I1282 VanDerWaalsContact O-CD1 3.28Å; W1184-I1282 WeakPolarHBondContact O-CD1 3.33Å |
| 1185 | I | 78 | Confident | 80.3 | Confident | 17 Ų | 17 | 24.9 Ų | 24.9 | 9% | 0.087 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -51.6 | -177.5 | -44.7 | 172.3 | 0 | 0 | 0 | 110.4 | I1164 F1176 N1178 T1273 | I1164-I1185 HydrophobicContact CD1-CD1 3.81Å; I1164-I1185 HydrophobicContact CG1-CD1 4.05Å; I1164-I1185 HydrophobicContact CG2-CD1 3.93Å; F1176-I1185 HydrophobicContact CB-CB 4.43Å; F1176-I1185 HydrophobicContact CB-CD1 4.5Å; F1176-I1185 PolarHBondContact O-N 3.19Å; N1178-I1185 HydrophobicContact CB-CD1 3.77Å; N1178-I1185 HydrophobicContact CB-CG1 3.73Å; I1185-T1273 HydrophobicContact CD1-CG2 4.5Å |
| 1186 | S | 79.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 162.7 | -170 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | F1176 | F1176-S1186 WeakPolarHBondContact CD2-OG 3.49Å; F1176-S1186 PolarHBondContact N-O 3.32Å |
| 1187 | C | 83.8 | Confident | 79 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.1 | 175.5 | -178 | 0 | 0 | 0 | 0 | 108.7 | I1174 W1175 I1282 L1283 L1288 N1291 | I1174-C1187 CarbonylContact O-C 3.2Å; I1174-C1187 WeakPolarHBondContact O-CA 3.48Å; W1175-C1187 HydrophobicContact CD2-CB 4.2Å; W1175-C1187 HydrophobicContact CE3-CB 4.08Å; W1175-C1187 HydrophobicContact CZ3-CB 4.23Å; C1187-I1282 HydrophobicContact CB-CG2 3.81Å; C1187-L1283 HydrophobicContact CB-CD2 4.32Å; C1187-L1288 HydrophobicContact CB-CD1 4.21Å; C1187-N1291 WeakPolarHBondContact O-CB 3.17Å |
| 1188 | I | 86 | Confident | 78.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.1 | 179 | -67.4 | -179.9 | 0 | 0 | 0 | 108.6 | I1174 F1176 W1268 N1291 | I1174-I1188 HydrophobicContact CB-CB 4.31Å; I1174-I1188 PolarHBondContact N-O 3.08Å; I1174-I1188 PolarHBondContact O-N 2.96Å; F1176-I1188 HydrophobicContact CE2-CD1 3.62Å; F1176-I1188 HydrophobicContact CE2-CG1 3.97Å; F1176-I1188 HydrophobicContact CZ-CD1 4.04Å; I1188-W1268 HydrophobicContact CD1-CB 3.98Å; I1188-W1268 HydrophobicContact CD1-CD2 4.03Å; I1188-W1268 HydrophobicContact CD1-CG 3.67Å; I1188-W1268 HydrophobicContact CG2-CZ2 4.03Å; I1188-N1291 HydrophobicContact CG1-CB 4.47Å |
| 1189 | S | 87.1 | Confident | 78 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.4 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | K1191 L1192 S1193 S1292 | S1189-K1191 PolarHBondContact O-N 3.49Å; S1189-L1192 PolarHBondContact O-N 2.87Å; S1189-S1193 PolarHBondContact O-N 2.77Å; S1189-S1193 VanDerWaalsContact O-N 3.1Å; S1189-S1193 PolarHBondContact O-OG 2.95Å; S1189-S1193 VanDerWaalsContact O-OG 3.12Å; S1189-S1292 PolarHBondContact N-OG 3.01Å |
| 1190 | T | 83.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -30.6 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | G1172 I1174 S1193 I1194 G1229 P1230 L1261 | G1172-T1190 VanDerWaalsContact CA-OG1 3.25Å; G1172-T1190 WeakPolarHBondContact CA-OG1 3.19Å; G1172-T1190 WeakPolarHBondContact O-CB 3.41Å; G1172-T1190 VanDerWaalsContact O-CG2 3.25Å; G1172-T1190 WeakPolarHBondContact O-CG2 3.35Å; G1172-T1190 PolarHBondContact O-N 2.84Å; G1172-T1190 PolarHBondContact O-OG1 3.24Å; I1174-T1190 HydrophobicContact CD1-CG2 4.12Å; I1174-T1190 HydrophobicContact CG1-CG2 4.36Å; T1190-S1193 PolarHBondContact O-N 2.81Å; T1190-I1194 WeakPolarHBondContact O-CG1 3.47Å; T1190-I1194 PolarHBondContact O-N 2.76Å; T1190-I1194 VanDerWaalsContact O-N 3.09Å; T1190-G1229 WeakPolarHBondContact OG1-CA 3.48Å; T1190-P1230 PolarHBondContact OG1-O 2.92Å; T1190-L1261 HydrophobicContact CG2-CD1 3.9Å; T1190-L1261 HydrophobicContact CG2-CD2 3.53Å; T1190-L1261 HydrophobicContact CG2-CG 4.39Å |
| 1191 | K | 83.1 | Confident | 76.7 | Confident | 49 Ų | 49 | 32.6 Ų | 32.6 | 21% | 0.213 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.2 | -55.1 | 171.4 | -173.6 | -169.8 | 173.3 | -168.1 | 0 | 110.4 | S1189 S1193 I1194 D1195 E1225 | S1189-K1191 PolarHBondContact O-N 3.49Å; K1191-S1193 VanDerWaalsContact C-N 3.28Å; K1191-S1193 PolarHBondContact O-N 3.02Å; K1191-I1194 PolarHBondContact O-N 2.82Å; K1191-I1194 VanDerWaalsContact O-N 3.1Å; K1191-D1195 PolarHBondContact O-N 3.03Å; K1191-E1225 PolarHBondContact NZ-O 3.01Å; K1191-E1225 IonicContact NZ-OE2 3.58Å |
| 1192 | L | 83.1 | Confident | 76.1 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | -179.7 | -58.8 | -175.7 | 0 | 0 | 0 | 112.5 | S1189 D1195 F1196 V1224 V1226 L1288 | S1189-L1192 PolarHBondContact O-N 2.87Å; L1192-D1195 PolarHBondContact O-N 3.34Å; L1192-F1196 WeakPolarHBondContact O-CB 3.49Å; L1192-F1196 PolarHBondContact O-N 3.49Å; L1192-V1224 HydrophobicContact CD1-CG1 4.14Å; L1192-V1224 HydrophobicContact CD2-CG1 3.39Å; L1192-V1224 HydrophobicContact CG-CG1 4.43Å; L1192-V1226 HydrophobicContact CD1-CG2 4.46Å; L1192-L1288 HydrophobicContact CD1-CD2 4.46Å; L1192-L1288 HydrophobicContact CD1-CG 4.2Å |
| 1193 | S | 81.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | S1189 T1190 K1191 V1197 W1268 S1292 | S1189-S1193 PolarHBondContact O-N 2.77Å; S1189-S1193 VanDerWaalsContact O-N 3.1Å; S1189-S1193 PolarHBondContact O-OG 2.95Å; S1189-S1193 VanDerWaalsContact O-OG 3.12Å; T1190-S1193 PolarHBondContact O-N 2.81Å; K1191-S1193 VanDerWaalsContact C-N 3.28Å; K1191-S1193 PolarHBondContact O-N 3.02Å; S1193-V1197 VanDerWaalsContact O-CG2 3.31Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.1Å; S1193-V1197 PolarHBondContact O-N 3.26Å; S1193-W1268 WeakPolarHBondContact OG-CZ2 3.36Å; S1193-W1268 PolarHBondContact OG-NE1 2.79Å; S1193-S1292 WeakPolarHBondContact CB-O 3.4Å; S1193-S1292 PolarHBondContact OG-O 3Å |
| 1194 | I | 78.2 | Confident | 73.3 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.6 | -39.2 | 177.4 | -69.9 | 170 | 0 | 0 | 0 | 111.3 | T1190 K1191 F1196 V1197 T1198 P1230 L1261 | T1190-I1194 WeakPolarHBondContact O-CG1 3.47Å; T1190-I1194 PolarHBondContact O-N 2.76Å; T1190-I1194 VanDerWaalsContact O-N 3.09Å; K1191-I1194 PolarHBondContact O-N 2.82Å; K1191-I1194 VanDerWaalsContact O-N 3.1Å; I1194-F1196 VanDerWaalsContact C-N 3.27Å; I1194-F1196 PolarHBondContact O-N 3.41Å; I1194-V1197 PolarHBondContact O-N 3.27Å; I1194-T1198 HydrophobicContact CG2-CG2 4.12Å; I1194-T1198 WeakPolarHBondContact O-CB 3.25Å; I1194-T1198 WeakPolarHBondContact O-CG2 3.37Å; I1194-T1198 PolarHBondContact O-N 2.96Å; I1194-T1198 PolarHBondContact O-OG1 2.81Å; I1194-P1230 HydrophobicContact CD1-CG 3.29Å; I1194-L1261 HydrophobicContact CD1-CB 4.15Å; I1194-L1261 HydrophobicContact CD1-CD1 3.92Å; I1194-L1261 HydrophobicContact CG1-CD1 3.99Å |
| 1195 | D | 78.9 | Confident | 71.1 | Confident | 55 Ų | 55 | 51 Ų | 51 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.7 | -36.9 | 174.5 | -70.3 | -19.7 | 0 | 0 | 0 | 111.1 | K1191 L1192 T1198 K1199 F1219 | K1191-D1195 PolarHBondContact O-N 3.03Å; L1192-D1195 PolarHBondContact O-N 3.34Å; D1195-T1198 WeakPolarHBondContact CA-OG1 3.31Å; D1195-T1198 PolarHBondContact O-OG1 3.01Å; D1195-K1199 VanDerWaalsContact O-CB 3.3Å; D1195-K1199 WeakPolarHBondContact O-CB 3.49Å; D1195-K1199 WeakPolarHBondContact O-CD 3.43Å; D1195-K1199 WeakPolarHBondContact O-CG 3.46Å; D1195-K1199 PolarHBondContact O-N 3.06Å; D1195-K1199 VanDerWaalsContact O-N 3.15Å; D1195-F1219 HydrophobicContact CB-CZ 4.38Å |
| 1196 | F | 74.6 | Confident | 68.9 | Low | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -49.2 | 170.4 | 176.6 | -100.8 | 0 | 0 | 0 | 112.6 | L1192 I1194 T1198 K1199 F1200 L1218 F1219 F1293 P1294 | L1192-F1196 WeakPolarHBondContact O-CB 3.49Å; L1192-F1196 PolarHBondContact O-N 3.49Å; I1194-F1196 VanDerWaalsContact C-N 3.27Å; I1194-F1196 PolarHBondContact O-N 3.41Å; F1196-T1198 PolarHBondContact O-N 3.03Å; F1196-K1199 PolarHBondContact O-N 2.82Å; F1196-F1200 HydrophobicContact CZ-CD2 4.28Å; F1196-F1200 VanDerWaalsContact O-CB 3.32Å; F1196-F1200 WeakPolarHBondContact O-CB 3.27Å; F1196-F1200 PolarHBondContact O-N 3.37Å; F1196-L1218 HydrophobicContact CD2-CD1 4.4Å; F1196-L1218 HydrophobicContact CE2-CD1 3.77Å; F1196-F1219 HydrophobicContact CB-CE2 4.21Å; F1196-F1219 HydrophobicContact CD2-CE2 4.21Å; F1196-F1293 HydrophobicContact CB-CD1 4.16Å; F1196-F1293 HydrophobicContact CB-CE1 4.39Å; F1196-F1293 HydrophobicContact CD1-CD1 4.13Å; F1196-F1293 AromaticContact CD2-CD1 3.47Å; F1196-F1293 HydrophobicContact CD2-CD1 3.47Å; F1196-F1293 VanDerWaalsContact CD2-CD1 3.47Å; F1196-F1293 AromaticContact CD2-CE1 3.48Å; F1196-F1293 HydrophobicContact CD2-CE1 3.48Å; F1196-F1293 VanDerWaalsContact CD2-CE1 3.48Å; F1196-F1293 HydrophobicContact CE1-CD1 4.4Å; F1196-F1293 AromaticContact CE2-CD1 3.78Å; F1196-F1293 HydrophobicContact CE2-CD1 3.78Å; F1196-F1293 AromaticContact CE2-CE1 3.9Å; F1196-F1293 HydrophobicContact CE2-CE1 3.9Å; F1196-F1293 AromaticContact CG-CD1 3.65Å; F1196-F1293 HydrophobicContact CG-CD1 3.65Å; F1196-F1293 HydrophobicContact CG-CE1 4.03Å; F1196-F1293 HydrophobicContact CZ-CD1 4.24Å; F1196-P1294 HydrophobicContact CD1-CG 4.11Å; F1196-P1294 HydrophobicContact CE1-CG 4.48Å |
| 1197 | V | 72.4 | Confident | 66.7 | Low | 7 Ų | 7 | 60.2 Ų | 60.2 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | -178.1 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | S1193 I1194 F1200 L1201 L1266 P1294 | S1193-V1197 VanDerWaalsContact O-CG2 3.31Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.1Å; S1193-V1197 PolarHBondContact O-N 3.26Å; I1194-V1197 PolarHBondContact O-N 3.27Å; V1197-F1200 PolarHBondContact O-N 3.21Å; V1197-L1201 HydrophobicContact CG1-CD1 3.77Å; V1197-L1201 HydrophobicContact CG1-CG 4.3Å; V1197-L1201 WeakPolarHBondContact O-CB 3.39Å; V1197-L1201 WeakPolarHBondContact O-CG 3.39Å; V1197-L1201 PolarHBondContact O-N 2.87Å; V1197-L1266 HydrophobicContact CG2-CD1 4.41Å; V1197-L1266 HydrophobicContact CG2-CD2 3.9Å; V1197-P1294 HydrophobicContact CG2-CG 3.67Å |
| 1198 | T | 71.7 | Confident | 64.3 | Low | 70 Ų | 70 | 67.7 Ų | 67.7 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 176.6 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | I1194 D1195 F1196 F1200 S1202 | I1194-T1198 HydrophobicContact CG2-CG2 4.12Å; I1194-T1198 WeakPolarHBondContact O-CB 3.25Å; I1194-T1198 WeakPolarHBondContact O-CG2 3.37Å; I1194-T1198 PolarHBondContact O-N 2.96Å; I1194-T1198 PolarHBondContact O-OG1 2.81Å; D1195-T1198 WeakPolarHBondContact CA-OG1 3.31Å; D1195-T1198 PolarHBondContact O-OG1 3.01Å; F1196-T1198 PolarHBondContact O-N 3.03Å; T1198-F1200 PolarHBondContact O-N 3.43Å; T1198-S1202 PolarHBondContact O-N 2.96Å; T1198-S1202 VanDerWaalsContact O-N 3.16Å |
| 1199 | K | 69 | Low | 61.9 | Low | 83 Ų | 83 | 70.8 Ų | 70.8 | 36% | 0.361 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.8 | -48 | 170 | -77.8 | 175.2 | 176.1 | -175.1 | 0 | 111.5 | D1195 F1196 S1202 Q1203 L1218 F1219 | D1195-K1199 VanDerWaalsContact O-CB 3.3Å; D1195-K1199 WeakPolarHBondContact O-CB 3.49Å; D1195-K1199 WeakPolarHBondContact O-CD 3.43Å; D1195-K1199 WeakPolarHBondContact O-CG 3.46Å; D1195-K1199 PolarHBondContact O-N 3.06Å; D1195-K1199 VanDerWaalsContact O-N 3.15Å; F1196-K1199 PolarHBondContact O-N 2.82Å; K1199-S1202 WeakPolarHBondContact O-CB 3.49Å; K1199-S1202 PolarHBondContact O-N 3.25Å; K1199-S1202 PolarHBondContact O-OG 2.92Å; K1199-Q1203 PolarHBondContact O-N 3.18Å; K1199-L1218 PolarHBondContact NZ-O 2.83Å; K1199-F1219 HydrophobicContact CD-CE2 4.28Å; K1199-F1219 HydrophobicContact CD-CZ 4Å |
| 1200 | F | 63.6 | Low | 59.3 | Low | 54 Ų | 54 | 79.1 Ų | 79.1 | 24% | 0.237 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | -178.1 | -165.3 | -82.8 | 0 | 0 | 0 | 112.3 | F1196 V1197 T1198 S1202 Q1203 I1207 | F1196-F1200 HydrophobicContact CZ-CD2 4.28Å; F1196-F1200 VanDerWaalsContact O-CB 3.32Å; F1196-F1200 WeakPolarHBondContact O-CB 3.27Å; F1196-F1200 PolarHBondContact O-N 3.37Å; V1197-F1200 PolarHBondContact O-N 3.21Å; T1198-F1200 PolarHBondContact O-N 3.43Å; F1200-S1202 PolarHBondContact O-N 3.14Å; F1200-Q1203 PolarHBondContact O-N 3.29Å; F1200-I1207 HydrophobicContact CD1-CD1 4.37Å; F1200-I1207 HydrophobicContact CE1-CD1 3.61Å; F1200-I1207 HydrophobicContact CE1-CG1 3.67Å; F1200-I1207 HydrophobicContact CE2-CD1 4.4Å; F1200-I1207 HydrophobicContact CZ-CD1 3.63Å; F1200-I1207 HydrophobicContact CZ-CG1 3.49Å; F1200-I1207 VanDerWaalsContact CZ-CG1 3.49Å |
| 1201 | L | 58.6 | Low | 57.2 | Low | 93 Ų | 93 | 87 Ų | 87 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -28.4 | 175.6 | -73.8 | 169.7 | 0 | 0 | 0 | 112.8 | V1197 Q1203 | V1197-L1201 HydrophobicContact CG1-CD1 3.77Å; V1197-L1201 HydrophobicContact CG1-CG 4.3Å; V1197-L1201 WeakPolarHBondContact O-CB 3.39Å; V1197-L1201 WeakPolarHBondContact O-CG 3.39Å; V1197-L1201 PolarHBondContact O-N 2.87Å; L1201-Q1203 VanDerWaalsContact C-N 3.31Å |
| 1202 | S | 57.8 | Low | 55.3 | Low | 91 Ų | 91 | 89.8 Ų | 89.8 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.9 | -27.2 | 173.9 | 83.9 | 0 | 0 | 0 | 0 | 113.4 | T1198 K1199 F1200 | T1198-S1202 PolarHBondContact O-N 2.96Å; T1198-S1202 VanDerWaalsContact O-N 3.16Å; K1199-S1202 WeakPolarHBondContact O-CB 3.49Å; K1199-S1202 PolarHBondContact O-N 3.25Å; K1199-S1202 PolarHBondContact O-OG 2.92Å; F1200-S1202 PolarHBondContact O-N 3.14Å |
| 1203 | Q | 53.3 | Low | 53.3 | Low | 97 Ų | 97 | 100 Ų | 100 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -89.8 | -7.2 | -173.5 | -70.3 | -176.1 | -17.8 | 0 | 0 | 115 | K1199 F1200 L1201 F1205 | K1199-Q1203 PolarHBondContact O-N 3.18Å; F1200-Q1203 PolarHBondContact O-N 3.29Å; L1201-Q1203 VanDerWaalsContact C-N 3.31Å; Q1203-F1205 WeakPolarHBondContact O-CD2 3.28Å; Q1203-F1205 PolarHBondContact O-N 2.8Å |
| 1204 | R | 34.7 | Very low | 51.6 | Low | 233 Ų | 233 | 107.8 Ų | 107.8 | 88% | 0.879 | 52% | 0.524 | S | S | * | . | trans | 54.8 | 33.4 | 167.7 | -75.3 | -170.1 | 169.9 | -169.2 | 0 | 117.4 | ||||
| 1205 | F | 34.9 | Very low | 50.3 | Low | 164 Ų | 164 | 109.3 Ų | 109.3 | 72% | 0.719 | 53% | 0.527 | S | S | * | . | trans | -97.9 | 136.9 | 168.9 | -74.6 | -79.9 | 0 | 0 | 0 | 112.8 | Q1203 | Q1203-F1205 WeakPolarHBondContact O-CD2 3.28Å; Q1203-F1205 PolarHBondContact O-N 2.8Å | ||
| 1206 | S | 31.9 | Very low | 48.7 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | trans | -78.6 | 119.4 | 173 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | D1208 | S1206-D1208 PolarHBondContact O-N 3.32Š| ||
| 1207 | I | 33 | Very low | 47.6 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | trans | -80.2 | 106.5 | -178.1 | -53.6 | 174.9 | 0 | 0 | 0 | 110.2 | F1200 V1209 | F1200-I1207 HydrophobicContact CD1-CD1 4.37Å; F1200-I1207 HydrophobicContact CE1-CD1 3.61Å; F1200-I1207 HydrophobicContact CE1-CG1 3.67Å; F1200-I1207 HydrophobicContact CE2-CD1 4.4Å; F1200-I1207 HydrophobicContact CZ-CD1 3.63Å; F1200-I1207 HydrophobicContact CZ-CG1 3.49Å; F1200-I1207 VanDerWaalsContact CZ-CG1 3.49Å; I1207-V1209 HydrophobicContact CG2-CB 4.47Å; I1207-V1209 HydrophobicContact CG2-CG2 3.68Å | ||
| 1208 | D | 33.8 | Very low | 46.7 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 84% | 0.84 | 59% | 0.591 | S | S | * | * | trans | -73.7 | 121.3 | 147 | -84.4 | -51.9 | 0 | 0 | 0 | 108.1 | S1206 F1210 | S1206-D1208 PolarHBondContact O-N 3.32Å; D1208-F1210 PolarHBondContact O-N 3.46Å | ||
| 1209 | V | 34 | Very low | 46 | Very low | 67 Ų | 67 | 121 Ų | 121 | 41% | 0.406 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -89.3 | 98.2 | -170.2 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | I1207 | I1207-V1209 HydrophobicContact CG2-CB 4.47Å; I1207-V1209 HydrophobicContact CG2-CG2 3.68Å |
| 1210 | F | 33.4 | Very low | 45.3 | Very low | 176 Ų | 176 | 123 Ų | 123 | 77% | 0.772 | 59% | 0.594 | S | S | * | * | trans | -159.3 | -26.3 | 150.1 | -103.1 | -59.9 | 0 | 0 | 0 | 117.8 | D1208 | D1208-F1210 PolarHBondContact O-N 3.46Š| ||
| 1211 | E | 38.3 | Very low | 44.7 | Very low | 165 Ų | 165 | 121.8 Ų | 121.8 | 77% | 0.771 | 59% | 0.594 | S | S | * | * | trans | -85.4 | 136.5 | -173.6 | -60.9 | -165.7 | 155 | 0 | 0 | 114 | ||||
| 1212 | E | 43.5 | Very low | 44.3 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | trans | -99.7 | -17.8 | -174.8 | -59.1 | -158.8 | 144.5 | 0 | 0 | 114.1 | R1295 | E1212-R1295 IonicContact OE1-CZ 3.91Å; E1212-R1295 IonicContact OE1-NH1 3.98Å; E1212-R1295 PolarHBondContact OE1-NH1 3.49Å; E1212-R1295 IonicContact OE1-NH2 2.98Å | ||
| 1213 | Y | 40.9 | Very low | 44.3 | Very low | 221 Ų | 221 | 125.6 Ų | 125.6 | 87% | 0.867 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -75.1 | -30.1 | -163.1 | -100.6 | -89 | 0 | 0 | 0 | 116.3 | ||
| 1214 | E | 46.6 | Very low | 44.6 | Very low | 164 Ų | 164 | 121.9 Ų | 121.9 | 77% | 0.766 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -79.7 | -19 | -175 | -63 | -164.5 | 136.8 | 0 | 0 | 114.2 | L1216 Q1217 | E1214-L1216 PolarHBondContact O-N 3.11Å; E1214-L1216 VanDerWaalsContact O-N 3.1Å; E1214-Q1217 PolarHBondContact O-N 3.48Å |
| 1215 | R | 51.4 | Low | 45.9 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 25% | 0.245 | 59% | 0.588 | C | S | . | * | G | 310 helix | trans | -66.3 | -20.5 | -164.9 | -60 | -177.9 | -175 | -138.9 | -4.1 | 114.7 | Q1217 | R1215-Q1217 PolarHBondContact O-N 3.2Š|
| 1216 | L | 45.7 | Very low | 47.2 | Very low | 125 Ų | 125 | 111.8 Ų | 111.8 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -76.6 | -15.8 | -175.6 | -77.7 | 162.9 | 0 | 0 | 0 | 114.3 | E1214 L1218 | E1214-L1216 PolarHBondContact O-N 3.11Å; E1214-L1216 VanDerWaalsContact O-N 3.1Å; L1216-L1218 VanDerWaalsContact C-N 3.29Å; L1216-L1218 PolarHBondContact O-N 3.17Å |
| 1217 | Q | 51.7 | Low | 49 | Very low | 180 Ų | 180 | 107 Ų | 107 | 84% | 0.841 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -79 | -3.8 | -176.5 | -63.2 | -170.8 | 8.1 | 0 | 0 | 114.8 | E1214 R1215 | E1214-Q1217 PolarHBondContact O-N 3.48Å; R1215-Q1217 PolarHBondContact O-N 3.2Å |
| 1218 | L | 53.6 | Low | 50.8 | Low | 46 Ų | 46 | 106.3 Ų | 106.3 | 24% | 0.241 | 53% | 0.531 | C | S | . | . | G | 310 helix | trans | -87.6 | -6.3 | -172.9 | -74.8 | 165.2 | 0 | 0 | 0 | 115.3 | F1196 K1199 L1216 | F1196-L1218 HydrophobicContact CD2-CD1 4.4Å; F1196-L1218 HydrophobicContact CE2-CD1 3.77Å; K1199-L1218 PolarHBondContact NZ-O 2.83Å; L1216-L1218 VanDerWaalsContact C-N 3.29Å; L1216-L1218 PolarHBondContact O-N 3.17Å |
| 1219 | F | 55.4 | Low | 52.7 | Low | 42 Ų | 42 | 99.2 Ų | 99.2 | 18% | 0.184 | 50% | 0.495 | C | S | . | . | trans | -147.4 | 123.7 | 178.8 | -74.2 | -91.6 | 0 | 0 | 0 | 111.2 | D1195 F1196 K1199 A1221 V1224 F1293 | D1195-F1219 HydrophobicContact CB-CZ 4.38Å; F1196-F1219 HydrophobicContact CB-CE2 4.21Å; F1196-F1219 HydrophobicContact CD2-CE2 4.21Å; K1199-F1219 HydrophobicContact CD-CE2 4.28Å; K1199-F1219 HydrophobicContact CD-CZ 4Å; F1219-A1221 PolarHBondContact O-N 2.8Å; F1219-V1224 HydrophobicContact CB-CG2 4.4Å; F1219-V1224 HydrophobicContact CD1-CG2 4.12Å; F1219-F1293 HydrophobicContact CD2-CE1 4.07Å; F1219-F1293 HydrophobicContact CD2-CZ 4.29Å; F1219-F1293 HydrophobicContact CE2-CE1 4.08Å | ||
| 1220 | D | 55.9 | Low | 54.8 | Low | 125 Ų | 125 | 98.5 Ų | 98.5 | 67% | 0.668 | 49% | 0.492 | S | S | * | . | trans | -70.9 | 123.3 | 163.6 | -92.4 | -46.1 | 0 | 0 | 0 | 109.3 | N1222 T1223 V1224 | D1220-N1222 PolarHBondContact O-N 2.8Å; D1220-T1223 WeakPolarHBondContact CB-OG1 3.12Å; D1220-T1223 PolarHBondContact O-N 3.39Å; D1220-T1223 VanDerWaalsContact O-N 3.12Å; D1220-T1223 PolarHBondContact O-OG1 3.47Å; D1220-V1224 WeakPolarHBondContact O-CG2 3.3Å | ||
| 1221 | A | 50 | Low | 57 | Low | 29 Ų | 29 | 91.5 Ų | 91.5 | 24% | 0.24 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1219 N1285 E1286 | F1219-A1221 PolarHBondContact O-N 2.8Å; A1221-N1285 WeakPolarHBondContact O-CB 3.37Å; A1221-N1285 PolarHBondContact O-ND2 2.81Å; A1221-E1286 HydrophobicContact CB-CG 3.75Å |
| 1222 | N | 51.2 | Low | 59 | Low | 156 Ų | 156 | 83.8 Ų | 83.8 | 83% | 0.834 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -5.9 | -177.1 | -66 | -36.2 | 0 | 0 | 0 | 114.6 | D1220 | D1220-N1222 PolarHBondContact O-N 2.8Š|
| 1223 | T | 55.9 | Low | 60.7 | Low | 107 Ų | 107 | 80.1 Ų | 80.1 | 66% | 0.656 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -121.7 | 16.7 | -172.2 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | D1220 E1225 | D1220-T1223 WeakPolarHBondContact CB-OG1 3.12Å; D1220-T1223 PolarHBondContact O-N 3.39Å; D1220-T1223 VanDerWaalsContact O-N 3.12Å; D1220-T1223 PolarHBondContact O-OG1 3.47Å; T1223-E1225 PolarHBondContact O-N 2.91Å |
| 1224 | V | 60.2 | Low | 62.5 | Low | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | trans | -86.3 | 104.9 | -175.1 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | L1192 F1219 D1220 V1226 | L1192-V1224 HydrophobicContact CD1-CG1 4.14Å; L1192-V1224 HydrophobicContact CD2-CG1 3.39Å; L1192-V1224 HydrophobicContact CG-CG1 4.43Å; F1219-V1224 HydrophobicContact CB-CG2 4.4Å; F1219-V1224 HydrophobicContact CD1-CG2 4.12Å; D1220-V1224 WeakPolarHBondContact O-CG2 3.3Å; V1224-V1226 HydrophobicContact CG1-CG2 4.39Å; V1224-V1226 PolarHBondContact O-N 2.66Å | ||
| 1225 | E | 62.4 | Low | 64.3 | Low | 155 Ų | 155 | 63.2 Ų | 63.2 | 72% | 0.724 | 35% | 0.349 | S | S | * | . | trans | -72.8 | 87 | 172.1 | -69.9 | -171.9 | 173.6 | 0 | 0 | 111.9 | K1191 T1223 G1227 | K1191-E1225 PolarHBondContact NZ-O 3.01Å; K1191-E1225 IonicContact NZ-OE2 3.58Å; T1223-E1225 PolarHBondContact O-N 2.91Å; E1225-G1227 PolarHBondContact O-N 2.97Å | ||
| 1226 | V | 63.3 | Low | 66 | Low | 31 Ų | 31 | 61.4 Ų | 61.4 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | trans | -68.1 | 131.2 | 167.4 | -157.3 | 0 | 0 | 0 | 0 | 109.2 | W1141 F1173 L1192 V1224 L1288 | W1141-V1226 HydrophobicContact CH2-CB 4.1Å; W1141-V1226 HydrophobicContact CH2-CG1 3.72Å; W1141-V1226 HydrophobicContact CH2-CG2 4.43Å; W1141-V1226 HydrophobicContact CZ2-CB 4.37Å; W1141-V1226 HydrophobicContact CZ2-CG1 4.34Å; W1141-V1226 HydrophobicContact CZ2-CG2 4.25Å; W1141-V1226 HydrophobicContact CZ3-CB 4.28Å; W1141-V1226 HydrophobicContact CZ3-CG1 4.04Å; F1173-V1226 HydrophobicContact CE1-CG1 3.98Å; F1173-V1226 HydrophobicContact CZ-CG1 3.61Å; L1192-V1226 HydrophobicContact CD1-CG2 4.46Å; V1224-V1226 HydrophobicContact CG1-CG2 4.39Å; V1224-V1226 PolarHBondContact O-N 2.66Å; V1226-L1288 HydrophobicContact CG1-CD2 4.07Å; V1226-L1288 HydrophobicContact CG2-CD2 4Å | ||
| 1227 | G | 67.9 | Low | 67.9 | Low | 15 Ų | 15 | 56.4 Ų | 56.4 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | trans | -159.9 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1225 G1229 | E1225-G1227 PolarHBondContact O-N 2.97Å; G1227-G1229 PolarHBondContact O-N 2.66Å | ||
| 1228 | V | 71.2 | Confident | 69.3 | Low | 81 Ų | 81 | 48.3 Ų | 48.3 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | trans | -55.8 | 127.4 | -179.7 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | L1145 D1171 | L1145-V1228 HydrophobicContact CD2-CG2 4.16Å; D1171-V1228 WeakPolarHBondContact O-CA 3.48Å | ||
| 1229 | G | 73.4 | Confident | 70.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | trans | -110.4 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1171 T1190 G1227 A1231 | D1171-G1229 PolarHBondContact O-N 3.06Å; T1190-G1229 WeakPolarHBondContact OG1-CA 3.48Å; G1227-G1229 PolarHBondContact O-N 2.66Å; G1229-A1231 PolarHBondContact O-N 2.84Å | ||
| 1230 | P | 78.9 | Confident | 70.7 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 121.8 | 174.3 | 28.4 | -32.3 | 0 | 0 | 0 | 109.7 | T1190 I1194 | T1190-P1230 PolarHBondContact OG1-O 2.92Å; I1194-P1230 HydrophobicContact CD1-CG 3.29Å |
| 1231 | A | 79 | Confident | 70.7 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 145.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1229 | G1229-A1231 PolarHBondContact O-N 2.84Š|
| 1232 | A | 81.3 | Confident | 70.7 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 134.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1154 L1155 V1235 A1259 S1260 L1261 | H1154-A1232 PolarHBondContact CD2-O 2.85Å; L1155-A1232 WeakPolarHBondContact CD1-O 3.5Å; A1232-V1235 HydrophobicContact CB-CG1 3.69Å; A1232-A1259 HydrophobicContact CB-CB 4.09Å; A1232-S1260 CarbonylContact C-O 3.56Å; A1232-S1260 VanDerWaalsContact CA-O 3.3Å; A1232-S1260 WeakPolarHBondContact CA-O 3.39Å; A1232-L1261 HydrophobicContact CB-CD2 3.97Å |
| 1233 | S | 78.5 | Confident | 70.2 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -85.7 | -23.9 | 179.9 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | S1260 V1306 | S1233-S1260 PolarHBondContact N-O 3.05Å; S1233-S1260 PolarHBondContact OG-O 2.75Å; S1233-V1306 WeakPolarHBondContact CB-O 3.27Å; S1233-V1306 PolarHBondContact OG-O 3.01Å |
| 1234 | C | 79.1 | Confident | 68.9 | Low | 11 Ų | 11 | 44.4 Ų | 44.4 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 152.4 | 166.7 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | A1259 S1260 V1306 M1309 | C1234-A1259 WeakPolarHBondContact O-CA 3.41Å; C1234-S1260 PolarHBondContact O-N 3.46Å; C1234-V1306 PolarHBondContact SG-O 3.07Å; C1234-V1306 VanDerWaalsContact SG-O 3.35Å; C1234-M1309 WeakPolarHBondContact O-CE 3.32Å |
| 1235 | V | 85.3 | Confident | 67.8 | Low | 19 Ų | 19 | 47.2 Ų | 47.2 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149 | -177.4 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | L1155 A1232 F1257 A1258 A1259 | L1155-V1235 HydrophobicContact CB-CG2 4.01Å; L1155-V1235 HydrophobicContact CD1-CG1 4.31Å; L1155-V1235 HydrophobicContact CD1-CG2 4.18Å; A1232-V1235 HydrophobicContact CB-CG1 3.69Å; V1235-F1257 HydrophobicContact CB-CE2 4.14Å; V1235-F1257 HydrophobicContact CB-CZ 3.75Å; V1235-F1257 HydrophobicContact CG1-CE1 4.45Å; V1235-F1257 HydrophobicContact CG1-CZ 3.86Å; V1235-F1257 HydrophobicContact CG2-CZ 4.49Å; V1235-A1258 CarbonylContact C-O 3.52Å; V1235-A1258 VanDerWaalsContact CA-O 3.31Å; V1235-A1258 WeakPolarHBondContact CA-O 3.49Å; V1235-A1259 HydrophobicContact CG1-CB 3.69Å |
| 1236 | I | 86 | Confident | 66.5 | Low | 27 Ų | 27 | 44.8 Ų | 44.8 | 14% | 0.138 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 141.4 | 179.3 | -167.9 | 165.9 | 0 | 0 | 0 | 111.7 | L1238 A1258 M1309 A1311 L1320 | I1236-L1238 HydrophobicContact CG2-CD2 4.23Å; I1236-A1258 HydrophobicContact CG2-CB 4.01Å; I1236-A1258 PolarHBondContact N-O 3.31Å; I1236-A1258 PolarHBondContact O-N 2.89Å; I1236-M1309 HydrophobicContact CG2-CB 4.07Å; I1236-M1309 HydrophobicContact CG2-CE 4.18Å; I1236-A1311 HydrophobicContact CD1-CB 4.11Å; I1236-L1320 HydrophobicContact CG2-CD1 4.16Å |
| 1237 | F | 84.9 | Confident | 65.4 | Low | 19 Ų | 19 | 48.3 Ų | 48.3 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.7 | 164 | -77.7 | -88.2 | 0 | 0 | 0 | 110.4 | V1158 I1164 A1166 F1176 I1255 F1257 L1270 | V1158-F1237 WeakPolarHBondContact O-CD2 3.48Å; I1164-F1237 HydrophobicContact CB-CZ 4.31Å; I1164-F1237 HydrophobicContact CG2-CE1 4.34Å; I1164-F1237 HydrophobicContact CG2-CZ 3.92Å; A1166-F1237 HydrophobicContact CB-CE2 3.74Å; A1166-F1237 HydrophobicContact CB-CZ 3.82Å; F1176-F1237 HydrophobicContact CD1-CE1 4.47Å; F1176-F1237 HydrophobicContact CD1-CZ 4.08Å; F1176-F1237 HydrophobicContact CE1-CE1 4.32Å; F1176-F1237 HydrophobicContact CE1-CZ 4.07Å; F1237-I1255 HydrophobicContact CD1-CG2 3.87Å; F1237-I1255 HydrophobicContact CE1-CG2 4.02Å; F1237-F1257 HydrophobicContact CD1-CB 4.31Å; F1237-F1257 HydrophobicContact CD1-CD2 4.07Å; F1237-F1257 HydrophobicContact CD2-CD2 4.06Å; F1237-F1257 HydrophobicContact CD2-CE2 4.45Å; F1237-F1257 HydrophobicContact CE1-CB 4.36Å; F1237-F1257 HydrophobicContact CE1-CD2 4.01Å; F1237-F1257 HydrophobicContact CE2-CD2 4Å; F1237-F1257 HydrophobicContact CE2-CE2 4.26Å; F1237-F1257 HydrophobicContact CG-CD2 4.11Å; F1237-F1257 AromaticContact CZ-CD2 3.98Å; F1237-F1257 HydrophobicContact CZ-CD2 3.98Å; F1237-L1270 HydrophobicContact CE1-CD1 3.95Å |
| 1238 | L | 83 | Confident | 64.3 | Low | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.3 | 179.4 | -56 | 177.3 | 0 | 0 | 0 | 110.2 | I1236 F1256 A1258 I1267 A1311 L1320 V1334 | I1236-L1238 HydrophobicContact CG2-CD2 4.23Å; L1238-F1256 HydrophobicContact CB-CB 4.06Å; L1238-F1256 HydrophobicContact CD1-CB 4.12Å; L1238-F1256 HydrophobicContact CG-CB 4.43Å; L1238-F1256 PolarHBondContact N-O 3.24Å; L1238-A1258 HydrophobicContact CD1-CB 4.24Å; L1238-A1258 HydrophobicContact CD2-CB 4.05Å; L1238-A1258 HydrophobicContact CG-CB 4.13Å; L1238-I1267 HydrophobicContact CD1-CD1 3.86Å; L1238-I1267 HydrophobicContact CD1-CG1 4.16Å; L1238-I1267 HydrophobicContact CD1-CG2 3.65Å; L1238-A1311 HydrophobicContact CD2-CB 3.56Å; L1238-L1320 HydrophobicContact CD2-CD1 4.01Å; L1238-V1334 HydrophobicContact CD1-CG1 3.83Å; L1238-V1334 HydrophobicContact CD1-CG2 4.15Å |
| 1239 | P | 73.2 | Confident | 63.1 | Low | 15 Ų | 15 | 54.3 Ų | 54.3 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 139.9 | -178.1 | 26.9 | -36 | 0 | 0 | 0 | 111.5 | E1160 I1313 | E1160-P1239 WeakPolarHBondContact OE2-CA 3.41Å; E1160-P1239 WeakPolarHBondContact OE2-CB 3.27Å; P1239-I1313 HydrophobicContact CB-CD1 4.05Å; P1239-I1313 HydrophobicContact CB-CG1 3.99Å; P1239-I1313 HydrophobicContact CG-CD1 4.35Å; P1239-I1313 HydrophobicContact CG-CG1 3.76Å |
| 1240 | S | 64.1 | Low | 61.6 | Low | 49 Ų | 49 | 59.3 Ų | 59.3 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -77 | 140.4 | -170.4 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1241 | F | 56.3 | Low | 60.3 | Low | 71 Ų | 71 | 64.1 Ų | 64.1 | 31% | 0.311 | 38% | 0.382 | S | S | . | . | trans | -92.2 | 108.8 | 177.7 | -101 | -81.9 | 0 | 0 | 0 | 111 | G1316 C1318 | F1241-G1316 VanDerWaalsContact CE1-O 3.26Å; F1241-G1316 WeakPolarHBondContact CE1-O 3.34Å; F1241-C1318 HydrophobicContact CD2-CB 4.12Å; F1241-C1318 HydrophobicContact CE2-CB 3.48Å; F1241-C1318 VanDerWaalsContact CE2-CB 3.48Å; F1241-C1318 HydrophobicContact CZ-CB 4.23Å | ||
| 1242 | T | 50.4 | Low | 59 | Low | 67 Ų | 67 | 67.1 Ų | 67.1 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | trans | -102.8 | 89.6 | 170.3 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | C1244 M1250 A1253 | T1242-C1244 PolarHBondContact O-N 3.28Å; T1242-M1250 HydrophobicContact CG2-CE 4.39Å; T1242-M1250 HydrophobicContact CG2-SD 3.79Å; T1242-A1253 HydrophobicContact CG2-CB 4.4Å | ||
| 1243 | N | 40.3 | Very low | 58 | Low | 135 Ų | 135 | 68.1 Ų | 68.1 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | trans | -91.1 | 61 | 173.5 | -79.1 | -24.1 | 0 | 0 | 0 | 111.5 | ||||
| 1244 | C | 28.8 | Very low | 57.4 | Low | 86 Ų | 86 | 69.3 Ų | 69.3 | 58% | 0.581 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -149.2 | 155.4 | 170.5 | -124 | 0 | 0 | 0 | 0 | 111.4 | T1242 | T1242-C1244 PolarHBondContact O-N 3.28Š|
| 1245 | G | 36.3 | Very low | 57.2 | Low | 79 Ų | 79 | 70.9 Ų | 70.9 | 81% | 0.814 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -86.7 | -3.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1246 | D | 35.1 | Very low | 57.1 | Low | 104 Ų | 104 | 72.2 Ų | 72.2 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | trans | -103.3 | 123.6 | -175.5 | -82.3 | -67.5 | 0 | 0 | 0 | 111.6 | N1248 D1249 | D1246-N1248 PolarHBondContact O-N 3.16Å; D1246-D1249 PolarHBondContact O-N 2.99Å | ||
| 1247 | P | 40.8 | Very low | 57.2 | Low | 104 Ų | 104 | 71 Ų | 71 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.6 | -178.5 | 28.8 | -35.6 | 0 | 0 | 0 | 114.1 | ||
| 1248 | N | 43.8 | Very low | 57.3 | Low | 136 Ų | 136 | 70 Ų | 70 | 73% | 0.727 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -17.6 | 179.4 | -61.5 | -42.4 | 0 | 0 | 0 | 113.6 | D1246 M1250 | D1246-N1248 PolarHBondContact O-N 3.16Å; N1248-M1250 VanDerWaalsContact C-N 3.26Å; N1248-M1250 PolarHBondContact O-N 2.72Å |
| 1249 | D | 47.1 | Very low | 57.5 | Low | 87 Ų | 87 | 69.6 Ų | 69.6 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -77.3 | -8.4 | -177.2 | -98.7 | -7.8 | 0 | 0 | 0 | 113.8 | D1246 N1251 N1252 | D1246-D1249 PolarHBondContact O-N 2.99Å; D1249-N1251 PolarHBondContact O-N 2.67Å; D1249-N1251 VanDerWaalsContact O-N 3.08Å; D1249-N1252 PolarHBondContact O-N 2.87Å |
| 1250 | M | 42.2 | Very low | 58.2 | Low | 113 Ų | 113 | 68.9 Ų | 68.9 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -50.1 | -36.4 | -177.5 | -78.7 | -74.8 | -178 | 0 | 0 | 113.9 | T1242 N1248 N1252 | T1242-M1250 HydrophobicContact CG2-CE 4.39Å; T1242-M1250 HydrophobicContact CG2-SD 3.79Å; N1248-M1250 VanDerWaalsContact C-N 3.26Å; N1248-M1250 PolarHBondContact O-N 2.72Å; M1250-N1252 PolarHBondContact O-N 2.79Å |
| 1251 | N | 49.8 | Very low | 59 | Low | 152 Ų | 152 | 66.5 Ų | 66.5 | 81% | 0.813 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -69.9 | -12.6 | -172.9 | -66.3 | 2.8 | 0 | 0 | 0 | 114.5 | D1249 | D1249-N1251 PolarHBondContact O-N 2.67Å; D1249-N1251 VanDerWaalsContact O-N 3.08Å |
| 1252 | N | 52.8 | Low | 59.9 | Low | 93 Ų | 93 | 65.9 Ų | 65.9 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -110.2 | 9 | -173.3 | -83.1 | -39.9 | 0 | 0 | 0 | 114.6 | D1249 M1250 | D1249-N1252 PolarHBondContact O-N 2.87Å; M1250-N1252 PolarHBondContact O-N 2.79Å |
| 1253 | A | 60.6 | Low | 61 | Low | 23 Ų | 23 | 65.3 Ų | 65.3 | 19% | 0.19 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 130.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1242 I1255 | T1242-A1253 HydrophobicContact CG2-CB 4.4Å; A1253-I1255 PolarHBondContact O-N 3.13Å |
| 1254 | P | 66.4 | Low | 62.9 | Low | 56 Ų | 56 | 60.7 Ų | 60.7 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 130.4 | 179.1 | 26.8 | -33.3 | 0 | 0 | 0 | 111.7 | F1256 | P1254-F1256 HydrophobicContact CB-CE2 4.22Å; P1254-F1256 HydrophobicContact CG-CE2 3.99Å; P1254-F1256 HydrophobicContact CG-CZ 4.41Å; P1254-F1256 VanDerWaalsContact O-CD2 3.3Å; P1254-F1256 WeakPolarHBondContact O-CD2 3.48Å; P1254-F1256 WeakPolarHBondContact O-CE2 3.33Å |
| 1255 | I | 74.8 | Confident | 65.5 | Low | 44 Ų | 44 | 56.6 Ų | 56.6 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 126.1 | -176.3 | -60.9 | 149.7 | 0 | 0 | 0 | 109.6 | I1164 F1237 A1253 L1270 | I1164-I1255 HydrophobicContact CD1-CD1 3.76Å; F1237-I1255 HydrophobicContact CD1-CG2 3.87Å; F1237-I1255 HydrophobicContact CE1-CG2 4.02Å; A1253-I1255 PolarHBondContact O-N 3.13Å; I1255-L1270 HydrophobicContact CB-CB 4.48Å; I1255-L1270 HydrophobicContact CG2-CD1 4Å; I1255-L1270 PolarHBondContact O-N 3.18Å |
| 1256 | F | 83.1 | Confident | 68 | Low | 47 Ų | 47 | 52.8 Ų | 52.8 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.2 | 180 | -65.1 | -92.7 | 0 | 0 | 0 | 111.4 | L1238 P1254 I1267 W1268 C1269 | L1238-F1256 HydrophobicContact CB-CB 4.06Å; L1238-F1256 HydrophobicContact CD1-CB 4.12Å; L1238-F1256 HydrophobicContact CG-CB 4.43Å; L1238-F1256 PolarHBondContact N-O 3.24Å; P1254-F1256 HydrophobicContact CB-CE2 4.22Å; P1254-F1256 HydrophobicContact CG-CE2 3.99Å; P1254-F1256 HydrophobicContact CG-CZ 4.41Å; P1254-F1256 VanDerWaalsContact O-CD2 3.3Å; P1254-F1256 WeakPolarHBondContact O-CD2 3.48Å; P1254-F1256 WeakPolarHBondContact O-CE2 3.33Å; F1256-I1267 HydrophobicContact CB-CG2 4.28Å; F1256-I1267 HydrophobicContact CD1-CG2 4.22Å; F1256-W1268 WeakPolarHBondContact CA-O 3.46Å; F1256-C1269 HydrophobicContact CD1-CB 4.06Å; F1256-C1269 HydrophobicContact CE1-CB 4.02Å |
| 1257 | F | 87.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.3 | -179.8 | 175.8 | -95.8 | 0 | 0 | 0 | 110.1 | A1166 I1174 F1176 V1235 F1237 A1259 I1267 W1268 | A1166-F1257 HydrophobicContact CB-CD2 4.12Å; A1166-F1257 HydrophobicContact CB-CE2 3.48Å; A1166-F1257 VanDerWaalsContact CB-CE2 3.48Å; A1166-F1257 HydrophobicContact CB-CZ 3.95Å; I1174-F1257 HydrophobicContact CD1-CE1 4.06Å; I1174-F1257 HydrophobicContact CG2-CE1 4.02Å; I1174-F1257 HydrophobicContact CG2-CZ 4.07Å; F1176-F1257 HydrophobicContact CE1-CB 4.15Å; F1176-F1257 HydrophobicContact CE1-CD1 4.07Å; F1176-F1257 AromaticContact CE1-CD2 3.83Å; F1176-F1257 HydrophobicContact CE1-CD2 3.83Å; F1176-F1257 HydrophobicContact CE1-CE1 4.4Å; F1176-F1257 HydrophobicContact CE1-CE2 4.18Å; F1176-F1257 AromaticContact CE1-CG 3.74Å; F1176-F1257 HydrophobicContact CE1-CG 3.74Å; F1176-F1257 HydrophobicContact CE1-CZ 4.44Å; F1176-F1257 HydrophobicContact CZ-CB 4.35Å; F1176-F1257 AromaticContact CZ-CD1 3.67Å; F1176-F1257 HydrophobicContact CZ-CD1 3.67Å; F1176-F1257 HydrophobicContact CZ-CD2 4.27Å; F1176-F1257 AromaticContact CZ-CE1 3.92Å; F1176-F1257 HydrophobicContact CZ-CE1 3.92Å; F1176-F1257 HydrophobicContact CZ-CE2 4.49Å; F1176-F1257 AromaticContact CZ-CG 3.84Å; F1176-F1257 HydrophobicContact CZ-CG 3.84Å; F1176-F1257 HydrophobicContact CZ-CZ 4.31Å; V1235-F1257 HydrophobicContact CB-CE2 4.14Å; V1235-F1257 HydrophobicContact CB-CZ 3.75Å; V1235-F1257 HydrophobicContact CG1-CE1 4.45Å; V1235-F1257 HydrophobicContact CG1-CZ 3.86Å; V1235-F1257 HydrophobicContact CG2-CZ 4.49Å; F1237-F1257 HydrophobicContact CD1-CB 4.31Å; F1237-F1257 HydrophobicContact CD1-CD2 4.07Å; F1237-F1257 HydrophobicContact CD2-CD2 4.06Å; F1237-F1257 HydrophobicContact CD2-CE2 4.45Å; F1237-F1257 HydrophobicContact CE1-CB 4.36Å; F1237-F1257 HydrophobicContact CE1-CD2 4.01Å; F1237-F1257 HydrophobicContact CE2-CD2 4Å; F1237-F1257 HydrophobicContact CE2-CE2 4.26Å; F1237-F1257 HydrophobicContact CG-CD2 4.11Å; F1237-F1257 AromaticContact CZ-CD2 3.98Å; F1237-F1257 HydrophobicContact CZ-CD2 3.98Å; F1257-A1259 HydrophobicContact CE1-CB 4.22Å; F1257-I1267 CarbonylContact O-C 3.56Å; F1257-I1267 VanDerWaalsContact O-CA 3.3Å; F1257-I1267 WeakPolarHBondContact O-CA 3.44Å; F1257-W1268 HydrophobicContact CD1-CE3 4.06Å; F1257-W1268 HydrophobicContact CD1-CZ3 4.4Å; F1257-W1268 PolarHBondContact N-O 2.9Å; F1257-W1268 PolarHBondContact O-N 3.19Å |
| 1258 | A | 87.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | V1235 I1236 L1238 L1266 I1267 M1309 | V1235-A1258 CarbonylContact C-O 3.52Å; V1235-A1258 VanDerWaalsContact CA-O 3.31Å; V1235-A1258 WeakPolarHBondContact CA-O 3.49Å; I1236-A1258 HydrophobicContact CG2-CB 4.01Å; I1236-A1258 PolarHBondContact N-O 3.31Å; I1236-A1258 PolarHBondContact O-N 2.89Å; L1238-A1258 HydrophobicContact CD1-CB 4.24Å; L1238-A1258 HydrophobicContact CD2-CB 4.05Å; L1238-A1258 HydrophobicContact CG-CB 4.13Å; A1258-L1266 VanDerWaalsContact CA-O 3.31Å; A1258-L1266 WeakPolarHBondContact CA-O 3.29Å; A1258-I1267 HydrophobicContact CB-CG1 3.95Å; A1258-M1309 HydrophobicContact CB-CE 4.46Å |
| 1259 | A | 87.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | I1174 A1232 C1234 V1235 F1257 L1261 V1265 L1266 W1268 | I1174-A1259 HydrophobicContact CD1-CB 4.35Å; A1232-A1259 HydrophobicContact CB-CB 4.09Å; C1234-A1259 WeakPolarHBondContact O-CA 3.41Å; V1235-A1259 HydrophobicContact CG1-CB 3.69Å; F1257-A1259 HydrophobicContact CE1-CB 4.22Å; A1259-L1261 HydrophobicContact CB-CD2 4.49Å; A1259-V1265 WeakPolarHBondContact O-CA 3.4Å; A1259-L1266 PolarHBondContact N-O 2.85Å; A1259-L1266 PolarHBondContact O-N 2.85Å; A1259-W1268 HydrophobicContact CB-CH2 3.99Å; A1259-W1268 HydrophobicContact CB-CZ3 3.61Å |
| 1260 | S | 86.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.7 | 165.1 | -168.3 | 0 | 0 | 0 | 0 | 110.7 | A1232 S1233 C1234 S1262 Q1264 V1306 | A1232-S1260 CarbonylContact C-O 3.56Å; A1232-S1260 VanDerWaalsContact CA-O 3.3Å; A1232-S1260 WeakPolarHBondContact CA-O 3.39Å; S1233-S1260 PolarHBondContact N-O 3.05Å; S1233-S1260 PolarHBondContact OG-O 2.75Å; C1234-S1260 PolarHBondContact O-N 3.46Å; S1260-S1262 PolarHBondContact OG-O 2.98Å; S1260-Q1264 CarbonylContact C-O 3.58Å; S1260-Q1264 VanDerWaalsContact CA-O 3.27Å; S1260-Q1264 WeakPolarHBondContact CA-O 3.32Å; S1260-Q1264 PolarHBondContact OG-O 2.92Å; S1260-V1306 WeakPolarHBondContact OG-CB 3.47Å |
| 1261 | L | 82.1 | Confident | 77 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 99.8 | 174.1 | -54 | -176.4 | 0 | 0 | 0 | 107.7 | T1190 I1194 A1232 A1259 T1263 Q1264 L1266 W1268 | T1190-L1261 HydrophobicContact CG2-CD1 3.9Å; T1190-L1261 HydrophobicContact CG2-CD2 3.53Å; T1190-L1261 HydrophobicContact CG2-CG 4.39Å; I1194-L1261 HydrophobicContact CD1-CB 4.15Å; I1194-L1261 HydrophobicContact CD1-CD1 3.92Å; I1194-L1261 HydrophobicContact CG1-CD1 3.99Å; A1232-L1261 HydrophobicContact CB-CD2 3.97Å; A1259-L1261 HydrophobicContact CB-CD2 4.49Å; L1261-T1263 PolarHBondContact O-N 2.9Å; L1261-T1263 VanDerWaalsContact O-N 3.14Å; L1261-Q1264 PolarHBondContact N-O 2.86Å; L1261-Q1264 PolarHBondContact O-N 3.12Å; L1261-Q1264 VanDerWaalsContact O-N 3.08Å; L1261-L1266 HydrophobicContact CD1-CD1 3.74Å; L1261-L1266 HydrophobicContact CD1-CG 4.46Å; L1261-W1268 HydrophobicContact CD1-CH2 4.31Å |
| 1262 | S | 73.9 | Confident | 77.4 | Confident | 57 Ų | 57 | 27.9 Ų | 27.9 | 40% | 0.399 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -110.1 | -171.9 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | S1260 T1305 | S1260-S1262 PolarHBondContact OG-O 2.98Å; S1262-T1305 VanDerWaalsContact O-CA 3.24Å; S1262-T1305 WeakPolarHBondContact O-CA 3.44Å |
| 1263 | T | 74.7 | Confident | 77.5 | Confident | 55 Ų | 55 | 25.7 Ų | 25.7 | 34% | 0.337 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.7 | -180 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | L1261 C1300 | L1261-T1263 PolarHBondContact O-N 2.9Å; L1261-T1263 VanDerWaalsContact O-N 3.14Å; T1263-C1300 VanDerWaalsContact O-CB 3.24Å; T1263-C1300 WeakPolarHBondContact O-CB 3.31Å; T1263-C1300 PolarHBondContact O-SG 2.54Å |
| 1264 | Q | 78.9 | Confident | 77.2 | Confident | 38 Ų | 38 | 32.1 Ų | 32.1 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 152.7 | 178 | -61.9 | 179.1 | 8 | 0 | 0 | 110.5 | S1260 L1261 | S1260-Q1264 CarbonylContact C-O 3.58Å; S1260-Q1264 VanDerWaalsContact CA-O 3.27Å; S1260-Q1264 WeakPolarHBondContact CA-O 3.32Å; S1260-Q1264 PolarHBondContact OG-O 2.92Å; L1261-Q1264 PolarHBondContact N-O 2.86Å; L1261-Q1264 PolarHBondContact O-N 3.12Å; L1261-Q1264 VanDerWaalsContact O-N 3.08Å |
| 1265 | V | 85.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.2 | 163.6 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | A1259 L1298 V1306 M1309 L1320 W1332 | A1259-V1265 WeakPolarHBondContact O-CA 3.4Å; V1265-L1298 HydrophobicContact CB-CB 4.18Å; V1265-L1298 HydrophobicContact CB-CD1 4.43Å; V1265-L1298 HydrophobicContact CG1-CD1 4.1Å; V1265-L1298 PolarHBondContact N-O 3.04Å; V1265-L1298 PolarHBondContact O-N 2.84Å; V1265-V1306 HydrophobicContact CG2-CB 4.43Å; V1265-V1306 HydrophobicContact CG2-CG2 4.01Å; V1265-M1309 HydrophobicContact CG1-CE 4.44Å; V1265-M1309 HydrophobicContact CG1-SD 3.62Å; V1265-M1309 HydrophobicContact CG2-SD 4.01Å; V1265-L1320 HydrophobicContact CG1-CD2 4.16Å; V1265-W1332 HydrophobicContact CG2-CH2 4.27Å |
| 1266 | L | 87.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.4 | 179.8 | -61.4 | -172.8 | 0 | 0 | 0 | 109.8 | V1197 A1258 A1259 L1261 W1268 P1294 H1297 | V1197-L1266 HydrophobicContact CG2-CD1 4.41Å; V1197-L1266 HydrophobicContact CG2-CD2 3.9Å; A1258-L1266 VanDerWaalsContact CA-O 3.31Å; A1258-L1266 WeakPolarHBondContact CA-O 3.29Å; A1259-L1266 PolarHBondContact N-O 2.85Å; A1259-L1266 PolarHBondContact O-N 2.85Å; L1261-L1266 HydrophobicContact CD1-CD1 3.74Å; L1261-L1266 HydrophobicContact CD1-CG 4.46Å; L1266-W1268 HydrophobicContact CB-CE3 4.35Å; L1266-W1268 HydrophobicContact CB-CH2 3.52Å; L1266-W1268 HydrophobicContact CB-CZ2 3.89Å; L1266-W1268 HydrophobicContact CB-CZ3 3.76Å; L1266-W1268 HydrophobicContact CD1-CH2 4.11Å; L1266-W1268 HydrophobicContact CD1-CZ2 3.9Å; L1266-W1268 HydrophobicContact CG-CH2 4.39Å; L1266-W1268 WeakPolarHBondContact O-CZ3 3.27Å; L1266-P1294 HydrophobicContact CB-CB 4.13Å; L1266-P1294 HydrophobicContact CD1-CB 4.39Å; L1266-P1294 HydrophobicContact CD1-CG 4.28Å; L1266-P1294 HydrophobicContact CD2-CB 4.32Å; L1266-P1294 HydrophobicContact CD2-CG 4.35Å; L1266-H1297 HydrophobicContact CD2-CB 3.83Å |
| 1267 | I | 86.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.1 | 178.4 | -56.3 | 171.1 | 0 | 0 | 0 | 108.3 | L1238 F1256 F1257 A1258 P1294 R1295 L1296 L1298 V1334 | L1238-I1267 HydrophobicContact CD1-CD1 3.86Å; L1238-I1267 HydrophobicContact CD1-CG1 4.16Å; L1238-I1267 HydrophobicContact CD1-CG2 3.65Å; F1256-I1267 HydrophobicContact CB-CG2 4.28Å; F1256-I1267 HydrophobicContact CD1-CG2 4.22Å; F1257-I1267 CarbonylContact O-C 3.56Å; F1257-I1267 VanDerWaalsContact O-CA 3.3Å; F1257-I1267 WeakPolarHBondContact O-CA 3.44Å; A1258-I1267 HydrophobicContact CB-CG1 3.95Å; I1267-P1294 CarbonylContact O-C 3.59Å; I1267-R1295 PolarHBondContact O-N 3.16Å; I1267-L1296 HydrophobicContact CB-CB 4.04Å; I1267-L1296 HydrophobicContact CD1-CB 4.13Å; I1267-L1296 HydrophobicContact CG1-CB 4.47Å; I1267-L1296 PolarHBondContact N-O 2.82Å; I1267-L1296 PolarHBondContact O-N 2.96Å; I1267-L1296 VanDerWaalsContact O-N 3.15Å; I1267-L1298 HydrophobicContact CD1-CD1 4Å; I1267-L1298 HydrophobicContact CD1-CG 4.28Å; I1267-V1334 HydrophobicContact CD1-CG1 4.23Å |
| 1268 | W | 87.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 162 | 173.5 | -59.4 | -102.8 | 0 | 0 | 0 | 110.3 | I1188 S1193 F1256 F1257 A1259 L1261 L1266 S1292 F1293 | I1188-W1268 HydrophobicContact CD1-CB 3.98Å; I1188-W1268 HydrophobicContact CD1-CD2 4.03Å; I1188-W1268 HydrophobicContact CD1-CG 3.67Å; I1188-W1268 HydrophobicContact CG2-CZ2 4.03Å; S1193-W1268 WeakPolarHBondContact OG-CZ2 3.36Å; S1193-W1268 PolarHBondContact OG-NE1 2.79Å; F1256-W1268 WeakPolarHBondContact CA-O 3.46Å; F1257-W1268 HydrophobicContact CD1-CE3 4.06Å; F1257-W1268 HydrophobicContact CD1-CZ3 4.4Å; F1257-W1268 PolarHBondContact N-O 2.9Å; F1257-W1268 PolarHBondContact O-N 3.19Å; A1259-W1268 HydrophobicContact CB-CH2 3.99Å; A1259-W1268 HydrophobicContact CB-CZ3 3.61Å; L1261-W1268 HydrophobicContact CD1-CH2 4.31Å; L1266-W1268 HydrophobicContact CB-CE3 4.35Å; L1266-W1268 HydrophobicContact CB-CH2 3.52Å; L1266-W1268 HydrophobicContact CB-CZ2 3.89Å; L1266-W1268 HydrophobicContact CB-CZ3 3.76Å; L1266-W1268 HydrophobicContact CD1-CH2 4.11Å; L1266-W1268 HydrophobicContact CD1-CZ2 3.9Å; L1266-W1268 HydrophobicContact CG-CH2 4.39Å; L1266-W1268 WeakPolarHBondContact O-CZ3 3.27Å; W1268-S1292 PolarHBondContact NE1-O 3.49Å; W1268-F1293 VanDerWaalsContact CD1-C 3.49Å |
| 1269 | C | 80.9 | Confident | 71.3 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.9 | 170.7 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | F1256 R1295 | F1256-C1269 HydrophobicContact CD1-CB 4.06Å; F1256-C1269 HydrophobicContact CE1-CB 4.02Å; C1269-R1295 HydrophobicContact CB-CB 4.46Å |
| 1270 | L | 76.1 | Confident | 70 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 147.1 | 176.2 | -64.7 | 176.2 | 0 | 0 | 0 | 110 | I1164 F1176 F1237 I1255 | I1164-L1270 HydrophobicContact CD1-CD1 4.4Å; F1176-L1270 HydrophobicContact CD1-CD1 3.74Å; F1176-L1270 HydrophobicContact CD1-CD2 3.88Å; F1176-L1270 HydrophobicContact CD1-CG 4.44Å; F1176-L1270 HydrophobicContact CD2-CD2 4Å; F1176-L1270 HydrophobicContact CE1-CD1 4Å; F1176-L1270 HydrophobicContact CE1-CD2 3.92Å; F1176-L1270 HydrophobicContact CE1-CG 4.45Å; F1176-L1270 HydrophobicContact CE2-CD2 4.07Å; F1176-L1270 HydrophobicContact CG-CD1 4.38Å; F1176-L1270 HydrophobicContact CG-CD2 3.92Å; F1176-L1270 HydrophobicContact CZ-CD2 4.02Å; F1237-L1270 HydrophobicContact CE1-CD1 3.95Å; I1255-L1270 HydrophobicContact CB-CB 4.48Å; I1255-L1270 HydrophobicContact CG2-CD1 4Å; I1255-L1270 PolarHBondContact O-N 3.18Å |
| 1271 | P | 67.1 | Low | 68.9 | Low | 49 Ų | 49 | 62.8 Ų | 62.8 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 148.6 | 172.2 | 29.8 | -34.4 | 0 | 0 | 0 | 111 | T1273 | P1271-T1273 PolarHBondContact O-N 3.39Š|
| 1272 | N | 58.5 | Low | 68.2 | Low | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 138.5 | 178 | -74.4 | 32.9 | 0 | 0 | 0 | 111.4 | E1274 | N1272-E1274 VanDerWaalsContact C-N 3.27Å; N1272-E1274 PolarHBondContact O-N 3.37Å |
| 1273 | T | 55.3 | Low | 68 | Low | 48 Ų | 48 | 60.4 Ų | 60.4 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -7.2 | -165 | 42.9 | 0 | 0 | 0 | 0 | 115.4 | I1164 I1181 I1185 P1271 Y1275 | I1164-T1273 HydrophobicContact CD1-CG2 4.21Å; I1181-T1273 WeakPolarHBondContact CD1-O 3.47Å; I1185-T1273 HydrophobicContact CD1-CG2 4.5Å; P1271-T1273 PolarHBondContact O-N 3.39Å; T1273-Y1275 PolarHBondContact O-N 3.38Å |
| 1274 | E | 54.1 | Low | 67.9 | Low | 157 Ų | 157 | 62.1 Ų | 62.1 | 73% | 0.734 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.4 | -178.4 | -60.1 | -167.2 | 129.1 | 0 | 0 | 114.2 | N1272 Q1276 | N1272-E1274 VanDerWaalsContact C-N 3.27Å; N1272-E1274 PolarHBondContact O-N 3.37Å; E1274-Q1276 PolarHBondContact O-N 3.22Å |
| 1275 | Y | 54.2 | Low | 67.4 | Low | 178 Ų | 178 | 63 Ų | 63 | 70% | 0.698 | 31% | 0.312 | S | S | * | . | trans | -86.2 | 100.7 | -177.9 | -71.6 | -74.1 | 0 | 0 | 0 | 112.8 | T1273 F1277 | T1273-Y1275 PolarHBondContact O-N 3.38Å; Y1275-F1277 WeakPolarHBondContact O-CD2 3.48Å; Y1275-F1277 PolarHBondContact O-N 3.48Å | ||
| 1276 | Q | 51.3 | Low | 66.8 | Low | 173 Ų | 173 | 69.7 Ų | 69.7 | 81% | 0.808 | 34% | 0.344 | S | S | * | . | trans | -64.5 | 95.9 | 167.3 | -70 | -175.3 | -14.8 | 0 | 0 | 111.3 | E1274 | E1274-Q1276 PolarHBondContact O-N 3.22Š| ||
| 1277 | F | 55.2 | Low | 66.1 | Low | 84 Ų | 84 | 71 Ų | 71 | 37% | 0.368 | 35% | 0.351 | S | S | . | . | trans | -76.2 | 133.8 | 164.6 | -73.6 | -88 | 0 | 0 | 0 | 110.1 | Y1275 E1279 R1281 I1282 | Y1275-F1277 WeakPolarHBondContact O-CD2 3.48Å; Y1275-F1277 PolarHBondContact O-N 3.48Å; F1277-E1279 PolarHBondContact O-N 3.44Å; F1277-R1281 HydrophobicContact CD1-CB 4.1Å; F1277-I1282 HydrophobicContact CB-CG1 4.39Å | ||
| 1278 | S | 55.1 | Low | 65.6 | Low | 61 Ų | 61 | 71 Ų | 71 | 43% | 0.427 | 35% | 0.352 | S | S | . | . | trans | -63 | 130.2 | 158.5 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | S1280 R1281 | S1278-S1280 PolarHBondContact O-N 2.84Å; S1278-R1281 WeakPolarHBondContact O-CB 3.02Å; S1278-R1281 PolarHBondContact O-N 2.87Å; S1278-R1281 WeakPolarHBondContact OG-CG 3.31Å | ||
| 1279 | E | 59 | Low | 64.9 | Low | 84 Ų | 84 | 71.6 Ų | 71.6 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -50.9 | -33.9 | -170.6 | -60.1 | -168.4 | 130.3 | 0 | 0 | 114.1 | P1134 F1277 R1281 I1282 | P1134-E1279 HydrophobicContact CB-CB 4.13Å; F1277-E1279 PolarHBondContact O-N 3.44Å; E1279-R1281 PolarHBondContact O-N 3.39Å; E1279-R1281 VanDerWaalsContact O-N 3.16Å; E1279-I1282 WeakPolarHBondContact O-CB 3.19Å; E1279-I1282 PolarHBondContact O-N 3.4Å |
| 1280 | S | 59.9 | Low | 64.6 | Low | 78 Ų | 78 | 78 Ų | 78 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -58.8 | -22.8 | 175.9 | 60 | 0 | 0 | 0 | 0 | 115.1 | S1278 | S1278-S1280 PolarHBondContact O-N 2.84Š|
| 1281 | R | 63.5 | Low | 64.6 | Low | 133 Ų | 133 | 79.3 Ų | 79.3 | 50% | 0.502 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -83 | -14.9 | 179.9 | -73.3 | -170.6 | 162.5 | 163.7 | -0.7 | 114 | F1277 S1278 E1279 L1283 E1284 T1287 | F1277-R1281 HydrophobicContact CD1-CB 4.1Å; S1278-R1281 WeakPolarHBondContact O-CB 3.02Å; S1278-R1281 PolarHBondContact O-N 2.87Å; S1278-R1281 WeakPolarHBondContact OG-CG 3.31Å; E1279-R1281 PolarHBondContact O-N 3.39Å; E1279-R1281 VanDerWaalsContact O-N 3.16Å; R1281-L1283 PolarHBondContact O-N 3Å; R1281-E1284 WeakPolarHBondContact CG-OE2 3.4Å; R1281-E1284 PolarHBondContact O-N 3.2Å; R1281-T1287 PolarHBondContact O-OG1 2.97Å |
| 1282 | I | 67.8 | Low | 65.3 | Low | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -21.6 | -175.5 | -60.7 | 172.5 | 0 | 0 | 0 | 111.7 | W1175 W1184 C1187 F1277 E1279 | W1175-I1282 HydrophobicContact CZ3-CG2 4.14Å; W1184-I1282 HydrophobicContact CB-CD1 3.76Å; W1184-I1282 VanDerWaalsContact O-CD1 3.28Å; W1184-I1282 WeakPolarHBondContact O-CD1 3.33Å; C1187-I1282 HydrophobicContact CB-CG2 3.81Å; F1277-I1282 HydrophobicContact CB-CG1 4.39Å; E1279-I1282 WeakPolarHBondContact O-CB 3.19Å; E1279-I1282 PolarHBondContact O-N 3.4Å |
| 1283 | L | 69.5 | Low | 66.3 | Low | 3 Ų | 3 | 75.3 Ų | 75.3 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 12.1 | 178.3 | -68.7 | 175.3 | 0 | 0 | 0 | 114 | L1136 W1141 Y1142 W1175 C1187 R1281 N1285 L1288 | L1136-L1283 HydrophobicContact CD1-CD1 3.46Å; L1136-L1283 VanDerWaalsContact CD1-CD1 3.46Å; L1136-L1283 HydrophobicContact CD2-CD1 3.96Å; L1136-L1283 HydrophobicContact CG-CD1 4.37Å; W1141-L1283 HydrophobicContact CH2-CD2 4.31Å; W1141-L1283 HydrophobicContact CZ2-CD2 4.25Å; Y1142-L1283 HydrophobicContact CG-CD1 4.14Å; W1175-L1283 HydrophobicContact CH2-CD1 3.85Å; W1175-L1283 HydrophobicContact CH2-CD2 4.18Å; W1175-L1283 HydrophobicContact CH2-CG 4.02Å; W1175-L1283 HydrophobicContact CZ2-CD1 4.2Å; W1175-L1283 HydrophobicContact CZ2-CD2 4.28Å; C1187-L1283 HydrophobicContact CB-CD2 4.32Å; R1281-L1283 PolarHBondContact O-N 3Å; L1283-N1285 PolarHBondContact O-N 2.86Å; L1283-L1288 HydrophobicContact CD2-CD1 4.43Å; L1283-L1288 HydrophobicContact CD2-CD2 4.41Å |
| 1284 | E | 71.2 | Confident | 67.4 | Low | 91 Ų | 91 | 73.4 Ų | 73.4 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -62.8 | 133.5 | 166.2 | -76.1 | 173.6 | 167.7 | 0 | 0 | 109 | R1281 E1286 T1287 L1288 | R1281-E1284 WeakPolarHBondContact CG-OE2 3.4Å; R1281-E1284 PolarHBondContact O-N 3.2Å; E1284-E1286 PolarHBondContact O-N 3.26Å; E1284-E1286 VanDerWaalsContact O-N 3.07Å; E1284-T1287 HydrophobicContact CB-CG2 4.26Å; E1284-T1287 PolarHBondContact O-N 2.92Å; E1284-T1287 PolarHBondContact O-OG1 2.91Å; E1284-L1288 PolarHBondContact O-N 2.84Å |
| 1285 | N | 69.9 | Low | 68.5 | Low | 56 Ų | 56 | 69.5 Ų | 69.5 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.8 | -40.5 | -171.8 | -74.5 | 7.9 | 0 | 0 | 0 | 113.3 | A1221 L1283 C1289 | A1221-N1285 WeakPolarHBondContact O-CB 3.37Å; A1221-N1285 PolarHBondContact O-ND2 2.81Å; L1283-N1285 PolarHBondContact O-N 2.86Å; N1285-C1289 VanDerWaalsContact O-CB 3.25Å; N1285-C1289 WeakPolarHBondContact O-CB 3.45Å; N1285-C1289 PolarHBondContact O-N 3.48Å; N1285-C1289 PolarHBondContact O-SG 3.17Å |
| 1286 | E | 71.3 | Confident | 69.5 | Low | 142 Ų | 142 | 62.8 Ų | 62.8 | 66% | 0.664 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 178 | -64 | -174.7 | 176.1 | 0 | 0 | 112.8 | A1221 E1284 R1290 | A1221-E1286 HydrophobicContact CB-CG 3.75Å; E1284-E1286 PolarHBondContact O-N 3.26Å; E1284-E1286 VanDerWaalsContact O-N 3.07Å; E1286-R1290 VanDerWaalsContact O-CB 3.28Å; E1286-R1290 WeakPolarHBondContact O-CB 3.34Å; E1286-R1290 PolarHBondContact O-N 3.43Å |
| 1287 | T | 73.4 | Confident | 70.9 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 16% | 0.16 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.8 | -41.4 | -179.2 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | R1281 E1284 R1290 N1291 | R1281-T1287 PolarHBondContact O-OG1 2.97Å; E1284-T1287 HydrophobicContact CB-CG2 4.26Å; E1284-T1287 PolarHBondContact O-N 2.92Å; E1284-T1287 PolarHBondContact O-OG1 2.91Å; T1287-R1290 PolarHBondContact O-N 2.88Å; T1287-N1291 WeakPolarHBondContact O-CB 3.28Å; T1287-N1291 PolarHBondContact O-N 2.8Å; T1287-N1291 PolarHBondContact O-ND2 2.79Å |
| 1288 | L | 75.3 | Confident | 72 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 176.4 | -178 | 62.3 | 0 | 0 | 0 | 111.5 | W1141 C1187 L1192 V1226 L1283 E1284 S1292 | W1141-L1288 HydrophobicContact CH2-CD2 4.04Å; W1141-L1288 HydrophobicContact CZ2-CD2 3.84Å; C1187-L1288 HydrophobicContact CB-CD1 4.21Å; L1192-L1288 HydrophobicContact CD1-CD2 4.46Å; L1192-L1288 HydrophobicContact CD1-CG 4.2Å; V1226-L1288 HydrophobicContact CG1-CD2 4.07Å; V1226-L1288 HydrophobicContact CG2-CD2 4Å; L1283-L1288 HydrophobicContact CD2-CD1 4.43Å; L1283-L1288 HydrophobicContact CD2-CD2 4.41Å; E1284-L1288 PolarHBondContact O-N 2.84Å; L1288-S1292 VanDerWaalsContact O-CB 3.25Å; L1288-S1292 WeakPolarHBondContact O-CB 3.48Å; L1288-S1292 PolarHBondContact O-N 2.97Å; L1288-S1292 PolarHBondContact O-OG 3.48Å |
| 1289 | C | 75 | Confident | 72.5 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 10% | 0.101 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 172 | -74.9 | 0 | 0 | 0 | 0 | 111.5 | N1285 N1291 S1292 F1293 | N1285-C1289 VanDerWaalsContact O-CB 3.25Å; N1285-C1289 WeakPolarHBondContact O-CB 3.45Å; N1285-C1289 PolarHBondContact O-N 3.48Å; N1285-C1289 PolarHBondContact O-SG 3.17Å; C1289-N1291 VanDerWaalsContact C-N 3.33Å; C1289-N1291 PolarHBondContact O-N 3.34Å; C1289-S1292 PolarHBondContact O-N 3.47Å; C1289-S1292 VanDerWaalsContact O-N 3.13Å; C1289-F1293 WeakPolarHBondContact O-CD2 3.44Å; C1289-F1293 WeakPolarHBondContact O-CE2 3.44Å; C1289-F1293 PolarHBondContact O-N 2.96Å |
| 1290 | R | 73.4 | Confident | 72.7 | Confident | 173 Ų | 173 | 52.5 Ų | 52.5 | 65% | 0.653 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.6 | -42.4 | -179.4 | -174.1 | 176.4 | -178.7 | 177.3 | 0.9 | 112.6 | E1286 T1287 | E1286-R1290 VanDerWaalsContact O-CB 3.28Å; E1286-R1290 WeakPolarHBondContact O-CB 3.34Å; E1286-R1290 PolarHBondContact O-N 3.43Å; T1287-R1290 PolarHBondContact O-N 2.88Å |
| 1291 | N | 77.2 | Confident | 72.6 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.6 | -33.2 | 177.6 | -69.1 | -25.5 | 0 | 0 | 0 | 112.3 | C1187 I1188 T1287 C1289 F1293 | C1187-N1291 WeakPolarHBondContact O-CB 3.17Å; I1188-N1291 HydrophobicContact CG1-CB 4.47Å; T1287-N1291 WeakPolarHBondContact O-CB 3.28Å; T1287-N1291 PolarHBondContact O-N 2.8Å; T1287-N1291 PolarHBondContact O-ND2 2.79Å; C1289-N1291 VanDerWaalsContact C-N 3.33Å; C1289-N1291 PolarHBondContact O-N 3.34Å; N1291-F1293 VanDerWaalsContact C-N 3.27Å; N1291-F1293 PolarHBondContact O-N 3.19Å |
| 1292 | S | 81.6 | Confident | 72 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.3 | -6.9 | -175.9 | -58.9 | 0 | 0 | 0 | 0 | 114.6 | S1189 S1193 W1268 L1288 C1289 P1294 | S1189-S1292 PolarHBondContact N-OG 3.01Å; S1193-S1292 WeakPolarHBondContact CB-O 3.4Å; S1193-S1292 PolarHBondContact OG-O 3Å; W1268-S1292 PolarHBondContact NE1-O 3.49Å; L1288-S1292 VanDerWaalsContact O-CB 3.25Å; L1288-S1292 WeakPolarHBondContact O-CB 3.48Å; L1288-S1292 PolarHBondContact O-N 2.97Å; L1288-S1292 PolarHBondContact O-OG 3.48Å; C1289-S1292 PolarHBondContact O-N 3.47Å; C1289-S1292 VanDerWaalsContact O-N 3.13Å; S1292-P1294 VanDerWaalsContact O-CD 3.29Å; S1292-P1294 WeakPolarHBondContact O-CD 3.38Å |
| 1293 | F | 78.9 | Confident | 71.7 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | trans | -74.6 | 115.8 | 178.2 | -65.2 | -50.1 | 0 | 0 | 0 | 112.5 | F1196 F1219 W1268 C1289 N1291 | F1196-F1293 HydrophobicContact CB-CD1 4.16Å; F1196-F1293 HydrophobicContact CB-CE1 4.39Å; F1196-F1293 HydrophobicContact CD1-CD1 4.13Å; F1196-F1293 AromaticContact CD2-CD1 3.47Å; F1196-F1293 HydrophobicContact CD2-CD1 3.47Å; F1196-F1293 VanDerWaalsContact CD2-CD1 3.47Å; F1196-F1293 AromaticContact CD2-CE1 3.48Å; F1196-F1293 HydrophobicContact CD2-CE1 3.48Å; F1196-F1293 VanDerWaalsContact CD2-CE1 3.48Å; F1196-F1293 HydrophobicContact CE1-CD1 4.4Å; F1196-F1293 AromaticContact CE2-CD1 3.78Å; F1196-F1293 HydrophobicContact CE2-CD1 3.78Å; F1196-F1293 AromaticContact CE2-CE1 3.9Å; F1196-F1293 HydrophobicContact CE2-CE1 3.9Å; F1196-F1293 AromaticContact CG-CD1 3.65Å; F1196-F1293 HydrophobicContact CG-CD1 3.65Å; F1196-F1293 HydrophobicContact CG-CE1 4.03Å; F1196-F1293 HydrophobicContact CZ-CD1 4.24Å; F1219-F1293 HydrophobicContact CD2-CE1 4.07Å; F1219-F1293 HydrophobicContact CD2-CZ 4.29Å; F1219-F1293 HydrophobicContact CE2-CE1 4.08Å; W1268-F1293 VanDerWaalsContact CD1-C 3.49Å; C1289-F1293 WeakPolarHBondContact O-CD2 3.44Å; C1289-F1293 WeakPolarHBondContact O-CE2 3.44Å; C1289-F1293 PolarHBondContact O-N 2.96Å; N1291-F1293 VanDerWaalsContact C-N 3.27Å; N1291-F1293 PolarHBondContact O-N 3.19Å | ||
| 1294 | P | 79.4 | Confident | 71.5 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | trans | -67.9 | 140 | 172.6 | 29.6 | -35.2 | 0 | 0 | 0 | 111.2 | F1196 V1197 L1266 I1267 S1292 | F1196-P1294 HydrophobicContact CD1-CG 4.11Å; F1196-P1294 HydrophobicContact CE1-CG 4.48Å; V1197-P1294 HydrophobicContact CG2-CG 3.67Å; L1266-P1294 HydrophobicContact CB-CB 4.13Å; L1266-P1294 HydrophobicContact CD1-CB 4.39Å; L1266-P1294 HydrophobicContact CD1-CG 4.28Å; L1266-P1294 HydrophobicContact CD2-CB 4.32Å; L1266-P1294 HydrophobicContact CD2-CG 4.35Å; I1267-P1294 CarbonylContact O-C 3.59Å; S1292-P1294 VanDerWaalsContact O-CD 3.29Å; S1292-P1294 WeakPolarHBondContact O-CD 3.38Å | ||
| 1295 | R | 75.9 | Confident | 71.7 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -87.7 | -24.1 | 177.4 | -161.2 | 162.4 | -178.2 | 119.2 | -0.5 | 112.3 | E1212 I1267 C1269 | E1212-R1295 IonicContact OE1-CZ 3.91Å; E1212-R1295 IonicContact OE1-NH1 3.98Å; E1212-R1295 PolarHBondContact OE1-NH1 3.49Å; E1212-R1295 IonicContact OE1-NH2 2.98Å; I1267-R1295 PolarHBondContact O-N 3.16Å; C1269-R1295 HydrophobicContact CB-CB 4.46Å |
| 1296 | L | 76.4 | Confident | 72.3 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 145.9 | 172 | -89.3 | 142.6 | 0 | 0 | 0 | 110.5 | I1267 V1334 | I1267-L1296 HydrophobicContact CB-CB 4.04Å; I1267-L1296 HydrophobicContact CD1-CB 4.13Å; I1267-L1296 HydrophobicContact CG1-CB 4.47Å; I1267-L1296 PolarHBondContact N-O 2.82Å; I1267-L1296 PolarHBondContact O-N 2.96Å; I1267-L1296 VanDerWaalsContact O-N 3.15Å; L1296-V1334 VanDerWaalsContact CD1-O 3.29Å; L1296-V1334 WeakPolarHBondContact CD1-O 3.27Å |
| 1297 | H | 80 | Confident | 72.6 | Confident | 47 Ų | 47 | 42.3 Ų | 42.3 | 22% | 0.218 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.6 | 174.7 | 160.5 | -125.7 | 0 | 0 | 0 | 108.9 | L1266 | L1266-H1297 HydrophobicContact CD2-CB 3.83Å |
| 1298 | L | 77.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118 | -178.1 | -50.3 | -179.8 | 0 | 0 | 0 | 110.1 | V1265 I1267 L1320 W1332 | V1265-L1298 HydrophobicContact CB-CB 4.18Å; V1265-L1298 HydrophobicContact CB-CD1 4.43Å; V1265-L1298 HydrophobicContact CG1-CD1 4.1Å; V1265-L1298 PolarHBondContact N-O 3.04Å; V1265-L1298 PolarHBondContact O-N 2.84Å; I1267-L1298 HydrophobicContact CD1-CD1 4Å; I1267-L1298 HydrophobicContact CD1-CG 4.28Å; L1298-L1320 HydrophobicContact CD1-CD2 3.62Å; L1298-W1332 HydrophobicContact CB-CD2 4.38Å; L1298-W1332 HydrophobicContact CB-CG 4.41Å; L1298-W1332 HydrophobicContact CB-CZ2 4.44Å; L1298-W1332 HydrophobicContact CD1-CB 4.07Å; L1298-W1332 HydrophobicContact CD1-CD2 3.98Å; L1298-W1332 HydrophobicContact CD1-CE3 4.26Å; L1298-W1332 HydrophobicContact CD1-CG 3.93Å; L1298-W1332 HydrophobicContact CD2-CG 4.48Å |
| 1299 | L | 66.1 | Low | 73.3 | Confident | 118 Ų | 118 | 42.6 Ų | 42.6 | 62% | 0.618 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.5 | 178.2 | -76.2 | 161.9 | 0 | 0 | 0 | 111.1 | W1332 | L1299-W1332 PolarHBondContact O-NE1 2.99Å |
| 1300 | C | 64.1 | Low | 73.7 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 14% | 0.142 | 23% | 0.23 | C | C | . | . | trans | -81.5 | 128.9 | 162.1 | -60.2 | 0 | 0 | 0 | 0 | 109.6 | T1263 C1302 L1330 | T1263-C1300 VanDerWaalsContact O-CB 3.24Å; T1263-C1300 WeakPolarHBondContact O-CB 3.31Å; T1263-C1300 PolarHBondContact O-SG 2.54Å; C1300-C1302 PolarHBondContact O-N 2.79Å; C1300-L1330 HydrophobicContact CB-CD1 3.87Å | ||
| 1301 | S | 56.9 | Low | 74.2 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -70.3 | -12.2 | 170.9 | 36.4 | 0 | 0 | 0 | 0 | 113.5 | K1339 E1342 | S1301-K1339 PolarHBondContact OG-NZ 2.72Å; S1301-E1342 PolarHBondContact OG-OE2 3.33Å |
| 1302 | C | 51.8 | Low | 74.1 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 10% | 0.095 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -110.3 | 133.9 | -175.2 | -59 | 0 | 0 | 0 | 0 | 109.7 | C1300 S1304 R1328 E1342 | C1300-C1302 PolarHBondContact O-N 2.79Å; C1302-S1304 VanDerWaalsContact CB-OG 3.27Å; C1302-S1304 WeakPolarHBondContact CB-OG 3.38Å; C1302-S1304 PolarHBondContact O-N 3.07Å; C1302-R1328 VanDerWaalsContact SG-CD 3.57Å; C1302-E1342 PolarHBondContact SG-OE1 3.35Å; C1302-E1342 VanDerWaalsContact SG-OE1 3.32Å |
| 1303 | A | 59.9 | Low | 73.6 | Confident | 109 Ų | 109 | 39.7 Ų | 39.7 | 90% | 0.901 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -75.2 | 43.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1304 | S | 67.2 | Low | 72.9 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -132.9 | 133.8 | -175.7 | 59.8 | 0 | 0 | 0 | 0 | 109.1 | C1302 T1324 S1326 | C1302-S1304 VanDerWaalsContact CB-OG 3.27Å; C1302-S1304 WeakPolarHBondContact CB-OG 3.38Å; C1302-S1304 PolarHBondContact O-N 3.07Å; S1304-T1324 WeakPolarHBondContact OG-CB 3.42Å; S1304-S1326 WeakPolarHBondContact CB-OG 3.1Å; S1304-S1326 WeakPolarHBondContact OG-CB 3.49Å; S1304-S1326 PolarHBondContact OG-OG 3.47Å |
| 1305 | T | 75.2 | Confident | 71.9 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 30% | 0.301 | 24% | 0.237 | S | C | . | . | trans | -61 | 151.3 | -177.3 | 54 | 0 | 0 | 0 | 0 | 112.9 | S1262 T1324 A1325 | S1262-T1305 VanDerWaalsContact O-CA 3.24Å; S1262-T1305 WeakPolarHBondContact O-CA 3.44Å; T1305-T1324 CarbonylContact O-C 3.15Å; T1305-T1324 VanDerWaalsContact O-CA 3.24Å; T1305-T1324 WeakPolarHBondContact O-CA 3.19Å; T1305-A1325 PolarHBondContact O-N 3.03Å | ||
| 1306 | V | 81.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.2 | 169.6 | -172.5 | 0 | 0 | 0 | 0 | 108 | S1233 C1234 S1260 V1265 M1309 G1323 W1332 | S1233-V1306 WeakPolarHBondContact CB-O 3.27Å; S1233-V1306 PolarHBondContact OG-O 3.01Å; C1234-V1306 PolarHBondContact SG-O 3.07Å; C1234-V1306 VanDerWaalsContact SG-O 3.35Å; S1260-V1306 WeakPolarHBondContact OG-CB 3.47Å; V1265-V1306 HydrophobicContact CG2-CB 4.43Å; V1265-V1306 HydrophobicContact CG2-CG2 4.01Å; V1306-M1309 HydrophobicContact CG1-CG 3.93Å; V1306-G1323 CarbonylContact C-O 3.47Å; V1306-G1323 WeakPolarHBondContact CA-O 3.31Å; V1306-G1323 WeakPolarHBondContact CG1-O 3.42Å; V1306-W1332 HydrophobicContact CG2-CH2 4.5Å |
| 1307 | L | 78.3 | Confident | 70.8 | Confident | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -19.5 | -172.6 | -58.4 | 178.9 | 0 | 0 | 0 | 113 | G1323 A1325 W1349 | L1307-G1323 PolarHBondContact N-O 2.97Å; L1307-A1325 HydrophobicContact CD1-CB 4.03Å; L1307-A1325 HydrophobicContact CG-CB 4.35Å; L1307-W1349 HydrophobicContact CD1-CB 3.69Å; L1307-W1349 HydrophobicContact CD1-CD2 4.17Å; L1307-W1349 HydrophobicContact CD1-CE3 3.84Å; L1307-W1349 HydrophobicContact CD1-CG 4.17Å |
| 1308 | S | 77.6 | Confident | 70.6 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 137.7 | 176.7 | 66.3 | 0 | 0 | 0 | 0 | 110.1 | G1322 G1323 | S1308-G1322 CarbonylContact O-C 3.58Å; S1308-G1322 WeakPolarHBondContact O-CA 3.39Å; S1308-G1323 PolarHBondContact O-N 3.25Å |
| 1309 | M | 85.2 | Confident | 70.8 | Confident | 21 Ų | 21 | 38 Ų | 38 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.1 | 171.7 | -74.8 | -172.4 | -62.6 | 0 | 0 | 110.7 | C1234 I1236 A1258 V1265 V1306 L1320 A1321 | C1234-M1309 WeakPolarHBondContact O-CE 3.32Å; I1236-M1309 HydrophobicContact CG2-CB 4.07Å; I1236-M1309 HydrophobicContact CG2-CE 4.18Å; A1258-M1309 HydrophobicContact CB-CE 4.46Å; V1265-M1309 HydrophobicContact CG1-CE 4.44Å; V1265-M1309 HydrophobicContact CG1-SD 3.62Å; V1265-M1309 HydrophobicContact CG2-SD 4.01Å; V1306-M1309 HydrophobicContact CG1-CG 3.93Å; M1309-L1320 HydrophobicContact CB-CD1 4.15Å; M1309-L1320 HydrophobicContact CG-CD1 4.45Å; M1309-L1320 HydrophobicContact SD-CD1 4.25Å; M1309-L1320 HydrophobicContact SD-CD2 4.27Å; M1309-A1321 CarbonylContact C-O 3.56Å; M1309-A1321 VanDerWaalsContact CA-O 3.27Å; M1309-A1321 WeakPolarHBondContact CA-O 3.43Å |
| 1310 | D | 83.9 | Confident | 71.8 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 142 | 170 | -172.5 | 57.6 | 0 | 0 | 0 | 109.6 | A1321 I1353 R1354 L1355 | D1310-A1321 PolarHBondContact N-O 2.71Å; D1310-A1321 PolarHBondContact O-N 3.31Å; D1310-I1353 HydrophobicContact CB-CG2 4.03Å; D1310-R1354 IonicContact OD1-CZ 3.3Å; D1310-R1354 IonicContact OD1-NH1 2.78Å; D1310-R1354 PolarHBondContact OD1-NH1 3.23Å; D1310-R1354 WeakPolarHBondContact OD2-CA 3.14Å; D1310-R1354 IonicContact OD2-NH1 2.98Å; D1310-L1355 WeakPolarHBondContact OD2-CB 3.31Å; D1310-L1355 PolarHBondContact OD2-N 2.93Å |
| 1311 | A | 82.4 | Confident | 72.8 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 12% | 0.116 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1236 L1238 I1319 L1320 | I1236-A1311 HydrophobicContact CD1-CB 4.11Å; L1238-A1311 HydrophobicContact CD2-CB 3.56Å; A1311-I1319 CarbonylContact C-O 3.54Å; A1311-I1319 WeakPolarHBondContact CA-O 3.32Å; A1311-L1320 HydrophobicContact CB-CD1 3.93Å |
| 1312 | R | 75.1 | Confident | 74.1 | Confident | 76 Ų | 76 | 27.9 Ų | 27.9 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 146.6 | -178.1 | -156.5 | 168.8 | -165.9 | 134.2 | 11.7 | 112.1 | I1314 I1319 L1355 | R1312-I1314 HydrophobicContact CB-CG1 4.37Å; R1312-I1314 HydrophobicContact CG-CG1 4.44Å; R1312-I1319 PolarHBondContact N-O 2.91Å; R1312-I1319 PolarHBondContact O-N 3.08Å; R1312-L1355 HydrophobicContact CB-CB 4.04Å; R1312-L1355 HydrophobicContact CB-CD1 3.96Å; R1312-L1355 PolarHBondContact NH1-O 2.98Å |
| 1313 | I | 70.8 | Confident | 75.6 | Confident | 69 Ų | 69 | 27.2 Ų | 27.2 | 35% | 0.354 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.3 | 168.2 | -55.7 | 179.7 | 0 | 0 | 0 | 108.4 | P1239 Q1317 | P1239-I1313 HydrophobicContact CB-CD1 4.05Å; P1239-I1313 HydrophobicContact CB-CG1 3.99Å; P1239-I1313 HydrophobicContact CG-CD1 4.35Å; P1239-I1313 HydrophobicContact CG-CG1 3.76Å; I1313-Q1317 WeakPolarHBondContact CA-O 3.49Å |
| 1314 | I | 65 | Low | 76.7 | Confident | 8 Ų | 8 | 22 Ų | 22 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.9 | 177.7 | -58.8 | 178.7 | 0 | 0 | 0 | 107.9 | R1312 G1316 Q1317 I1319 I1380 | R1312-I1314 HydrophobicContact CB-CG1 4.37Å; R1312-I1314 HydrophobicContact CG-CG1 4.44Å; I1314-G1316 PolarHBondContact O-N 3.19Å; I1314-Q1317 PolarHBondContact N-O 2.83Å; I1314-Q1317 PolarHBondContact O-N 3.34Å; I1314-I1319 HydrophobicContact CB-CD1 4.12Å; I1314-I1319 HydrophobicContact CD1-CD1 4.4Å; I1314-I1380 HydrophobicContact CD1-CG1 4.27Å; I1314-I1380 HydrophobicContact CD1-CG2 4.07Å |
| 1315 | E | 59.5 | Low | 77.3 | Confident | 92 Ų | 92 | 22.5 Ų | 22.5 | 43% | 0.43 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 31.9 | -170.6 | -64.4 | -158.1 | 142.9 | 0 | 0 | 115 | ||
| 1316 | G | 62.1 | Low | 77.4 | Confident | 51 Ų | 51 | 22.3 Ų | 22.3 | 53% | 0.526 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 25.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1241 I1314 | F1241-G1316 VanDerWaalsContact CE1-O 3.26Å; F1241-G1316 WeakPolarHBondContact CE1-O 3.34Å; I1314-G1316 PolarHBondContact O-N 3.19Å |
| 1317 | Q | 65.9 | Low | 76.9 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 6% | 0.061 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.2 | 171 | -55.4 | -176.5 | 37.6 | 0 | 0 | 109.5 | I1313 I1314 I1319 P1402 | I1313-Q1317 WeakPolarHBondContact CA-O 3.49Å; I1314-Q1317 PolarHBondContact N-O 2.83Å; I1314-Q1317 PolarHBondContact O-N 3.34Å; Q1317-I1319 PolarHBondContact O-N 2.52Å; Q1317-P1402 PolarHBondContact NE2-O 2.68Å |
| 1318 | C | 76.4 | Confident | 77 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 115.8 | 169.3 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | F1241 V1334 | F1241-C1318 HydrophobicContact CD2-CB 4.12Å; F1241-C1318 HydrophobicContact CE2-CB 3.48Å; F1241-C1318 VanDerWaalsContact CE2-CB 3.48Å; F1241-C1318 HydrophobicContact CZ-CB 4.23Å; C1318-V1334 HydrophobicContact CB-CB 4.14Å; C1318-V1334 HydrophobicContact CB-CG2 4.32Å; C1318-V1334 PolarHBondContact O-N 3.21Å |
| 1319 | I | 82.1 | Confident | 77.2 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.1 | 178.6 | -63.8 | -176.1 | 0 | 0 | 0 | 108 | A1311 R1312 I1314 Q1317 I1331 W1332 L1340 L1355 I1380 L1401 | A1311-I1319 CarbonylContact C-O 3.54Å; A1311-I1319 WeakPolarHBondContact CA-O 3.32Å; R1312-I1319 PolarHBondContact N-O 2.91Å; R1312-I1319 PolarHBondContact O-N 3.08Å; I1314-I1319 HydrophobicContact CB-CD1 4.12Å; I1314-I1319 HydrophobicContact CD1-CD1 4.4Å; Q1317-I1319 PolarHBondContact O-N 2.52Å; I1319-I1331 HydrophobicContact CG2-CG2 3.4Å; I1319-I1331 VanDerWaalsContact CG2-CG2 3.4Å; I1319-W1332 WeakPolarHBondContact CA-O 3.29Å; I1319-L1340 HydrophobicContact CD1-CD1 4.03Å; I1319-L1340 HydrophobicContact CG1-CD1 4.11Å; I1319-L1340 HydrophobicContact CG2-CD1 4.15Å; I1319-L1355 HydrophobicContact CG2-CD1 4.26Å; I1319-I1380 HydrophobicContact CD1-CD1 3.9Å; I1319-L1401 HydrophobicContact CD1-CD2 3.95Å |
| 1320 | L | 86.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.2 | 175.7 | 176.1 | 68 | 0 | 0 | 0 | 108.6 | I1236 L1238 V1265 L1298 M1309 A1311 I1331 W1332 V1334 | I1236-L1320 HydrophobicContact CG2-CD1 4.16Å; L1238-L1320 HydrophobicContact CD2-CD1 4.01Å; V1265-L1320 HydrophobicContact CG1-CD2 4.16Å; L1298-L1320 HydrophobicContact CD1-CD2 3.62Å; M1309-L1320 HydrophobicContact CB-CD1 4.15Å; M1309-L1320 HydrophobicContact CG-CD1 4.45Å; M1309-L1320 HydrophobicContact SD-CD1 4.25Å; M1309-L1320 HydrophobicContact SD-CD2 4.27Å; A1311-L1320 HydrophobicContact CB-CD1 3.93Å; L1320-I1331 CarbonylContact O-C 2.93Å; L1320-I1331 WeakPolarHBondContact O-CA 3.23Å; L1320-W1332 HydrophobicContact CG-CE3 4.45Å; L1320-W1332 PolarHBondContact N-O 3.46Å; L1320-W1332 PolarHBondContact O-N 3.08Å; L1320-V1334 HydrophobicContact CB-CG2 3.78Å |
| 1321 | A | 85.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | M1309 D1310 V1329 L1330 I1331 I1353 L1355 L1382 | M1309-A1321 CarbonylContact C-O 3.56Å; M1309-A1321 VanDerWaalsContact CA-O 3.27Å; M1309-A1321 WeakPolarHBondContact CA-O 3.43Å; D1310-A1321 PolarHBondContact N-O 2.71Å; D1310-A1321 PolarHBondContact O-N 3.31Å; A1321-V1329 HydrophobicContact CB-CG1 4.4Å; A1321-L1330 CarbonylContact C-O 3.41Å; A1321-L1330 WeakPolarHBondContact CA-O 3.24Å; A1321-I1331 HydrophobicContact CB-CG1 4.24Å; A1321-I1353 HydrophobicContact CB-CD1 4.4Å; A1321-I1353 HydrophobicContact CB-CG2 3.88Å; A1321-L1355 HydrophobicContact CB-CD1 4.18Å; A1321-L1355 HydrophobicContact CB-CD2 4.09Å; A1321-L1355 HydrophobicContact CB-CG 4.16Å; A1321-L1382 HydrophobicContact CB-CD1 4.26Å |
| 1322 | G | 84 | Confident | 77.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1308 V1329 L1330 I1353 | S1308-G1322 CarbonylContact O-C 3.58Å; S1308-G1322 WeakPolarHBondContact O-CA 3.39Å; G1322-V1329 WeakPolarHBondContact O-CA 3.34Å; G1322-L1330 PolarHBondContact N-O 2.8Å; G1322-L1330 PolarHBondContact O-N 3.41Å; G1322-I1353 VanDerWaalsContact C-CD1 3.42Å |
| 1323 | G | 83.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1306 L1307 S1308 I1353 | V1306-G1323 CarbonylContact C-O 3.47Å; V1306-G1323 WeakPolarHBondContact CA-O 3.31Å; V1306-G1323 WeakPolarHBondContact CG1-O 3.42Å; L1307-G1323 PolarHBondContact N-O 2.97Å; S1308-G1323 PolarHBondContact O-N 3.25Å; G1323-I1353 VanDerWaalsContact CA-CD1 3.45Å |
| 1324 | T | 83.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 157.7 | -170.5 | 70.8 | 0 | 0 | 0 | 0 | 114 | S1304 T1305 S1326 G1327 R1328 L1330 V1350 | S1304-T1324 WeakPolarHBondContact OG-CB 3.42Å; T1305-T1324 CarbonylContact O-C 3.15Å; T1305-T1324 VanDerWaalsContact O-CA 3.24Å; T1305-T1324 WeakPolarHBondContact O-CA 3.19Å; T1324-S1326 PolarHBondContact O-N 3.23Å; T1324-S1326 VanDerWaalsContact O-N 3.09Å; T1324-S1326 PolarHBondContact OG1-N 3.3Å; T1324-S1326 VanDerWaalsContact OG1-N 3.11Å; T1324-S1326 PolarHBondContact OG1-OG 2.81Å; T1324-G1327 PolarHBondContact O-N 3.41Å; T1324-G1327 PolarHBondContact OG1-N 2.87Å; T1324-R1328 HydrophobicContact CG2-CB 4.46Å; T1324-R1328 PolarHBondContact N-O 2.83Å; T1324-R1328 PolarHBondContact OG1-N 2.97Å; T1324-R1328 PolarHBondContact OG1-O 3.04Å; T1324-L1330 HydrophobicContact CG2-CD1 3.76Å; T1324-L1330 HydrophobicContact CG2-CG 4.14Å; T1324-V1350 PolarHBondContact O-N 3.34Å |
| 1325 | A | 79.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 23.1 Ų | 23.1 | 22% | 0.223 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1305 L1307 W1349 | T1305-A1325 PolarHBondContact O-N 3.03Å; L1307-A1325 HydrophobicContact CD1-CB 4.03Å; L1307-A1325 HydrophobicContact CG-CB 4.35Å; A1325-W1349 HydrophobicContact CB-CG 4.3Å |
| 1326 | S | 75.9 | Confident | 78.2 | Confident | 44 Ų | 44 | 22.4 Ų | 22.4 | 31% | 0.308 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 12.1 | 171.6 | 54 | 0 | 0 | 0 | 0 | 113.6 | S1304 T1324 R1328 | S1304-S1326 WeakPolarHBondContact CB-OG 3.1Å; S1304-S1326 WeakPolarHBondContact OG-CB 3.49Å; S1304-S1326 PolarHBondContact OG-OG 3.47Å; T1324-S1326 PolarHBondContact O-N 3.23Å; T1324-S1326 VanDerWaalsContact O-N 3.09Å; T1324-S1326 PolarHBondContact OG1-N 3.3Å; T1324-S1326 VanDerWaalsContact OG1-N 3.11Å; T1324-S1326 PolarHBondContact OG1-OG 2.81Å; S1326-R1328 PolarHBondContact O-N 3.12Å |
| 1327 | G | 71.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 71.7 | 13.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1324 V1345 H1346 S1348 | T1324-G1327 PolarHBondContact O-N 3.41Å; T1324-G1327 PolarHBondContact OG1-N 2.87Å; G1327-V1345 PolarHBondContact O-N 3.46Å; G1327-H1346 CarbonylContact C-O 3.6Å; G1327-H1346 VanDerWaalsContact CA-O 3.31Å; G1327-H1346 WeakPolarHBondContact CA-O 3.37Å; G1327-H1346 PolarHBondContact O-N 3.19Å; G1327-H1346 VanDerWaalsContact O-O 3.12Å; G1327-S1348 WeakPolarHBondContact CA-O 3.45Å |
| 1328 | R | 80.5 | Confident | 78.6 | Confident | 63 Ų | 63 | 22.7 Ų | 22.7 | 24% | 0.238 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 154.9 | -179.8 | -57.5 | -177.6 | -174.9 | -166.1 | 0.3 | 110.9 | N898 C1302 T1324 S1326 E1342 L1343 V1350 | N898-R1328 PolarHBondContact ND2-NH2 2.83Å; C1302-R1328 VanDerWaalsContact SG-CD 3.57Å; T1324-R1328 HydrophobicContact CG2-CB 4.46Å; T1324-R1328 PolarHBondContact N-O 2.83Å; T1324-R1328 PolarHBondContact OG1-N 2.97Å; T1324-R1328 PolarHBondContact OG1-O 3.04Å; S1326-R1328 PolarHBondContact O-N 3.12Å; R1328-E1342 WeakPolarHBondContact CD-OE1 3.34Å; R1328-E1342 IonicContact CZ-OE1 3.43Å; R1328-E1342 IonicContact NE-OE1 2.66Å; R1328-E1342 IonicContact NH1-OE1 2.76Å; R1328-E1342 PolarHBondContact NH1-OE1 3.12Å; R1328-L1343 CarbonylContact C-O 3.51Å; R1328-L1343 WeakPolarHBondContact CA-O 3.37Å; R1328-L1343 WeakPolarHBondContact CB-O 3.45Å; R1328-V1350 WeakPolarHBondContact O-CG2 3.29Å |
| 1329 | V | 82.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.1 | 165.9 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | A1321 G1322 I1331 E1342 L1343 V1345 V1350 I1353 L1382 T1384 | A1321-V1329 HydrophobicContact CB-CG1 4.4Å; G1322-V1329 WeakPolarHBondContact O-CA 3.34Å; V1329-I1331 HydrophobicContact CG1-CG1 3.95Å; V1329-E1342 CarbonylContact O-C 3.59Å; V1329-E1342 WeakPolarHBondContact O-CA 3.47Å; V1329-L1343 HydrophobicContact CB-CB 4.46Å; V1329-L1343 PolarHBondContact N-O 3.03Å; V1329-L1343 PolarHBondContact O-N 3.4Å; V1329-V1345 HydrophobicContact CB-CG2 4.12Å; V1329-V1345 HydrophobicContact CG2-CB 4.13Å; V1329-V1345 HydrophobicContact CG2-CG1 4.35Å; V1329-V1345 HydrophobicContact CG2-CG2 3.76Å; V1329-V1350 HydrophobicContact CG2-CG1 4.39Å; V1329-V1350 HydrophobicContact CG2-CG2 4.33Å; V1329-I1353 HydrophobicContact CB-CD1 4.13Å; V1329-I1353 HydrophobicContact CG1-CD1 3.53Å; V1329-I1353 HydrophobicContact CG2-CD1 3.63Å; V1329-I1353 HydrophobicContact CG2-CG1 4.24Å; V1329-L1382 HydrophobicContact CB-CD2 4.24Å; V1329-L1382 HydrophobicContact CG1-CD1 4.29Å; V1329-L1382 HydrophobicContact CG1-CD2 3.9Å; V1329-L1382 HydrophobicContact CG2-CD2 4.34Å; V1329-T1384 HydrophobicContact CG2-CG2 3.84Å |
| 1330 | L | 85.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.4 | 172.4 | -59.8 | 167.7 | 0 | 0 | 0 | 107.3 | C1300 A1321 G1322 T1324 W1332 K1339 E1342 | C1300-L1330 HydrophobicContact CB-CD1 3.87Å; A1321-L1330 CarbonylContact C-O 3.41Å; A1321-L1330 WeakPolarHBondContact CA-O 3.24Å; G1322-L1330 PolarHBondContact N-O 2.8Å; G1322-L1330 PolarHBondContact O-N 3.41Å; T1324-L1330 HydrophobicContact CG2-CD1 3.76Å; T1324-L1330 HydrophobicContact CG2-CG 4.14Å; L1330-W1332 HydrophobicContact CB-CE3 4.3Å; L1330-W1332 HydrophobicContact CB-CH2 3.45Å; L1330-W1332 VanDerWaalsContact CB-CH2 3.45Å; L1330-W1332 HydrophobicContact CB-CZ2 3.65Å; L1330-W1332 HydrophobicContact CB-CZ3 3.8Å; L1330-W1332 HydrophobicContact CD1-CH2 3.76Å; L1330-W1332 HydrophobicContact CD1-CZ2 3.76Å; L1330-W1332 HydrophobicContact CG-CH2 4.25Å; L1330-W1332 HydrophobicContact CG-CZ2 4.3Å; L1330-K1339 HydrophobicContact CD2-CD 3.76Å; L1330-E1342 HydrophobicContact CD2-CB 4.04Å; L1330-E1342 HydrophobicContact CD2-CG 3.72Å |
| 1331 | I | 85.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.1 | 177.2 | -50.1 | -176.3 | 0 | 0 | 0 | 107.8 | I1319 L1320 A1321 V1329 K1339 L1340 V1341 | I1319-I1331 HydrophobicContact CG2-CG2 3.4Å; I1319-I1331 VanDerWaalsContact CG2-CG2 3.4Å; L1320-I1331 CarbonylContact O-C 2.93Å; L1320-I1331 WeakPolarHBondContact O-CA 3.23Å; A1321-I1331 HydrophobicContact CB-CG1 4.24Å; V1329-I1331 HydrophobicContact CG1-CG1 3.95Å; I1331-K1339 CarbonylContact O-C 3.58Å; I1331-K1339 WeakPolarHBondContact O-CA 3.42Å; I1331-K1339 WeakPolarHBondContact O-CG 3.47Å; I1331-L1340 HydrophobicContact CB-CB 4.44Å; I1331-L1340 HydrophobicContact CG2-CB 4.35Å; I1331-L1340 HydrophobicContact CG2-CD1 4.09Å; I1331-L1340 WeakPolarHBondContact O-CA 3.43Å; I1331-L1340 WeakPolarHBondContact O-CB 3.25Å; I1331-L1340 PolarHBondContact O-N 2.99Å; I1331-V1341 HydrophobicContact CB-CB 4.31Å; I1331-V1341 HydrophobicContact CD1-CB 4.26Å; I1331-V1341 HydrophobicContact CG1-CB 4.39Å; I1331-V1341 PolarHBondContact N-O 3.28Å; I1331-V1341 PolarHBondContact O-N 3.33Å |
| 1332 | W | 84.5 | Confident | 76.9 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 150.4 | 179.5 | -58.2 | -96.1 | 0 | 0 | 0 | 111.7 | V1265 L1298 L1299 V1306 I1319 L1320 L1330 C1338 K1339 | V1265-W1332 HydrophobicContact CG2-CH2 4.27Å; L1298-W1332 HydrophobicContact CB-CD2 4.38Å; L1298-W1332 HydrophobicContact CB-CG 4.41Å; L1298-W1332 HydrophobicContact CB-CZ2 4.44Å; L1298-W1332 HydrophobicContact CD1-CB 4.07Å; L1298-W1332 HydrophobicContact CD1-CD2 3.98Å; L1298-W1332 HydrophobicContact CD1-CE3 4.26Å; L1298-W1332 HydrophobicContact CD1-CG 3.93Å; L1298-W1332 HydrophobicContact CD2-CG 4.48Å; L1299-W1332 PolarHBondContact O-NE1 2.99Å; V1306-W1332 HydrophobicContact CG2-CH2 4.5Å; I1319-W1332 WeakPolarHBondContact CA-O 3.29Å; L1320-W1332 HydrophobicContact CG-CE3 4.45Å; L1320-W1332 PolarHBondContact N-O 3.46Å; L1320-W1332 PolarHBondContact O-N 3.08Å; L1330-W1332 HydrophobicContact CB-CE3 4.3Å; L1330-W1332 HydrophobicContact CB-CH2 3.45Å; L1330-W1332 VanDerWaalsContact CB-CH2 3.45Å; L1330-W1332 HydrophobicContact CB-CZ2 3.65Å; L1330-W1332 HydrophobicContact CB-CZ3 3.8Å; L1330-W1332 HydrophobicContact CD1-CH2 3.76Å; L1330-W1332 HydrophobicContact CD1-CZ2 3.76Å; L1330-W1332 HydrophobicContact CG-CH2 4.25Å; L1330-W1332 HydrophobicContact CG-CZ2 4.3Å; W1332-C1338 CarbonylContact C-O 3Å; W1332-C1338 VanDerWaalsContact CA-O 3.29Å; W1332-C1338 WeakPolarHBondContact CA-O 3.14Å; W1332-K1339 HydrophobicContact CG-CB 4.45Å |
| 1333 | R | 78 | Confident | 76.4 | Confident | 13 Ų | 13 | 33 Ų | 33 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.2 | 163.1 | 176.5 | 155.5 | 75.8 | -162.9 | 5.3 | 108.9 | R1335 D1336 G1337 C1338 L1340 P1402 | R1333-R1335 VanDerWaalsContact C-N 3.31Å; R1333-R1335 HydrophobicContact CG-CB 4.21Å; R1333-R1335 PolarHBondContact O-N 2.79Å; R1333-D1336 IonicContact CZ-OD2 2.72Å; R1333-D1336 IonicContact NE-OD2 2.73Å; R1333-D1336 PolarHBondContact NE-OD2 3.39Å; R1333-D1336 IonicContact NH2-OD2 3.14Å; R1333-D1336 PolarHBondContact NH2-OD2 3.02Å; R1333-D1336 PolarHBondContact O-N 2.97Å; R1333-G1337 WeakPolarHBondContact O-CA 3.37Å; R1333-G1337 PolarHBondContact O-N 3.16Å; R1333-C1338 PolarHBondContact N-O 3.05Å; R1333-L1340 HydrophobicContact CB-CD1 4.12Å; R1333-L1340 HydrophobicContact CB-CD2 4.02Å; R1333-L1340 HydrophobicContact CB-CG 4.14Å; R1333-P1402 PolarHBondContact NH1-O 2.91Å |
| 1334 | V | 76.3 | Confident | 75.8 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -56.8 | -45.3 | -175.8 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | L1238 I1267 L1296 C1318 L1320 D1336 G1337 | L1238-V1334 HydrophobicContact CD1-CG1 3.83Å; L1238-V1334 HydrophobicContact CD1-CG2 4.15Å; I1267-V1334 HydrophobicContact CD1-CG1 4.23Å; L1296-V1334 VanDerWaalsContact CD1-O 3.29Å; L1296-V1334 WeakPolarHBondContact CD1-O 3.27Å; C1318-V1334 HydrophobicContact CB-CB 4.14Å; C1318-V1334 HydrophobicContact CB-CG2 4.32Å; C1318-V1334 PolarHBondContact O-N 3.21Å; L1320-V1334 HydrophobicContact CB-CG2 3.78Å; V1334-D1336 VanDerWaalsContact C-N 3.27Å; V1334-D1336 PolarHBondContact O-N 2.84Å; V1334-D1336 VanDerWaalsContact O-N 3.14Å; V1334-G1337 PolarHBondContact O-N 2.82Å |
| 1335 | R | 68.2 | Low | 74.9 | Confident | 166 Ų | 166 | 36.9 Ų | 36.9 | 63% | 0.626 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -52.1 | -39.3 | -174.8 | -172.3 | -171.6 | 171.3 | 159.2 | -0.6 | 114.4 | R1333 | R1333-R1335 VanDerWaalsContact C-N 3.31Å; R1333-R1335 HydrophobicContact CG-CB 4.21Å; R1333-R1335 PolarHBondContact O-N 2.79Å |
| 1336 | D | 65.9 | Low | 74.3 | Confident | 77 Ų | 77 | 36.2 Ų | 36.2 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -119.5 | 3.1 | -171.8 | -35.4 | -29.8 | 0 | 0 | 0 | 112.3 | R1333 V1334 C1338 | R1333-D1336 IonicContact CZ-OD2 2.72Å; R1333-D1336 IonicContact NE-OD2 2.73Å; R1333-D1336 PolarHBondContact NE-OD2 3.39Å; R1333-D1336 IonicContact NH2-OD2 3.14Å; R1333-D1336 PolarHBondContact NH2-OD2 3.02Å; R1333-D1336 PolarHBondContact O-N 2.97Å; V1334-D1336 VanDerWaalsContact C-N 3.27Å; V1334-D1336 PolarHBondContact O-N 2.84Å; V1334-D1336 VanDerWaalsContact O-N 3.14Å; D1336-C1338 HydrophobicContact CB-CB 4.37Å; D1336-C1338 PolarHBondContact O-N 2.85Å |
| 1337 | G | 67.2 | Low | 73.1 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | trans | 62 | 1.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | R1333 V1334 K1339 | R1333-G1337 WeakPolarHBondContact O-CA 3.37Å; R1333-G1337 PolarHBondContact O-N 3.16Å; V1334-G1337 PolarHBondContact O-N 2.82Å; G1337-K1339 PolarHBondContact O-N 3.15Å | ||
| 1338 | C | 68.4 | Low | 72.7 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 37% | 0.365 | 21% | 0.21 | S | C | . | . | trans | -69.1 | 125.4 | -171.3 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | W1332 R1333 D1336 L1340 | W1332-C1338 CarbonylContact C-O 3Å; W1332-C1338 VanDerWaalsContact CA-O 3.29Å; W1332-C1338 WeakPolarHBondContact CA-O 3.14Å; R1333-C1338 PolarHBondContact N-O 3.05Å; D1336-C1338 HydrophobicContact CB-CB 4.37Å; D1336-C1338 PolarHBondContact O-N 2.85Å; C1338-L1340 PolarHBondContact O-N 2.62Å | ||
| 1339 | K | 73.1 | Confident | 72.3 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 110 | 172.1 | -169.8 | -175.8 | 63.4 | 174.3 | 0 | 110 | S1301 L1330 I1331 W1332 G1337 E1342 | S1301-K1339 PolarHBondContact OG-NZ 2.72Å; L1330-K1339 HydrophobicContact CD2-CD 3.76Å; I1331-K1339 CarbonylContact O-C 3.58Å; I1331-K1339 WeakPolarHBondContact O-CA 3.42Å; I1331-K1339 WeakPolarHBondContact O-CG 3.47Å; W1332-K1339 HydrophobicContact CG-CB 4.45Å; G1337-K1339 PolarHBondContact O-N 3.15Å; K1339-E1342 HydrophobicContact CD-CB 4.47Å; K1339-E1342 IonicContact NZ-OE2 3.71Å; K1339-E1342 PolarHBondContact NZ-OE2 3.36Å |
| 1340 | L | 71.4 | Confident | 71.7 | Confident | 26 Ų | 26 | 41.2 Ų | 41.2 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -51.6 | 179.7 | -60.5 | 176.1 | 0 | 0 | 0 | 112.1 | I1319 I1331 R1333 C1338 L1401 P1402 | I1319-L1340 HydrophobicContact CD1-CD1 4.03Å; I1319-L1340 HydrophobicContact CG1-CD1 4.11Å; I1319-L1340 HydrophobicContact CG2-CD1 4.15Å; I1331-L1340 HydrophobicContact CB-CB 4.44Å; I1331-L1340 HydrophobicContact CG2-CB 4.35Å; I1331-L1340 HydrophobicContact CG2-CD1 4.09Å; I1331-L1340 WeakPolarHBondContact O-CA 3.43Å; I1331-L1340 WeakPolarHBondContact O-CB 3.25Å; I1331-L1340 PolarHBondContact O-N 2.99Å; R1333-L1340 HydrophobicContact CB-CD1 4.12Å; R1333-L1340 HydrophobicContact CB-CD2 4.02Å; R1333-L1340 HydrophobicContact CB-CG 4.14Å; C1338-L1340 PolarHBondContact O-N 2.62Å; L1340-L1401 HydrophobicContact CD1-CD2 3.95Å; L1340-L1401 HydrophobicContact CD2-CD2 4.47Å; L1340-P1402 HydrophobicContact CD2-CG 3.74Å |
| 1341 | V | 72.9 | Confident | 70.8 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.8 | -172.5 | -163.8 | 0 | 0 | 0 | 0 | 110.3 | I1331 L1343 V1396 C1400 | I1331-V1341 HydrophobicContact CB-CB 4.31Å; I1331-V1341 HydrophobicContact CD1-CB 4.26Å; I1331-V1341 HydrophobicContact CG1-CB 4.39Å; I1331-V1341 PolarHBondContact N-O 3.28Å; I1331-V1341 PolarHBondContact O-N 3.33Å; V1341-L1343 HydrophobicContact CG1-CD2 3.62Å; V1341-L1343 HydrophobicContact CG1-CG 3.78Å; V1341-V1396 HydrophobicContact CG2-CG1 4.3Å; V1341-C1400 HydrophobicContact CG2-CB 4.06Å |
| 1342 | E | 78 | Confident | 69.8 | Low | 64 Ų | 64 | 42.5 Ų | 42.5 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118 | 163.6 | 177.2 | 174.2 | 164.6 | 0 | 0 | 108.2 | S1301 C1302 R1328 V1329 L1330 K1339 | S1301-E1342 PolarHBondContact OG-OE2 3.33Å; C1302-E1342 PolarHBondContact SG-OE1 3.35Å; C1302-E1342 VanDerWaalsContact SG-OE1 3.32Å; R1328-E1342 WeakPolarHBondContact CD-OE1 3.34Å; R1328-E1342 IonicContact CZ-OE1 3.43Å; R1328-E1342 IonicContact NE-OE1 2.66Å; R1328-E1342 IonicContact NH1-OE1 2.76Å; R1328-E1342 PolarHBondContact NH1-OE1 3.12Å; V1329-E1342 CarbonylContact O-C 3.59Å; V1329-E1342 WeakPolarHBondContact O-CA 3.47Å; L1330-E1342 HydrophobicContact CD2-CB 4.04Å; L1330-E1342 HydrophobicContact CD2-CG 3.72Å; K1339-E1342 HydrophobicContact CD-CB 4.47Å; K1339-E1342 IonicContact NZ-OE2 3.71Å; K1339-E1342 PolarHBondContact NZ-OE2 3.36Å |
| 1343 | L | 72.6 | Confident | 69.3 | Low | 35 Ų | 35 | 43.1 Ų | 43.1 | 18% | 0.183 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128 | -178.2 | -60.9 | 174 | 0 | 0 | 0 | 109.8 | R1328 V1329 V1341 V1345 L1382 V1396 | R1328-L1343 CarbonylContact C-O 3.51Å; R1328-L1343 WeakPolarHBondContact CA-O 3.37Å; R1328-L1343 WeakPolarHBondContact CB-O 3.45Å; V1329-L1343 HydrophobicContact CB-CB 4.46Å; V1329-L1343 PolarHBondContact N-O 3.03Å; V1329-L1343 PolarHBondContact O-N 3.4Å; V1341-L1343 HydrophobicContact CG1-CD2 3.62Å; V1341-L1343 HydrophobicContact CG1-CG 3.78Å; L1343-V1345 HydrophobicContact CB-CG2 3.56Å; L1343-V1345 HydrophobicContact CD1-CG2 4.42Å; L1343-V1345 PolarHBondContact O-N 2.99Å; L1343-L1382 HydrophobicContact CD1-CD2 3.72Å; L1343-V1396 HydrophobicContact CD1-CG2 3.8Å |
| 1344 | S | 72.6 | Confident | 69 | Low | 80 Ų | 80 | 45 Ų | 45 | 56% | 0.559 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 103 | 164 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 1345 | V | 63.7 | Low | 68.9 | Low | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | trans | -105.1 | -48.4 | -164.4 | 159.5 | 0 | 0 | 0 | 0 | 112 | G1327 V1329 L1343 T1384 K1392 W1394 | G1327-V1345 PolarHBondContact O-N 3.46Å; V1329-V1345 HydrophobicContact CB-CG2 4.12Å; V1329-V1345 HydrophobicContact CG2-CB 4.13Å; V1329-V1345 HydrophobicContact CG2-CG1 4.35Å; V1329-V1345 HydrophobicContact CG2-CG2 3.76Å; L1343-V1345 HydrophobicContact CB-CG2 3.56Å; L1343-V1345 HydrophobicContact CD1-CG2 4.42Å; L1343-V1345 PolarHBondContact O-N 2.99Å; V1345-T1384 HydrophobicContact CG1-CG2 3.9Å; V1345-T1384 WeakPolarHBondContact CG1-OG1 3.1Å; V1345-K1392 VanDerWaalsContact O-CD 3.32Å; V1345-K1392 WeakPolarHBondContact O-CD 3.4Å; V1345-K1392 PolarHBondContact O-NZ 3.21Å; V1345-W1394 HydrophobicContact CB-CZ2 3.9Å; V1345-W1394 HydrophobicContact CG1-CZ2 3.81Å; V1345-W1394 HydrophobicContact CG2-CD2 4.33Å; V1345-W1394 HydrophobicContact CG2-CZ2 3.84Å; V1345-W1394 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 1346 | H | 66.3 | Low | 68.7 | Low | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.06 | 21% | 0.209 | C | C | . | . | trans | -128.2 | 160.2 | 176.1 | -63.9 | -56.4 | 0 | 0 | 0 | 109.4 | G1327 S1348 T1384 V1390 K1392 | G1327-H1346 CarbonylContact C-O 3.6Å; G1327-H1346 VanDerWaalsContact CA-O 3.31Å; G1327-H1346 WeakPolarHBondContact CA-O 3.37Å; G1327-H1346 PolarHBondContact O-N 3.19Å; G1327-H1346 VanDerWaalsContact O-O 3.12Å; H1346-S1348 VanDerWaalsContact C-N 3.31Å; H1346-S1348 WeakPolarHBondContact CB-O 3.49Å; H1346-T1384 PolarHBondContact NE2-O 2.95Å; H1346-V1390 PolarHBondContact CE1-O 3.32Å; H1346-V1390 PolarHBondContact NE2-O 3.03Å; H1346-K1392 PolarHBondContact ND1-NZ 2.99Å | ||
| 1347 | A | 52.3 | Low | 68 | Low | 76 Ų | 76 | 35.3 Ų | 35.3 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -81.7 | -15.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1348 | S | 62.6 | Low | 67 | Low | 20 Ų | 20 | 37.5 Ų | 37.5 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -117.2 | 169.4 | -179.3 | 56 | 0 | 0 | 0 | 0 | 110.8 | G1327 H1346 V1350 S1386 D1388 | G1327-S1348 WeakPolarHBondContact CA-O 3.45Å; H1346-S1348 VanDerWaalsContact C-N 3.31Å; H1346-S1348 WeakPolarHBondContact CB-O 3.49Å; S1348-V1350 PolarHBondContact O-N 2.99Å; S1348-S1386 VanDerWaalsContact OG-CB 3.29Å; S1348-S1386 WeakPolarHBondContact OG-CB 3.45Å; S1348-S1386 PolarHBondContact OG-OG 2.91Å; S1348-D1388 VanDerWaalsContact CB-OD2 3.27Å; S1348-D1388 WeakPolarHBondContact CB-OD2 3.3Å; S1348-D1388 PolarHBondContact OG-OD1 3Å; S1348-D1388 PolarHBondContact OG-OD2 2.85Å |
| 1349 | W | 71.2 | Confident | 65.5 | Low | 116 Ų | 116 | 39.8 Ų | 39.8 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | trans | -59.6 | 137.5 | -170.1 | -42.1 | -15.5 | 0 | 0 | 0 | 112.3 | V1024 L1307 A1325 T1351 S1386 V1387 | V1024-W1349 HydrophobicContact CB-CZ3 4.28Å; V1024-W1349 HydrophobicContact CG1-CZ3 4.08Å; V1024-W1349 HydrophobicContact CG2-CH2 4.21Å; V1024-W1349 HydrophobicContact CG2-CZ3 4.24Å; L1307-W1349 HydrophobicContact CD1-CB 3.69Å; L1307-W1349 HydrophobicContact CD1-CD2 4.17Å; L1307-W1349 HydrophobicContact CD1-CE3 3.84Å; L1307-W1349 HydrophobicContact CD1-CG 4.17Å; A1325-W1349 HydrophobicContact CB-CG 4.3Å; W1349-T1351 PolarHBondContact O-N 2.86Å; W1349-S1386 VanDerWaalsContact O-CA 3.24Å; W1349-S1386 WeakPolarHBondContact O-CA 3.3Å; W1349-V1387 HydrophobicContact CB-CG2 3.8Å; W1349-V1387 HydrophobicContact CD2-CG2 4.19Å; W1349-V1387 HydrophobicContact CE3-CG2 4Å; W1349-V1387 HydrophobicContact CG-CG2 4.15Å; W1349-V1387 PolarHBondContact O-N 2.89Å; W1349-V1387 VanDerWaalsContact O-N 3.12Å | ||
| 1350 | V | 70.1 | Confident | 63.5 | Low | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 113.5 | 173.4 | -169.2 | 0 | 0 | 0 | 0 | 108.8 | T1324 R1328 V1329 S1348 I1353 A1385 | T1324-V1350 PolarHBondContact O-N 3.34Å; R1328-V1350 WeakPolarHBondContact O-CG2 3.29Å; V1329-V1350 HydrophobicContact CG2-CG1 4.39Å; V1329-V1350 HydrophobicContact CG2-CG2 4.33Å; S1348-V1350 PolarHBondContact O-N 2.99Å; V1350-I1353 HydrophobicContact CG1-CD1 4.39Å; V1350-I1353 HydrophobicContact CG1-CG1 3.82Å; V1350-A1385 CarbonylContact C-O 3.51Å; V1350-A1385 VanDerWaalsContact CA-O 3.31Å; V1350-A1385 WeakPolarHBondContact CA-O 3.46Å; V1350-A1385 WeakPolarHBondContact CG1-O 3.37Å |
| 1351 | T | 66.1 | Low | 61.4 | Low | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -20.6 | -176.7 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | P1027 W1349 A1385 V1387 | P1027-T1351 HydrophobicContact CG-CG2 4Å; W1349-T1351 PolarHBondContact O-N 2.86Å; T1351-A1385 PolarHBondContact N-O 2.83Å; T1351-A1385 PolarHBondContact OG1-O 2.94Å; T1351-V1387 HydrophobicContact CG2-CB 4.3Å; T1351-V1387 HydrophobicContact CG2-CG2 3.45Å; T1351-V1387 VanDerWaalsContact CG2-CG2 3.45Å |
| 1352 | A | 64.4 | Low | 59.2 | Low | 16 Ų | 16 | 53.8 Ų | 53.8 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 145.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1029 T1384 A1385 | V1029-A1352 HydrophobicContact CB-CB 3.87Å; A1352-T1384 WeakPolarHBondContact O-CA 3.15Å; A1352-A1385 HydrophobicContact CB-CB 3.95Å; A1352-A1385 PolarHBondContact O-N 3.01Å |
| 1353 | I | 74.6 | Confident | 56.8 | Low | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.8 | 169.5 | -72.2 | -174.2 | 0 | 0 | 0 | 108.3 | D1310 A1321 G1322 G1323 V1329 V1350 L1382 L1383 | D1310-I1353 HydrophobicContact CB-CG2 4.03Å; A1321-I1353 HydrophobicContact CB-CD1 4.4Å; A1321-I1353 HydrophobicContact CB-CG2 3.88Å; G1322-I1353 VanDerWaalsContact C-CD1 3.42Å; G1323-I1353 VanDerWaalsContact CA-CD1 3.45Å; V1329-I1353 HydrophobicContact CB-CD1 4.13Å; V1329-I1353 HydrophobicContact CG1-CD1 3.53Å; V1329-I1353 HydrophobicContact CG2-CD1 3.63Å; V1329-I1353 HydrophobicContact CG2-CG1 4.24Å; V1350-I1353 HydrophobicContact CG1-CD1 4.39Å; V1350-I1353 HydrophobicContact CG1-CG1 3.82Å; I1353-L1382 HydrophobicContact CG2-CD1 3.75Å; I1353-L1383 CarbonylContact C-O 3.54Å; I1353-L1383 WeakPolarHBondContact CA-O 3.26Å |
| 1354 | R | 72.1 | Confident | 54.5 | Low | 53 Ų | 53 | 60.6 Ų | 60.6 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 126.9 | 161.8 | -156.6 | 69.4 | 159.9 | 136.2 | -0.3 | 110.5 | D1032 D1310 L1383 M2087 | D1032-R1354 IonicContact OD2-CZ 2.77Å; D1032-R1354 IonicContact OD2-NE 2.67Å; D1032-R1354 PolarHBondContact OD2-NE 2.99Å; D1032-R1354 IonicContact OD2-NH2 2.72Å; D1032-R1354 PolarHBondContact OD2-NH2 2.98Å; D1310-R1354 IonicContact OD1-CZ 3.3Å; D1310-R1354 IonicContact OD1-NH1 2.78Å; D1310-R1354 PolarHBondContact OD1-NH1 3.23Å; D1310-R1354 WeakPolarHBondContact OD2-CA 3.14Å; D1310-R1354 IonicContact OD2-NH1 2.98Å; R1354-L1383 HydrophobicContact CB-CB 4.37Å; R1354-L1383 PolarHBondContact N-O 3.34Å; R1354-L1383 PolarHBondContact O-N 2.95Å; R1354-M2087 HydrophobicContact CB-CE 4.14Å; R1354-M2087 HydrophobicContact CB-SD 4.34Å; R1354-M2087 HydrophobicContact CG-CE 3.46Å; R1354-M2087 VanDerWaalsContact CG-CE 3.46Å; R1354-M2087 HydrophobicContact CG-SD 3.58Å; R1354-M2087 VanDerWaalsContact CG-SD 3.58Å |
| 1355 | L | 73.3 | Confident | 52.2 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116.6 | 168.3 | -68.2 | 167.1 | 0 | 0 | 0 | 107.7 | D1310 R1312 I1319 A1321 I1380 L1382 | D1310-L1355 WeakPolarHBondContact OD2-CB 3.31Å; D1310-L1355 PolarHBondContact OD2-N 2.93Å; R1312-L1355 HydrophobicContact CB-CB 4.04Å; R1312-L1355 HydrophobicContact CB-CD1 3.96Å; R1312-L1355 PolarHBondContact NH1-O 2.98Å; I1319-L1355 HydrophobicContact CG2-CD1 4.26Å; A1321-L1355 HydrophobicContact CB-CD1 4.18Å; A1321-L1355 HydrophobicContact CB-CD2 4.09Å; A1321-L1355 HydrophobicContact CB-CG 4.16Å; L1355-I1380 HydrophobicContact CD2-CG2 3.67Å; L1355-L1382 HydrophobicContact CD2-CD1 3.84Å |
| 1356 | L | 63.8 | Low | 50.4 | Low | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -65 | 155.5 | 177.9 | -79.8 | 150.5 | 0 | 0 | 0 | 110.8 | G1381 L1383 R1393 M2087 | L1356-G1381 WeakPolarHBondContact CB-O 3.37Å; L1356-G1381 PolarHBondContact N-O 3.28Å; L1356-L1383 HydrophobicContact CD1-CD1 4.28Å; L1356-L1383 HydrophobicContact CD1-CG 4.06Å; L1356-L1383 HydrophobicContact CD2-CD1 3.98Å; L1356-L1383 HydrophobicContact CG-CD1 4.16Å; L1356-L1383 HydrophobicContact CG-CG 4.35Å; L1356-R1393 HydrophobicContact CD1-CG 4.19Å; L1356-M2087 HydrophobicContact CB-CE 4.33Å; L1356-M2087 HydrophobicContact CD2-CE 3.59Å; L1356-M2087 HydrophobicContact CD2-CG 4.11Å; L1356-M2087 HydrophobicContact CG-CE 3.87Å |
| 1357 | P | 52 | Low | 48.6 | Very low | 38 Ų | 38 | 64 Ų | 64 | 25% | 0.247 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 163.3 | 173 | -7.8 | 23.6 | 0 | 0 | 0 | 111.7 | D1359 | P1357-D1359 WeakPolarHBondContact CB-OD1 3.43Å; P1357-D1359 WeakPolarHBondContact CG-OD1 3.43Å; P1357-D1359 PolarHBondContact O-N 2.92Å |
| 1358 | D | 44.8 | Very low | 47.3 | Very low | 63 Ų | 63 | 67.5 Ų | 67.5 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | trans | -68.3 | 86.4 | 155.1 | -68.3 | -39 | 0 | 0 | 0 | 108.3 | F1360 | D1358-F1360 PolarHBondContact O-N 2.92Š| ||
| 1359 | D | 38.3 | Very low | 45.6 | Very low | 103 Ų | 103 | 69.6 Ų | 69.6 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -69.9 | 40.6 | 177.2 | -69.2 | -22.1 | 0 | 0 | 0 | 112.7 | P1357 | P1357-D1359 WeakPolarHBondContact CB-OD1 3.43Å; P1357-D1359 WeakPolarHBondContact CG-OD1 3.43Å; P1357-D1359 PolarHBondContact O-N 2.92Å |
| 1360 | F | 31.3 | Very low | 43.5 | Very low | 161 Ų | 161 | 67.1 Ų | 67.1 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | trans | -131.4 | 30.2 | 174.1 | -93 | -74.7 | 0 | 0 | 0 | 111.4 | D1358 L1378 | D1358-F1360 PolarHBondContact O-N 2.92Å; F1360-L1378 HydrophobicContact CD2-CD2 4.2Å | ||
| 1361 | K | 27.5 | Very low | 41.4 | Very low | 183 Ų | 183 | 75.1 Ų | 75.1 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | trans | -124.4 | 63.9 | 169.3 | -77 | -167.5 | 173.9 | -176.7 | 0 | 112.2 | ||||
| 1362 | Q | 26.5 | Very low | 39.4 | Very low | 69 Ų | 69 | 80.4 Ų | 80.4 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | trans | -128.4 | 61.6 | 167.3 | -98.2 | -67.6 | -27.3 | 0 | 0 | 109.1 | S2108 D2110 | Q1362-S2108 PolarHBondContact NE2-O 2.93Å; Q1362-S2108 PolarHBondContact OE1-O 3.33Å; Q1362-D2110 HydrophobicContact CG-CB 3.79Å; Q1362-D2110 PolarHBondContact NE2-OD2 3.31Å | ||
| 1363 | F | 26.5 | Very low | 37.5 | Very low | 202 Ų | 202 | 85.7 Ų | 85.7 | 89% | 0.886 | 42% | 0.423 | S | S | * | . | trans | -140 | 81.9 | 174.9 | -85.7 | -76.6 | 0 | 0 | 0 | 108.8 | ||||
| 1364 | S | 24 | Very low | 35.3 | Very low | 40 Ų | 40 | 90.6 Ų | 90.6 | 28% | 0.28 | 45% | 0.449 | S | S | . | . | trans | -143.9 | 115.4 | 160 | 55.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1365 | D | 25.1 | Very low | 33.1 | Very low | 60 Ų | 60 | 96.9 Ų | 96.9 | 32% | 0.321 | 48% | 0.478 | S | S | . | . | S | Bend | cis | -141 | 157.3 | 33.1 | -78.4 | -71.8 | 0 | 0 | 0 | 116.1 | F2106 S2107 | D1365-F2106 VanDerWaalsContact OD1-CB 3.32Å; D1365-F2106 WeakPolarHBondContact OD1-CB 3.39Å; D1365-F2106 WeakPolarHBondContact OD2-CB 3.2Å; D1365-S2107 VanDerWaalsContact OD2-CA 3.27Å; D1365-S2107 WeakPolarHBondContact OD2-CA 3.48Å; D1365-S2107 PolarHBondContact OD2-N 3.07Å |
| 1366 | G | 25.3 | Very low | 31.1 | Very low | 30 Ų | 30 | 101.5 Ų | 101.5 | 31% | 0.309 | 51% | 0.51 | S | S | . | . | S | Bend | trans | 80 | 43.5 | 139.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 1367 | D | 28.8 | Very low | 29.8 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | trans | -150.8 | 126.3 | 156.5 | -84.7 | -45 | 0 | 0 | 0 | 111.3 | P383 S384 S385 | P383-D1367 WeakPolarHBondContact CA-OD1 3.16Å; P383-D1367 HydrophobicContact CB-CB 3.88Å; P383-D1367 VanDerWaalsContact CB-CG 3.42Å; P383-D1367 WeakPolarHBondContact CB-OD1 3.24Å; S384-D1367 VanDerWaalsContact CA-OD2 3.27Å; S384-D1367 WeakPolarHBondContact CA-OD2 3.36Å; S384-D1367 PolarHBondContact N-OD1 2.66Å; S384-D1367 PolarHBondContact N-OD2 3.3Å; S385-D1367 VanDerWaalsContact CA-OD2 3.23Å; S385-D1367 WeakPolarHBondContact CA-OD2 3.47Å; S385-D1367 PolarHBondContact N-OD2 3.17Å; S385-D1367 VanDerWaalsContact N-OD2 3.08Å | ||
| 1368 | Y | 26 | Very low | 29.1 | Very low | 148 Ų | 148 | 104.6 Ų | 104.6 | 58% | 0.58 | 53% | 0.526 | S | S | * | . | trans | -91.7 | 150.1 | 176.6 | -82.1 | -122 | 0 | 0 | 0 | 110.1 | ||||
| 1369 | F | 27.1 | Very low | 29.2 | Very low | 64 Ų | 64 | 104.6 Ų | 104.6 | 28% | 0.281 | 53% | 0.53 | S | S | . | . | -178 | 149 | 104.7 | -112.1 | -89.6 | 0 | 0 | 0 | 117.8 | S394 S397 A400 | S394-F1369 VanDerWaalsContact O-CE2 3.29Å; S394-F1369 WeakPolarHBondContact O-CE2 3.35Å; S397-F1369 VanDerWaalsContact CB-CE2 3.46Å; S397-F1369 WeakPolarHBondContact OG-CD2 3.37Å; S397-F1369 WeakPolarHBondContact OG-CE2 3.35Å; S397-F1369 WeakPolarHBondContact OG-CG 3.43Å; A400-F1369 HydrophobicContact CB-CD1 3.56Å; A400-F1369 HydrophobicContact CB-CD2 4.36Å; A400-F1369 HydrophobicContact CB-CE1 3.17Å; A400-F1369 HydrophobicContact CB-CE2 4.01Å; A400-F1369 HydrophobicContact CB-CG 4.13Å; A400-F1369 HydrophobicContact CB-CZ 3.38Å | |||
| 1370 | D | 26.3 | Very low | 30.2 | Very low | 64 Ų | 64 | 100 Ų | 100 | 34% | 0.342 | 51% | 0.505 | S | S | . | . | trans | -7 | 122.5 | 177.8 | -64.4 | -17.9 | 0 | 0 | 0 | 123 | K439 | K439-D1370 IonicContact NZ-OD1 3.52Å; K439-D1370 PolarHBondContact NZ-OD1 3.27Å; K439-D1370 IonicContact NZ-OD2 2.73Å; K439-D1370 PolarHBondContact NZ-OD2 2.99Å | ||
| 1371 | F | 25.3 | Very low | 31.6 | Very low | 168 Ų | 168 | 92.5 Ų | 92.5 | 74% | 0.737 | 47% | 0.474 | S | S | * | . | trans | -34.9 | 139.8 | 153.5 | -63.2 | -110.9 | 0 | 0 | 0 | 115.9 | ||||
| 1372 | N | 23.6 | Very low | 33.5 | Very low | 122 Ų | 122 | 83.8 Ų | 83.8 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | 172.7 | 52.4 | 122.3 | -89.8 | -48.8 | 0 | 0 | 0 | 115.6 | |||||
| 1373 | V | 26.2 | Very low | 35.5 | Very low | 128 Ų | 128 | 81.7 Ų | 81.7 | 78% | 0.776 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -135 | 122.4 | 162.6 | -177.2 | 0 | 0 | 0 | 0 | 111 | ||
| 1374 | N | 27.9 | Very low | 37.1 | Very low | 117 Ų | 117 | 72.2 Ų | 72.2 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | trans | 33.5 | 90.3 | 162.7 | -58.5 | -25.4 | 0 | 0 | 0 | 117.5 | S1376 | N1374-S1376 PolarHBondContact O-N 3.29Å; N1374-S1376 PolarHBondContact O-OG 2.97Å | ||
| 1375 | K | 25.9 | Very low | 38.7 | Very low | 185 Ų | 185 | 70.5 Ų | 70.5 | 80% | 0.804 | 37% | 0.374 | S | S | * | . | trans | -63.6 | 80.1 | 156.3 | -82.5 | -164.1 | 172.6 | -168.2 | 0 | 110.1 | C1377 | K1375-C1377 PolarHBondContact O-N 2.8Š| ||
| 1376 | S | 31.1 | Very low | 40.3 | Very low | 96 Ų | 96 | 67.6 Ų | 67.6 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | trans | -83.6 | 68 | -178.9 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | N1374 | N1374-S1376 PolarHBondContact O-N 3.29Å; N1374-S1376 PolarHBondContact O-OG 2.97Å | ||
| 1377 | C | 35.7 | Very low | 41.6 | Very low | 38 Ų | 38 | 68.8 Ų | 68.8 | 26% | 0.257 | 36% | 0.359 | S | S | . | . | trans | 33.5 | 90.3 | 154.1 | -109.1 | 0 | 0 | 0 | 0 | 114.7 | K1375 A1398 | K1375-C1377 PolarHBondContact O-N 2.8Å; C1377-A1398 HydrophobicContact CB-CB 3.63Å; C1377-A1398 PolarHBondContact SG-O 3.09Å; C1377-A1398 VanDerWaalsContact SG-O 3.39Å | ||
| 1378 | L | 38.8 | Very low | 42.6 | Very low | 77 Ų | 77 | 69 Ų | 69 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | trans | -64.4 | 133 | -179.9 | -70.4 | 167.5 | 0 | 0 | 0 | 111.1 | F1360 A1398 | F1360-L1378 HydrophobicContact CD2-CD2 4.2Å; L1378-A1398 WeakPolarHBondContact O-CB 3.3Å | ||
| 1379 | P | 46 | Very low | 43.4 | Very low | 63 Ų | 63 | 62.8 Ų | 62.8 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | trans | -68.2 | 136.2 | -178.4 | 28.5 | -34.4 | 0 | 0 | 0 | 111.2 | G1381 D1395 V1396 | P1379-G1381 PolarHBondContact O-N 2.98Å; P1379-D1395 HydrophobicContact CB-CB 4.21Å; P1379-D1395 HydrophobicContact CG-CB 4.45Å; P1379-V1396 VanDerWaalsContact CA-O 3.28Å; P1379-V1396 WeakPolarHBondContact CA-O 3.31Å | ||
| 1380 | I | 58.7 | Low | 44.2 | Very low | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 111.3 | 170.4 | -60.3 | 169.8 | 0 | 0 | 0 | 107.5 | I1314 I1319 L1355 V1396 L1401 | I1314-I1380 HydrophobicContact CD1-CG1 4.27Å; I1314-I1380 HydrophobicContact CD1-CG2 4.07Å; I1319-I1380 HydrophobicContact CD1-CD1 3.9Å; L1355-I1380 HydrophobicContact CD2-CG2 3.67Å; I1380-V1396 HydrophobicContact CB-CB 4.25Å; I1380-V1396 PolarHBondContact N-O 3.12Å; I1380-V1396 WeakPolarHBondContact O-CB 3.31Å; I1380-V1396 PolarHBondContact O-N 3.31Å; I1380-L1401 HydrophobicContact CD1-CD1 3.94Å; I1380-L1401 HydrophobicContact CD1-CD2 4.04Å; I1380-L1401 HydrophobicContact CD1-CG 4.06Å; I1380-L1401 HydrophobicContact CG1-CD1 4.01Å |
| 1381 | G | 61.6 | Low | 45.2 | Very low | 5 Ų | 5 | 61.3 Ų | 61.3 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.2 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | L1356 P1379 W1394 | L1356-G1381 WeakPolarHBondContact CB-O 3.37Å; L1356-G1381 PolarHBondContact N-O 3.28Å; P1379-G1381 PolarHBondContact O-N 2.98Å; G1381-W1394 CarbonylContact C-O 3.5Å; G1381-W1394 WeakPolarHBondContact CA-O 3.44Å |
| 1382 | L | 67 | Low | 46.2 | Very low | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 117.6 | -179.3 | 178.6 | 84.1 | 0 | 0 | 0 | 109.3 | A1321 V1329 L1343 I1353 L1355 T1384 R1393 W1394 V1396 | A1321-L1382 HydrophobicContact CB-CD1 4.26Å; V1329-L1382 HydrophobicContact CB-CD2 4.24Å; V1329-L1382 HydrophobicContact CG1-CD1 4.29Å; V1329-L1382 HydrophobicContact CG1-CD2 3.9Å; V1329-L1382 HydrophobicContact CG2-CD2 4.34Å; L1343-L1382 HydrophobicContact CD1-CD2 3.72Å; I1353-L1382 HydrophobicContact CG2-CD1 3.75Å; L1355-L1382 HydrophobicContact CD2-CD1 3.84Å; L1382-T1384 HydrophobicContact CD1-CG2 4.48Å; L1382-T1384 HydrophobicContact CD2-CG2 3.63Å; L1382-T1384 HydrophobicContact CG-CG2 3.68Å; L1382-R1393 CarbonylContact O-C 3.59Å; L1382-R1393 WeakPolarHBondContact O-CA 3.36Å; L1382-W1394 HydrophobicContact CB-CB 4.31Å; L1382-W1394 HydrophobicContact CD2-CB 4.46Å; L1382-W1394 HydrophobicContact CD2-CG 4.49Å; L1382-W1394 PolarHBondContact N-O 3.34Å; L1382-W1394 PolarHBondContact O-N 2.65Å; L1382-V1396 HydrophobicContact CB-CG2 4.49Å |
| 1383 | L | 67.9 | Low | 47.9 | Very low | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.7 | 169.1 | -81.4 | 165.3 | 0 | 0 | 0 | 110.2 | I1353 R1354 L1356 I1391 R1393 M2087 | I1353-L1383 CarbonylContact C-O 3.54Å; I1353-L1383 WeakPolarHBondContact CA-O 3.26Å; R1354-L1383 HydrophobicContact CB-CB 4.37Å; R1354-L1383 PolarHBondContact N-O 3.34Å; R1354-L1383 PolarHBondContact O-N 2.95Å; L1356-L1383 HydrophobicContact CD1-CD1 4.28Å; L1356-L1383 HydrophobicContact CD1-CG 4.06Å; L1356-L1383 HydrophobicContact CD2-CD1 3.98Å; L1356-L1383 HydrophobicContact CG-CD1 4.16Å; L1356-L1383 HydrophobicContact CG-CG 4.35Å; L1383-I1391 HydrophobicContact CD2-CG2 3.91Å; L1383-R1393 HydrophobicContact CD2-CB 3.93Å; L1383-M2087 HydrophobicContact CD1-CE 4.38Å; L1383-M2087 HydrophobicContact CD1-CG 3.67Å; L1383-M2087 HydrophobicContact CD1-SD 4.43Å |
| 1384 | T | 61.7 | Low | 49.3 | Very low | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 123.2 | -169.8 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | V1329 V1345 H1346 A1352 L1382 I1391 K1392 W1394 | V1329-T1384 HydrophobicContact CG2-CG2 3.84Å; V1345-T1384 HydrophobicContact CG1-CG2 3.9Å; V1345-T1384 WeakPolarHBondContact CG1-OG1 3.1Å; H1346-T1384 PolarHBondContact NE2-O 2.95Å; A1352-T1384 WeakPolarHBondContact O-CA 3.15Å; L1382-T1384 HydrophobicContact CD1-CG2 4.48Å; L1382-T1384 HydrophobicContact CD2-CG2 3.63Å; L1382-T1384 HydrophobicContact CG-CG2 3.68Å; T1384-I1391 WeakPolarHBondContact O-CA 3.41Å; T1384-K1392 PolarHBondContact N-O 3.21Å; T1384-K1392 PolarHBondContact O-N 2.89Å; T1384-K1392 PolarHBondContact OG1-O 3.2Å; T1384-W1394 PolarHBondContact OG1-NE1 3.09Å |
| 1385 | A | 57.4 | Low | 50.6 | Low | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1350 T1351 A1352 I1391 | V1350-A1385 CarbonylContact C-O 3.51Å; V1350-A1385 VanDerWaalsContact CA-O 3.31Å; V1350-A1385 WeakPolarHBondContact CA-O 3.46Å; V1350-A1385 WeakPolarHBondContact CG1-O 3.37Å; T1351-A1385 PolarHBondContact N-O 2.83Å; T1351-A1385 PolarHBondContact OG1-O 2.94Å; A1352-A1385 HydrophobicContact CB-CB 3.95Å; A1352-A1385 PolarHBondContact O-N 3.01Å; A1385-I1391 HydrophobicContact CB-CD1 3.78Å; A1385-I1391 HydrophobicContact CB-CG1 3.68Å |
| 1386 | S | 58.9 | Low | 51.9 | Low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 166.1 | 168.1 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | S1348 W1349 D1388 G1389 V1390 | S1348-S1386 VanDerWaalsContact OG-CB 3.29Å; S1348-S1386 WeakPolarHBondContact OG-CB 3.45Å; S1348-S1386 PolarHBondContact OG-OG 2.91Å; W1349-S1386 VanDerWaalsContact O-CA 3.24Å; W1349-S1386 WeakPolarHBondContact O-CA 3.3Å; S1386-D1388 PolarHBondContact O-N 3.19Å; S1386-D1388 PolarHBondContact OG-N 3.11Å; S1386-G1389 PolarHBondContact O-N 2.84Å; S1386-V1390 PolarHBondContact N-O 2.94Å; S1386-V1390 PolarHBondContact OG-N 3.3Å |
| 1387 | V | 52.4 | Low | 52.5 | Low | 55 Ų | 55 | 41.3 Ų | 41.3 | 33% | 0.333 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -40.9 | 167.5 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | W1349 T1351 G1389 | W1349-V1387 HydrophobicContact CB-CG2 3.8Å; W1349-V1387 HydrophobicContact CD2-CG2 4.19Å; W1349-V1387 HydrophobicContact CE3-CG2 4Å; W1349-V1387 HydrophobicContact CG-CG2 4.15Å; W1349-V1387 PolarHBondContact O-N 2.89Å; W1349-V1387 VanDerWaalsContact O-N 3.12Å; T1351-V1387 HydrophobicContact CG2-CB 4.3Å; T1351-V1387 HydrophobicContact CG2-CG2 3.45Å; T1351-V1387 VanDerWaalsContact CG2-CG2 3.45Å; V1387-G1389 PolarHBondContact O-N 3.02Å |
| 1388 | D | 48.2 | Very low | 52.7 | Low | 81 Ų | 81 | 39.7 Ų | 39.7 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.7 | -178.6 | -44.9 | -33.9 | 0 | 0 | 0 | 113.4 | S1348 S1386 V1390 G2081 | S1348-D1388 VanDerWaalsContact CB-OD2 3.27Å; S1348-D1388 WeakPolarHBondContact CB-OD2 3.3Å; S1348-D1388 PolarHBondContact OG-OD1 3Å; S1348-D1388 PolarHBondContact OG-OD2 2.85Å; S1386-D1388 PolarHBondContact O-N 3.19Å; S1386-D1388 PolarHBondContact OG-N 3.11Å; D1388-V1390 HydrophobicContact CB-CG2 4.2Å; D1388-G2081 PolarHBondContact O-N 3.18Å |
| 1389 | G | 43.3 | Very low | 52.6 | Low | 19 Ų | 19 | 40.9 Ų | 40.9 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 86.6 | 5.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | S1386 V1387 I1391 T2082 | S1386-G1389 PolarHBondContact O-N 2.84Å; V1387-G1389 PolarHBondContact O-N 3.02Å; G1389-I1391 WeakPolarHBondContact O-CD1 3.48Å; G1389-I1391 PolarHBondContact O-N 2.85Å; G1389-T2082 VanDerWaalsContact CA-N 3.31Å |
| 1390 | V | 43.8 | Very low | 52.3 | Low | 65 Ų | 65 | 41 Ų | 41 | 39% | 0.394 | 23% | 0.229 | S | C | . | . | trans | -76.4 | 124.1 | 174.7 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | H1346 S1386 D1388 K1392 | H1346-V1390 PolarHBondContact CE1-O 3.32Å; H1346-V1390 PolarHBondContact NE2-O 3.03Å; S1386-V1390 PolarHBondContact N-O 2.94Å; S1386-V1390 PolarHBondContact OG-N 3.3Å; D1388-V1390 HydrophobicContact CB-CG2 4.2Å; V1390-K1392 HydrophobicContact CG1-CG 4.25Å | ||
| 1391 | I | 47 | Very low | 51.4 | Low | 32 Ų | 32 | 41.5 Ų | 41.5 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.4 | 167.5 | -71.9 | 66.3 | 0 | 0 | 0 | 109.6 | L1383 T1384 A1385 G1389 S2083 P2084 P2085 | L1383-I1391 HydrophobicContact CD2-CG2 3.91Å; T1384-I1391 WeakPolarHBondContact O-CA 3.41Å; A1385-I1391 HydrophobicContact CB-CD1 3.78Å; A1385-I1391 HydrophobicContact CB-CG1 3.68Å; G1389-I1391 WeakPolarHBondContact O-CD1 3.48Å; G1389-I1391 PolarHBondContact O-N 2.85Å; I1391-S2083 VanDerWaalsContact CD1-O 3.25Å; I1391-S2083 WeakPolarHBondContact CD1-O 3.36Å; I1391-P2084 HydrophobicContact CD1-CB 4.24Å; I1391-P2084 HydrophobicContact CG1-CB 3.94Å; I1391-P2085 HydrophobicContact CB-CG 3.89Å; I1391-P2085 VanDerWaalsContact CG2-CD 3.5Å; I1391-P2085 HydrophobicContact CG2-CG 3.54Å |
| 1392 | K | 47.7 | Very low | 50.2 | Low | 60 Ų | 60 | 42.6 Ų | 42.6 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.2 | 172.3 | -67.2 | 167.4 | -172 | 162.7 | 0 | 109.3 | V1345 H1346 T1384 V1390 W1394 | V1345-K1392 VanDerWaalsContact O-CD 3.32Å; V1345-K1392 WeakPolarHBondContact O-CD 3.4Å; V1345-K1392 PolarHBondContact O-NZ 3.21Å; H1346-K1392 PolarHBondContact ND1-NZ 2.99Å; T1384-K1392 PolarHBondContact N-O 3.21Å; T1384-K1392 PolarHBondContact O-N 2.89Å; T1384-K1392 PolarHBondContact OG1-O 3.2Å; V1390-K1392 HydrophobicContact CG1-CG 4.25Å; K1392-W1394 HydrophobicContact CB-CZ2 3.94Å; K1392-W1394 HydrophobicContact CD-CH2 4.32Å; K1392-W1394 HydrophobicContact CD-CZ2 3.54Å; K1392-W1394 HydrophobicContact CG-CZ2 4.34Å |
| 1393 | R | 59.7 | Low | 48.7 | Very low | 137 Ų | 137 | 44.5 Ų | 44.5 | 52% | 0.517 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.5 | 162.7 | 176.4 | 177.5 | 171.1 | 137 | 5.2 | 108 | L1356 L1382 L1383 D1395 | L1356-R1393 HydrophobicContact CD1-CG 4.19Å; L1382-R1393 CarbonylContact O-C 3.59Å; L1382-R1393 WeakPolarHBondContact O-CA 3.36Å; L1383-R1393 HydrophobicContact CD2-CB 3.93Å; R1393-D1395 IonicContact CZ-OD1 3.89Å; R1393-D1395 IonicContact NE-OD1 2.66Å; R1393-D1395 PolarHBondContact NE-OD1 3.15Å; R1393-D1395 IonicContact NE-OD2 3.11Å; R1393-D1395 PolarHBondContact NE-OD2 3.02Å; R1393-D1395 IonicContact NH2-OD1 3.86Å; R1393-D1395 PolarHBondContact NH2-OD1 3.29Å |
| 1394 | W | 55.6 | Low | 47 | Very low | 60 Ų | 60 | 47 Ų | 47 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.2 | 174.6 | -50.9 | 82.5 | 0 | 0 | 0 | 108.4 | V1345 G1381 L1382 T1384 K1392 V1396 | V1345-W1394 HydrophobicContact CB-CZ2 3.9Å; V1345-W1394 HydrophobicContact CG1-CZ2 3.81Å; V1345-W1394 HydrophobicContact CG2-CD2 4.33Å; V1345-W1394 HydrophobicContact CG2-CZ2 3.84Å; V1345-W1394 WeakPolarHBondContact O-CZ2 3.47Å; G1381-W1394 CarbonylContact C-O 3.5Å; G1381-W1394 WeakPolarHBondContact CA-O 3.44Å; L1382-W1394 HydrophobicContact CB-CB 4.31Å; L1382-W1394 HydrophobicContact CD2-CB 4.46Å; L1382-W1394 HydrophobicContact CD2-CG 4.49Å; L1382-W1394 PolarHBondContact N-O 3.34Å; L1382-W1394 PolarHBondContact O-N 2.65Å; T1384-W1394 PolarHBondContact OG1-NE1 3.09Å; K1392-W1394 HydrophobicContact CB-CZ2 3.94Å; K1392-W1394 HydrophobicContact CD-CH2 4.32Å; K1392-W1394 HydrophobicContact CD-CZ2 3.54Å; K1392-W1394 HydrophobicContact CG-CZ2 4.34Å; W1394-V1396 HydrophobicContact CB-CG2 4.27Å |
| 1395 | D | 55.2 | Low | 45.6 | Very low | 89 Ų | 89 | 51 Ų | 51 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 93.2 | 171.3 | -59.2 | -61.1 | 0 | 0 | 0 | 107.4 | P1379 R1393 G1397 | P1379-D1395 HydrophobicContact CB-CB 4.21Å; P1379-D1395 HydrophobicContact CG-CB 4.45Å; R1393-D1395 IonicContact CZ-OD1 3.89Å; R1393-D1395 IonicContact NE-OD1 2.66Å; R1393-D1395 PolarHBondContact NE-OD1 3.15Å; R1393-D1395 IonicContact NE-OD2 3.11Å; R1393-D1395 PolarHBondContact NE-OD2 3.02Å; R1393-D1395 IonicContact NH2-OD1 3.86Å; R1393-D1395 PolarHBondContact NH2-OD1 3.29Å; D1395-G1397 PolarHBondContact O-N 3.39Å |
| 1396 | V | 52.8 | Low | 44.3 | Very low | 14 Ų | 14 | 51.3 Ų | 51.3 | 9% | 0.085 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 95.7 | -172.4 | -173.3 | 0 | 0 | 0 | 0 | 109 | V1341 L1343 P1379 I1380 L1382 W1394 A1398 C1400 | V1341-V1396 HydrophobicContact CG2-CG1 4.3Å; L1343-V1396 HydrophobicContact CD1-CG2 3.8Å; P1379-V1396 VanDerWaalsContact CA-O 3.28Å; P1379-V1396 WeakPolarHBondContact CA-O 3.31Å; I1380-V1396 HydrophobicContact CB-CB 4.25Å; I1380-V1396 PolarHBondContact N-O 3.12Å; I1380-V1396 WeakPolarHBondContact O-CB 3.31Å; I1380-V1396 PolarHBondContact O-N 3.31Å; L1382-V1396 HydrophobicContact CB-CG2 4.49Å; W1394-V1396 HydrophobicContact CB-CG2 4.27Å; V1396-A1398 PolarHBondContact O-N 3.19Å; V1396-A1398 VanDerWaalsContact O-N 3.16Å; V1396-C1400 HydrophobicContact CG1-CB 4.45Å |
| 1397 | G | 43.8 | Very low | 42.7 | Very low | 35 Ų | 35 | 55.1 Ų | 55.1 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | trans | -48.8 | 118.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1395 T1399 C1400 | D1395-G1397 PolarHBondContact O-N 3.39Å; G1397-T1399 PolarHBondContact O-N 3.04Å; G1397-T1399 PolarHBondContact O-OG1 3.18Å; G1397-T1399 VanDerWaalsContact O-OG1 3.1Å; G1397-C1400 PolarHBondContact O-N 3.36Å | ||
| 1398 | A | 38.9 | Very low | 41.5 | Very low | 5 Ų | 5 | 57.5 Ų | 57.5 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -73.4 | 11.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1377 L1378 V1396 C1400 L1401 | C1377-A1398 HydrophobicContact CB-CB 3.63Å; C1377-A1398 PolarHBondContact SG-O 3.09Å; C1377-A1398 VanDerWaalsContact SG-O 3.39Å; L1378-A1398 WeakPolarHBondContact O-CB 3.3Å; V1396-A1398 PolarHBondContact O-N 3.19Å; V1396-A1398 VanDerWaalsContact O-N 3.16Å; A1398-C1400 PolarHBondContact O-N 2.78Å; A1398-C1400 VanDerWaalsContact O-N 3.17Å; A1398-L1401 HydrophobicContact CB-CB 4.23Å; A1398-L1401 HydrophobicContact CB-CD1 3.94Å; A1398-L1401 HydrophobicContact CB-CG 4.36Å; A1398-L1401 PolarHBondContact O-N 3.14Å |
| 1399 | T | 36.1 | Very low | 40.3 | Very low | 102 Ų | 102 | 57 Ų | 57 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -50.9 | -21.9 | 148.6 | 41.2 | 0 | 0 | 0 | 0 | 113.2 | G1397 | G1397-T1399 PolarHBondContact O-N 3.04Å; G1397-T1399 PolarHBondContact O-OG1 3.18Å; G1397-T1399 VanDerWaalsContact O-OG1 3.1Å |
| 1400 | C | 40.4 | Very low | 39.4 | Very low | 65 Ų | 65 | 63.2 Ų | 63.2 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -86.2 | -4.6 | 175 | -62.1 | 0 | 0 | 0 | 0 | 114.7 | V1341 V1396 G1397 A1398 | V1341-C1400 HydrophobicContact CG2-CB 4.06Å; V1396-C1400 HydrophobicContact CG1-CB 4.45Å; G1397-C1400 PolarHBondContact O-N 3.36Å; A1398-C1400 PolarHBondContact O-N 2.78Å; A1398-C1400 VanDerWaalsContact O-N 3.17Å |
| 1401 | L | 39.3 | Very low | 38.4 | Very low | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | trans | -95.4 | 133.4 | -177.3 | -90.8 | 177.2 | 0 | 0 | 0 | 113.4 | R627 I1319 L1340 I1380 A1398 T1403 | R627-L1401 PolarHBondContact NH1-O 2.87Å; I1319-L1401 HydrophobicContact CD1-CD2 3.95Å; L1340-L1401 HydrophobicContact CD1-CD2 3.95Å; L1340-L1401 HydrophobicContact CD2-CD2 4.47Å; I1380-L1401 HydrophobicContact CD1-CD1 3.94Å; I1380-L1401 HydrophobicContact CD1-CD2 4.04Å; I1380-L1401 HydrophobicContact CD1-CG 4.06Å; I1380-L1401 HydrophobicContact CG1-CD1 4.01Å; A1398-L1401 HydrophobicContact CB-CB 4.23Å; A1398-L1401 HydrophobicContact CB-CD1 3.94Å; A1398-L1401 HydrophobicContact CB-CG 4.36Å; A1398-L1401 PolarHBondContact O-N 3.14Å; L1401-T1403 PolarHBondContact O-N 2.75Å | ||
| 1402 | P | 37.5 | Very low | 37.3 | Very low | 28 Ų | 28 | 67.9 Ų | 67.9 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | trans | -79.5 | 115 | 167.2 | -12.9 | 29.4 | 0 | 0 | 0 | 111.7 | Q1317 R1333 L1340 | Q1317-P1402 PolarHBondContact NE2-O 2.68Å; R1333-P1402 PolarHBondContact NH1-O 2.91Å; L1340-P1402 HydrophobicContact CD2-CG 3.74Å | ||
| 1403 | T | 35.6 | Very low | 36.2 | Very low | 39 Ų | 39 | 70.3 Ų | 70.3 | 24% | 0.239 | 43% | 0.434 | C | S | . | . | trans | -58.7 | 150 | 170 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | R627 L1401 T1405 T1406 | R627-T1403 WeakPolarHBondContact CD-OG1 3.24Å; R627-T1403 PolarHBondContact NE-OG1 2.87Å; R627-T1403 VanDerWaalsContact NE-OG1 3.16Å; L1401-T1403 PolarHBondContact O-N 2.75Å; T1403-T1405 PolarHBondContact O-N 3Å; T1403-T1405 VanDerWaalsContact O-N 3.13Å; T1403-T1406 PolarHBondContact O-OG1 3.01Å | ||
| 1404 | P | 32.8 | Very low | 34.5 | Very low | 79 Ų | 79 | 74 Ų | 74 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.5 | -168.9 | 30.6 | -34.4 | 0 | 0 | 0 | 113.6 | T1406 | P1404-T1406 PolarHBondContact O-N 3.13Š|
| 1405 | T | 31.8 | Very low | 33 | Very low | 85 Ų | 85 | 76.5 Ų | 76.5 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 27.7 | -176.3 | 48.8 | 0 | 0 | 0 | 0 | 113 | V631 T1403 | V631-T1405 WeakPolarHBondContact CG1-O 3.49Å; T1403-T1405 PolarHBondContact O-N 3Å; T1403-T1405 VanDerWaalsContact O-N 3.13Å |
| 1406 | T | 29.5 | Very low | 31.5 | Very low | 11 Ų | 11 | 80.6 Ų | 80.6 | 7% | 0.067 | 48% | 0.482 | C | S | . | . | trans | -139.1 | 114.1 | -176 | 73.6 | 0 | 0 | 0 | 0 | 115.2 | R627 V631 T1403 P1404 | R627-T1406 HydrophobicContact CG-CG2 3.7Å; R627-T1406 PolarHBondContact NH2-OG1 3.49Å; V631-T1406 VanDerWaalsContact CG2-CA 3.46Å; V631-T1406 HydrophobicContact CG2-CG2 3.45Å; V631-T1406 VanDerWaalsContact CG2-CG2 3.45Å; T1403-T1406 PolarHBondContact O-OG1 3.01Å; P1404-T1406 PolarHBondContact O-N 3.13Å | ||
| 1407 | P | 26.5 | Very low | 30.1 | Very low | 79 Ų | 79 | 83 Ų | 83 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | trans | -73.4 | 156.7 | 166.5 | 33.6 | -33.6 | 0 | 0 | 0 | 111.2 | V631 | V631-P1407 HydrophobicContact CG1-CG 4.05Š| ||
| 1408 | T | 25.7 | Very low | 29.2 | Very low | 105 Ų | 105 | 85.1 Ų | 85.1 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | trans | -114.1 | 119.1 | -167.6 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1409 | P | 23 | Very low | 28.4 | Very low | 72 Ų | 72 | 86.9 Ų | 86.9 | 47% | 0.468 | 52% | 0.517 | S | S | . | . | trans | -73.1 | 141.2 | 161 | 30.9 | -31.9 | 0 | 0 | 0 | 110.2 | M636 | M636-P1409 HydrophobicContact CB-CG 3.98Š| ||
| 1410 | T | 24.5 | Very low | 27.7 | Very low | 148 Ų | 148 | 86.4 Ų | 86.4 | 91% | 0.908 | 52% | 0.517 | S | S | * | . | trans | -68.5 | 144.9 | -174.5 | 41.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1411 | G | 23.8 | Very low | 26.9 | Very low | 69 Ų | 69 | 84 Ų | 84 | 71% | 0.711 | 50% | 0.503 | S | S | * | . | trans | 162.2 | 124.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1412 | P | 23.3 | Very low | 26.1 | Very low | 127 Ų | 127 | 87.9 Ų | 87.9 | 83% | 0.825 | 52% | 0.524 | S | S | * | . | trans | -81.2 | 170.1 | 167 | 34.7 | -33.8 | 0 | 0 | 0 | 111.7 | ||||
| 1413 | V | 24 | Very low | 25.4 | Very low | 110 Ų | 110 | 86.7 Ų | 86.7 | 67% | 0.667 | 52% | 0.516 | S | S | * | . | trans | 145.3 | 97.9 | 145.5 | 168.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1414 | W | 23.8 | Very low | 24.8 | Very low | 216 Ų | 216 | 85.9 Ų | 85.9 | 82% | 0.818 | 51% | 0.512 | S | S | * | . | trans | 69.6 | 135.6 | 135.4 | -62.6 | 17.9 | 0 | 0 | 0 | 121.8 | ||||
| 1415 | P | 23.9 | Very low | 24.4 | Very low | 112 Ų | 112 | 86.5 Ų | 86.5 | 73% | 0.727 | 51% | 0.508 | S | S | * | . | trans | -88.4 | 142.6 | 165 | 36.4 | -31.8 | 0 | 0 | 0 | 111.9 | ||||
| 1416 | Y | 23.9 | Very low | 23.9 | Very low | 175 Ų | 175 | 89.7 Ų | 89.7 | 69% | 0.686 | 51% | 0.51 | S | S | * | . | trans | -176.4 | 163.4 | 150.7 | -92.8 | -42.2 | 0 | 0 | 0 | 109.8 | ||||
| 1417 | P | 24.9 | Very low | 23.9 | Very low | 63 Ų | 63 | 94.6 Ų | 94.6 | 41% | 0.409 | 53% | 0.532 | S | S | . | . | trans | -131.4 | 151.1 | -139.5 | 39.5 | -21.7 | 0 | 0 | 0 | 116.4 | H790 | H790-P1417 HydrophobicContact CB-CB 4.46Å; H790-P1417 VanDerWaalsContact CD2-CB 3.44Å; H790-P1417 WeakPolarHBondContact CD2-CB 3.44Å | ||
| 1418 | F | 23.2 | Very low | 24.2 | Very low | 80 Ų | 80 | 96.1 Ų | 96.1 | 35% | 0.351 | 54% | 0.544 | S | S | . | . | trans | 64.9 | 119.3 | 138.9 | -148.1 | -40.5 | 0 | 0 | 0 | 119.2 | N788 S789 H790 | N788-F1418 HydrophobicContact CB-CB 3.89Å; N788-F1418 HydrophobicContact CB-CD1 3.38Å; N788-F1418 HydrophobicContact CB-CD2 4.02Å; N788-F1418 HydrophobicContact CB-CE1 3.71Å; N788-F1418 HydrophobicContact CB-CE2 4.32Å; N788-F1418 HydrophobicContact CB-CG 3.54Å; N788-F1418 HydrophobicContact CB-CZ 4.16Å; N788-F1418 VanDerWaalsContact CG-CD1 3.4Å; N788-F1418 WeakPolarHBondContact O-CD2 3.2Å; N788-F1418 WeakPolarHBondContact O-CE2 3.46Å; N788-F1418 WeakPolarHBondContact OD1-CE1 3.21Å; N788-F1418 WeakPolarHBondContact OD1-CZ 3.4Å; S789-F1418 VanDerWaalsContact C-CD2 3.49Å; H790-F1418 HydrophobicContact CB-CD2 4.14Å; H790-F1418 AromaticContact CE1-CD2 3.6Å; H790-F1418 AromaticContact CE1-CG 3.52Å; H790-F1418 AromaticContact CG-CD2 3.52Å; H790-F1418 AromaticContact ND1-CD2 3.18Å; H790-F1418 WeakPolarHBondContact ND1-CD2 3.29Å; H790-F1418 AromaticContact ND1-CE2 3.81Å; H790-F1418 AromaticContact ND1-CG 3.63Å; H790-F1418 WeakPolarHBondContact NE2-CA 3.25Å; H790-F1418 WeakPolarHBondContact NE2-CB 3.38Å; H790-F1418 AromaticContact NE2-CG 3.89Å; H790-F1418 PolarHBondContact NE2-N 2.93Å; H790-F1418 VanDerWaalsContact NE2-N 3.11Å | ||
| 1419 | G | 22.7 | Very low | 24.6 | Very low | 43 Ų | 43 | 96.3 Ų | 96.3 | 44% | 0.443 | 54% | 0.542 | S | S | . | . | trans | 132.5 | 137.3 | 144.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1420 | S | 21.9 | Very low | 24.5 | Very low | 91 Ų | 91 | 96.7 Ų | 96.7 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | trans | 57.3 | 122.8 | 169 | 42.6 | 0 | 0 | 0 | 0 | 117.6 | Y652 | Y652-S1420 WeakPolarHBondContact CE2-O 3.26Å; Y652-S1420 PolarHBondContact OH-O 3.45Å | ||
| 1421 | G | 22.8 | Very low | 24.6 | Very low | 14 Ų | 14 | 93.9 Ų | 93.9 | 14% | 0.144 | 53% | 0.532 | C | S | . | . | cis | 157.9 | -167 | -4.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y652 S1423 | Y652-G1421 WeakPolarHBondContact CD1-O 3.29Å; Y652-G1421 WeakPolarHBondContact CD2-O 3.35Å; Y652-G1421 VanDerWaalsContact CE1-O 3.27Å; Y652-G1421 WeakPolarHBondContact CE1-O 3.02Å; Y652-G1421 WeakPolarHBondContact CE2-O 3.31Å; Y652-G1421 VanDerWaalsContact CZ-N 3.29Å; Y652-G1421 PolarHBondContact N-O 2.97Å; Y652-G1421 VanDerWaalsContact N-O 3.13Å; Y652-G1421 PolarHBondContact OH-N 2.7Å; G1421-S1423 PolarHBondContact O-N 3.22Å | ||
| 1422 | L | 22.3 | Very low | 24.7 | Very low | 100 Ų | 100 | 96.4 Ų | 96.4 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | 42.5 | 69.5 | 119.9 | -66.3 | 158.7 | 0 | 0 | 0 | 119.9 | Y651 Y652 | Y651-L1422 VanDerWaalsContact CE1-CA 3.46Å; Y651-L1422 HydrophobicContact CE2-CD2 4.25Å; Y651-L1422 HydrophobicContact CE2-CG 4.35Å; Y652-L1422 VanDerWaalsContact CD1-O 3.32Å; Y652-L1422 WeakPolarHBondContact CD1-O 3.46Å; Y652-L1422 VanDerWaalsContact CE1-O 3.24Å; Y652-L1422 WeakPolarHBondContact CE1-O 3.16Å | |||
| 1423 | S | 22.7 | Very low | 24.8 | Very low | 3 Ų | 3 | 98 Ų | 98 | 2% | 0.021 | 53% | 0.529 | C | S | . | . | 179.8 | 121.3 | 121.9 | 63.6 | 0 | 0 | 0 | 0 | 115.9 | Y651 Y652 D655 G1421 | Y651-S1423 CarbonylContact C-O 3.57Å; Y651-S1423 CarbonylContact O-C 3.38Å; Y652-S1423 CarbonylContact C-O 3.52Å; Y652-S1423 WeakPolarHBondContact CA-O 3.5Å; D655-S1423 CarbonylContact C-O 3.54Å; D655-S1423 PolarHBondContact N-O 3.39Å; D655-S1423 CarbonylContact O-C 3.48Å; D655-S1423 WeakPolarHBondContact O-CB 3.45Å; D655-S1423 PolarHBondContact O-OG 3.16Å; D655-S1423 VanDerWaalsContact O-OG 3.05Å; G1421-S1423 PolarHBondContact O-N 3.22Å | |||
| 1424 | S | 24 | Very low | 25 | Very low | 21 Ų | 21 | 99.6 Ų | 99.6 | 15% | 0.147 | 53% | 0.53 | C | S | . | . | cis | -174.2 | -90.9 | -13.5 | 24.3 | 0 | 0 | 0 | 0 | 115.3 | D655 I658 R1426 | D655-S1424 PolarHBondContact O-N 3.42Å; D655-S1424 PolarHBondContact O-OG 3.32Å; D655-S1424 VanDerWaalsContact OD2-CB 3.32Å; D655-S1424 WeakPolarHBondContact OD2-CB 3.34Å; D655-S1424 PolarHBondContact OD2-OG 2.78Å; I658-S1424 VanDerWaalsContact CD1-CB 3.42Å; I658-S1424 WeakPolarHBondContact CD1-OG 3.29Å; I658-S1424 WeakPolarHBondContact CG1-OG 3.35Å; S1424-R1426 PolarHBondContact O-N 3.3Å | ||
| 1425 | Q | 23.4 | Very low | 25 | Very low | 92 Ų | 92 | 95.5 Ų | 95.5 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | trans | -25.1 | 114.4 | -160.9 | -88.9 | 164.3 | 85.7 | 0 | 0 | 115.9 | D655 T657 | D655-Q1425 HydrophobicContact CB-CB 3.81Å; D655-Q1425 VanDerWaalsContact CB-N 3.32Å; D655-Q1425 PolarHBondContact OD1-NE2 3.46Å; D655-Q1425 VanDerWaalsContact OD2-CB 3.26Å; D655-Q1425 WeakPolarHBondContact OD2-CB 3.36Å; D655-Q1425 WeakPolarHBondContact OD2-CG 3.46Å; D655-Q1425 PolarHBondContact OD2-N 3.37Å; D655-Q1425 PolarHBondContact OD2-NE2 3.48Å; T657-Q1425 PolarHBondContact OG1-NE2 2.83Å | ||
| 1426 | R | 21.5 | Very low | 25.1 | Very low | 153 Ų | 153 | 95.6 Ų | 95.6 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | 47.1 | 126.9 | 71.3 | -47.3 | 175.1 | -162.8 | 159.2 | -0.9 | 109.9 | S1424 | S1424-R1426 PolarHBondContact O-N 3.3Š| |||
| 1427 | H | 30 | Very low | 25.1 | Very low | 114 Ų | 114 | 91.9 Ų | 91.9 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | S | Bend | cis | -142.3 | 155.5 | 19.2 | -65.4 | -88.5 | 0 | 0 | 0 | 107.4 | N1429 | H1427-N1429 PolarHBondContact ND1-OD1 2.94Š|
| 1428 | S | 32.7 | Very low | 25.3 | Very low | 110 Ų | 110 | 91.7 Ų | 91.7 | 77% | 0.769 | 52% | 0.524 | S | S | * | . | S | Bend | cis | -149.3 | 123.3 | 19.5 | 29.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1429 | N | 33.7 | Very low | 25.5 | Very low | 109 Ų | 109 | 93.9 Ų | 93.9 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | cis | -147.7 | 84.5 | -11.2 | -96.5 | -44.9 | 0 | 0 | 0 | 111.3 | H1427 | H1427-N1429 PolarHBondContact ND1-OD1 2.94Š| ||
| 1430 | S | 22.5 | Very low | 26 | Very low | 80 Ų | 80 | 97 Ų | 97 | 56% | 0.559 | 55% | 0.546 | S | S | * | . | trans | 49.3 | 123.8 | 143.7 | 61.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1431 | S | 24.7 | Very low | 26.7 | Very low | 89 Ų | 89 | 93.7 Ų | 93.7 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | trans | 56.9 | 108.4 | 140.2 | 63.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1432 | N | 27.6 | Very low | 27.7 | Very low | 123 Ų | 123 | 98 Ų | 98 | 66% | 0.658 | 55% | 0.545 | S | S | * | . | -176.1 | 80.6 | 129.9 | -94.1 | -17.7 | 0 | 0 | 0 | 111.3 | Q1434 | N1432-Q1434 HydrophobicContact CB-CG 4.31Å; N1432-Q1434 PolarHBondContact O-N 3.44Å; N1432-Q1434 VanDerWaalsContact O-N 3.07Å | |||
| 1433 | I | 24.7 | Very low | 28.8 | Very low | 159 Ų | 159 | 94.8 Ų | 94.8 | 82% | 0.815 | 53% | 0.526 | S | S | * | . | trans | -81.9 | 69.8 | 154.5 | -53.7 | -179.6 | 0 | 0 | 0 | 106.7 | ||||
| 1434 | Q | 27.7 | Very low | 30 | Very low | 144 Ų | 144 | 96.4 Ų | 96.4 | 67% | 0.673 | 54% | 0.536 | S | S | * | . | trans | -90.8 | 100.1 | 167.9 | -72.3 | -171.6 | -32.2 | 0 | 0 | 106.6 | N1432 P1436 | N1432-Q1434 HydrophobicContact CB-CG 4.31Å; N1432-Q1434 PolarHBondContact O-N 3.44Å; N1432-Q1434 VanDerWaalsContact O-N 3.07Å; Q1434-P1436 WeakPolarHBondContact O-CD 3.3Å; Q1434-P1436 VanDerWaalsContact O-N 3.13Å | ||
| 1435 | N | 23.9 | Very low | 31.3 | Very low | 130 Ų | 130 | 97.5 Ų | 97.5 | 70% | 0.695 | 54% | 0.539 | S | S | * | . | trans | -51 | 121.5 | 171.2 | -68.9 | 2.5 | 0 | 0 | 0 | 108 | V1437 | N1435-V1437 VanDerWaalsContact C-N 3.27Å; N1435-V1437 PolarHBondContact O-N 3.49Å | ||
| 1436 | P | 26.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 94 Ų | 94 | 75% | 0.747 | 52% | 0.524 | S | S | * | . | trans | -71.6 | 89.8 | 178 | 28.7 | -32.8 | 0 | 0 | 0 | 108.2 | Q1434 A1438 | Q1434-P1436 WeakPolarHBondContact O-CD 3.3Å; Q1434-P1436 VanDerWaalsContact O-N 3.13Å; P1436-A1438 PolarHBondContact O-N 2.88Å | ||
| 1437 | V | 24.4 | Very low | 34.5 | Very low | 97 Ų | 97 | 87.2 Ų | 87.2 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | trans | -68.8 | 77.8 | 167.2 | -175.8 | 0 | 0 | 0 | 0 | 107 | N1435 V1439 | N1435-V1437 VanDerWaalsContact C-N 3.27Å; N1435-V1437 PolarHBondContact O-N 3.49Å; V1437-V1439 HydrophobicContact CG1-CG2 4.15Å; V1437-V1439 PolarHBondContact O-N 3.01Å | ||
| 1438 | A | 28.8 | Very low | 35.8 | Very low | 59 Ų | 59 | 82.8 Ų | 82.8 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | trans | -70 | 85 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | P1436 H1440 | P1436-A1438 PolarHBondContact O-N 2.88Å; A1438-H1440 PolarHBondContact O-CD2 3.05Å; A1438-H1440 PolarHBondContact O-N 3.42Å | ||
| 1439 | V | 27.1 | Very low | 37 | Very low | 126 Ų | 126 | 78.6 Ų | 78.6 | 76% | 0.764 | 45% | 0.45 | S | S | * | . | trans | -66.4 | 86.3 | 166.7 | -177 | 0 | 0 | 0 | 0 | 106.8 | V1437 G1441 | V1437-V1439 HydrophobicContact CG1-CG2 4.15Å; V1437-V1439 PolarHBondContact O-N 3.01Å; V1439-G1441 PolarHBondContact O-N 3.33Å | ||
| 1440 | H | 34.6 | Very low | 38.4 | Very low | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | trans | -54.9 | 123.2 | -176.6 | -75.1 | -86.9 | 0 | 0 | 0 | 109.8 | A1438 | A1438-H1440 PolarHBondContact O-CD2 3.05Å; A1438-H1440 PolarHBondContact O-N 3.42Å | ||
| 1441 | G | 36.1 | Very low | 40 | Very low | 21 Ų | 21 | 75.1 Ų | 75.1 | 22% | 0.216 | 42% | 0.419 | C | S | . | . | trans | -54.4 | 142.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1439 W1443 | V1439-G1441 PolarHBondContact O-N 3.33Å; G1441-W1443 PolarHBondContact O-N 2.85Å; G1441-W1443 VanDerWaalsContact O-N 3.14Å; G1441-W1443 PolarHBondContact O-NE1 3.48Å | ||
| 1442 | L | 43.1 | Very low | 41.4 | Very low | 104 Ų | 104 | 71.5 Ų | 71.5 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | trans | -78.8 | 104.4 | -170.4 | -64.2 | 161.7 | 0 | 0 | 0 | 111.1 | R1464 | L1442-R1464 HydrophobicContact CB-CG 4.13Å; L1442-R1464 WeakPolarHBondContact O-CB 3.29Å; L1442-R1464 WeakPolarHBondContact O-CG 3.34Å; L1442-R1464 PolarHBondContact O-N 2.88Å; L1442-R1464 VanDerWaalsContact O-N 3.09Å | ||
| 1443 | W | 45 | Very low | 42.4 | Very low | 32 Ų | 32 | 72.4 Ų | 72.4 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 135.2 | 175.5 | -58.5 | 69.1 | 0 | 0 | 0 | 110.2 | G1441 V1446 V1459 G1461 Q1470 L1472 S2074 | G1441-W1443 PolarHBondContact O-N 2.85Å; G1441-W1443 VanDerWaalsContact O-N 3.14Å; G1441-W1443 PolarHBondContact O-NE1 3.48Å; W1443-V1446 HydrophobicContact CE3-CB 4.38Å; W1443-V1446 HydrophobicContact CE3-CG1 4.27Å; W1443-V1446 HydrophobicContact CE3-CG2 4Å; W1443-V1446 HydrophobicContact CZ3-CG1 4.08Å; W1443-V1459 HydrophobicContact CE3-CG1 4.36Å; W1443-V1459 HydrophobicContact CH2-CB 3.74Å; W1443-V1459 HydrophobicContact CH2-CG1 3.41Å; W1443-V1459 VanDerWaalsContact CH2-CG1 3.41Å; W1443-V1459 HydrophobicContact CZ2-CB 4.43Å; W1443-V1459 HydrophobicContact CZ2-CG1 4.17Å; W1443-V1459 HydrophobicContact CZ3-CB 4.27Å; W1443-V1459 HydrophobicContact CZ3-CG1 3.48Å; W1443-V1459 VanDerWaalsContact CZ3-CG1 3.48Å; W1443-G1461 VanDerWaalsContact CZ3-CA 3.5Å; W1443-Q1470 WeakPolarHBondContact CH2-O 3.45Å; W1443-Q1470 HydrophobicContact CZ2-CG 4.41Å; W1443-L1472 HydrophobicContact CH2-CB 4.12Å; W1443-L1472 HydrophobicContact CZ2-CB 3.91Å; W1443-L1472 HydrophobicContact CZ2-CD2 4.45Å; W1443-S2074 PolarHBondContact O-OG 3.1Å |
| 1444 | T | 47.5 | Very low | 43.5 | Very low | 38 Ų | 38 | 69.5 Ų | 69.5 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -42.1 | 164.6 | 0.3 | 0 | 0 | 0 | 0 | 110.7 | R1462 R1463 R1464 | T1444-R1462 PolarHBondContact N-O 2.88Å; T1444-R1462 PolarHBondContact OG1-O 2.96Å; T1444-R1463 VanDerWaalsContact OG1-C 3.3Å; T1444-R1463 PolarHBondContact OG1-O 3.06Å; T1444-R1464 HydrophobicContact CG2-CG 4.16Å; T1444-R1464 VanDerWaalsContact OG1-CA 3.25Å; T1444-R1464 WeakPolarHBondContact OG1-CA 3.46Å; T1444-R1464 PolarHBondContact OG1-N 3.33Å |
| 1445 | Q | 51.7 | Low | 44.5 | Very low | 43 Ų | 43 | 64.3 Ų | 64.3 | 20% | 0.201 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 141.5 | -178.6 | -45.9 | -178.2 | -86 | 0 | 0 | 107 | F1447 G1461 R1462 N2121 | Q1445-F1447 HydrophobicContact CB-CE1 4.19Å; Q1445-F1447 HydrophobicContact CB-CZ 4.43Å; Q1445-G1461 CarbonylContact O-C 3.6Å; Q1445-G1461 WeakPolarHBondContact O-CA 3.41Å; Q1445-R1462 PolarHBondContact O-N 3.09Å; Q1445-N2121 VanDerWaalsContact CA-ND2 3.31Å; Q1445-N2121 WeakPolarHBondContact CA-ND2 3.21Å; Q1445-N2121 HydrophobicContact CB-CB 4.15Å; Q1445-N2121 WeakPolarHBondContact CB-ND2 3.19Å; Q1445-N2121 HydrophobicContact CG-CB 4.35Å; Q1445-N2121 VanDerWaalsContact CG-CG 3.5Å; Q1445-N2121 WeakPolarHBondContact CG-OD1 3.49Å; Q1445-N2121 PolarHBondContact NE2-OD1 2.95Å |
| 1446 | V | 51.2 | Low | 45.9 | Very low | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 173.1 | 152 | -157.7 | 0 | 0 | 0 | 0 | 106.6 | W1443 V1459 V1460 D2119 Y2126 | W1443-V1446 HydrophobicContact CE3-CB 4.38Å; W1443-V1446 HydrophobicContact CE3-CG1 4.27Å; W1443-V1446 HydrophobicContact CE3-CG2 4Å; W1443-V1446 HydrophobicContact CZ3-CG1 4.08Å; V1446-V1459 HydrophobicContact CG1-CG1 3.45Å; V1446-V1459 VanDerWaalsContact CG1-CG1 3.45Å; V1446-V1460 VanDerWaalsContact CG1-O 3.26Å; V1446-V1460 WeakPolarHBondContact CG1-O 3.47Å; V1446-D2119 HydrophobicContact CB-CB 3.72Å; V1446-D2119 HydrophobicContact CG2-CB 3.94Å; V1446-D2119 PolarHBondContact N-OD1 3.44Å; V1446-Y2126 HydrophobicContact CB-CE2 4.39Å; V1446-Y2126 HydrophobicContact CG1-CE2 4.17Å; V1446-Y2126 VanDerWaalsContact CG1-OH 3.27Å; V1446-Y2126 WeakPolarHBondContact CG1-OH 3.4Å; V1446-Y2126 HydrophobicContact CG2-CE2 4.27Å |
| 1447 | F | 60.9 | Low | 47.6 | Very low | 11 Ų | 11 | 53.2 Ų | 53.2 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | -33.4 | 169.9 | -61.8 | -60.5 | 0 | 0 | 0 | 112.4 | Q1445 V1460 R1462 L1469 A1567 V1570 | Q1445-F1447 HydrophobicContact CB-CE1 4.19Å; Q1445-F1447 HydrophobicContact CB-CZ 4.43Å; F1447-V1460 PolarHBondContact N-O 3.29Å; F1447-R1462 HydrophobicContact CE2-CB 3.81Å; F1447-R1462 HydrophobicContact CZ-CB 3.83Å; F1447-L1469 HydrophobicContact CD2-CD2 4.3Å; F1447-L1469 HydrophobicContact CE2-CD2 4Å; F1447-A1567 HydrophobicContact CD2-CB 4.29Å; F1447-A1567 HydrophobicContact CE1-CB 4.32Å; F1447-A1567 VanDerWaalsContact CE1-O 3.23Å; F1447-A1567 WeakPolarHBondContact CE1-O 3.29Å; F1447-A1567 HydrophobicContact CE2-CB 3.68Å; F1447-A1567 HydrophobicContact CZ-CB 3.7Å; F1447-A1567 WeakPolarHBondContact CZ-O 3.11Å; F1447-V1570 HydrophobicContact CB-CB 3.68Å; F1447-V1570 HydrophobicContact CB-CG2 3.34Å; F1447-V1570 HydrophobicContact CD2-CG2 4.02Å; F1447-V1570 HydrophobicContact CG-CG2 3.89Å |
| 1448 | S | 58.4 | Low | 49.5 | Very low | 21 Ų | 21 | 48.6 Ų | 48.6 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 161.8 | 173 | -167.1 | 0 | 0 | 0 | 0 | 110.3 | V1460 F1572 | S1448-V1460 PolarHBondContact N-O 3Å; S1448-V1460 PolarHBondContact O-N 2.94Å; S1448-F1572 WeakPolarHBondContact OG-CD2 3.49Å; S1448-F1572 WeakPolarHBondContact OG-CE2 3.39Å |
| 1449 | V | 56.6 | Low | 51.3 | Low | 21 Ų | 21 | 46.4 Ų | 46.4 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.5 | 166.7 | 170.4 | 0 | 0 | 0 | 0 | 108.6 | F1451 L1457 L1458 V1459 Y2126 | V1449-F1451 HydrophobicContact CB-CE2 4.42Å; V1449-F1451 HydrophobicContact CG1-CD2 3.71Å; V1449-F1451 HydrophobicContact CG1-CE2 3.56Å; V1449-F1451 HydrophobicContact CG1-CG 4.41Å; V1449-F1451 HydrophobicContact CG1-CZ 4.17Å; V1449-L1457 HydrophobicContact CG1-CD1 3.55Å; V1449-L1457 HydrophobicContact CG1-CG 4.25Å; V1449-L1458 WeakPolarHBondContact CA-O 3.24Å; V1449-V1459 HydrophobicContact CG2-CB 4.07Å; V1449-V1459 HydrophobicContact CG2-CG1 3.73Å; V1449-V1459 HydrophobicContact CG2-CG2 4Å; V1449-Y2126 HydrophobicContact CB-CD1 3.65Å; V1449-Y2126 HydrophobicContact CB-CE1 3.5Å; V1449-Y2126 VanDerWaalsContact CB-CE1 3.5Å; V1449-Y2126 HydrophobicContact CB-CG 4.37Å; V1449-Y2126 HydrophobicContact CG1-CD1 4.39Å; V1449-Y2126 HydrophobicContact CG2-CD1 3.58Å; V1449-Y2126 HydrophobicContact CG2-CD2 3.98Å; V1449-Y2126 HydrophobicContact CG2-CE1 3.32Å; V1449-Y2126 HydrophobicContact CG2-CE2 3.73Å; V1449-Y2126 HydrophobicContact CG2-CG 3.91Å |
| 1450 | W | 63.2 | Low | 53.4 | Low | 27 Ų | 27 | 40.4 Ų | 40.4 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.6 | 161.2 | 174.4 | 79.4 | 0 | 0 | 0 | 109.3 | G1452 L1458 F1572 K1574 D1575 G1576 F1595 | W1450-G1452 VanDerWaalsContact CH2-CA 3.44Å; W1450-L1458 HydrophobicContact CB-CB 4.33Å; W1450-L1458 HydrophobicContact CE3-CB 3.9Å; W1450-L1458 PolarHBondContact N-O 3.14Å; W1450-L1458 PolarHBondContact O-N 3.31Å; W1450-F1572 HydrophobicContact CB-CB 4.14Å; W1450-F1572 HydrophobicContact CB-CD1 4.05Å; W1450-F1572 HydrophobicContact CB-CD2 3.71Å; W1450-F1572 HydrophobicContact CB-CE1 4.37Å; W1450-F1572 HydrophobicContact CB-CE2 4.03Å; W1450-F1572 HydrophobicContact CB-CG 3.71Å; W1450-F1572 HydrophobicContact CB-CZ 4.35Å; W1450-K1574 PolarHBondContact NE1-O 3Å; W1450-D1575 WeakPolarHBondContact CZ2-O 3.29Å; W1450-G1576 VanDerWaalsContact CE2-CA 3.41Å; W1450-G1576 VanDerWaalsContact CE2-N 3.32Å; W1450-F1595 HydrophobicContact CH2-CE2 4.08Å; W1450-F1595 AromaticContact CH2-CZ 3.75Å; W1450-F1595 HydrophobicContact CH2-CZ 3.75Å; W1450-F1595 HydrophobicContact CZ3-CE2 4.34Å; W1450-F1595 AromaticContact CZ3-CZ 3.95Å; W1450-F1595 HydrophobicContact CZ3-CZ 3.95Å |
| 1451 | F | 56 | Low | 54.8 | Low | 89 Ų | 89 | 35.2 Ų | 35.2 | 39% | 0.39 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.6 | 164.2 | -72.3 | -93.5 | 0 | 0 | 0 | 107.4 | V1449 S1456 L1457 F2128 | V1449-F1451 HydrophobicContact CB-CE2 4.42Å; V1449-F1451 HydrophobicContact CG1-CD2 3.71Å; V1449-F1451 HydrophobicContact CG1-CE2 3.56Å; V1449-F1451 HydrophobicContact CG1-CG 4.41Å; V1449-F1451 HydrophobicContact CG1-CZ 4.17Å; F1451-S1456 WeakPolarHBondContact CA-O 3.46Å; F1451-L1457 HydrophobicContact CD1-CD1 3.68Å; F1451-L1457 HydrophobicContact CE1-CD1 3.34Å; F1451-L1457 HydrophobicContact CE2-CD1 4.23Å; F1451-L1457 HydrophobicContact CG-CD1 4.27Å; F1451-L1457 HydrophobicContact CZ-CD1 3.66Å; F1451-F2128 HydrophobicContact CE1-CD1 4.28Å; F1451-F2128 HydrophobicContact CE1-CE1 4.34Å |
| 1452 | G | 55.3 | Low | 56.1 | Low | 13 Ų | 13 | 36.6 Ų | 36.6 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -96.1 | 170.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W1450 S1456 | W1450-G1452 VanDerWaalsContact CH2-CA 3.44Å; G1452-S1456 WeakPolarHBondContact CA-OG 3.38Å; G1452-S1456 PolarHBondContact N-O 3.42Å; G1452-S1456 PolarHBondContact O-OG 2.88Å |
| 1453 | E | 48.4 | Very low | 56.7 | Low | 142 Ų | 142 | 35.7 Ų | 35.7 | 66% | 0.664 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -57 | 143.2 | 177.7 | -56.1 | 174 | 160.4 | 0 | 0 | 111.2 | S1456 | E1453-S1456 PolarHBondContact O-OG 3.41Å; E1453-S1456 VanDerWaalsContact O-OG 3.1Å |
| 1454 | H | 47 | Very low | 57.1 | Low | 98 Ų | 98 | 38.5 Ų | 38.5 | 45% | 0.454 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 53.4 | 179 | -43 | -93.9 | 0 | 0 | 0 | 114.3 | S1456 K1476 Q1477 | H1454-S1456 VanDerWaalsContact C-N 3.32Å; H1454-S1456 PolarHBondContact O-N 3.43Å; H1454-K1476 HydrophobicContact CB-CG 4.15Å; H1454-K1476 WeakPolarHBondContact CD2-CE 3.44Å; H1454-K1476 PolarHBondContact CD2-NZ 2.77Å; H1454-Q1477 PolarHBondContact O-N 2.91Å |
| 1455 | G | 48.7 | Very low | 57.3 | Low | 36 Ų | 36 | 44.7 Ų | 44.7 | 37% | 0.371 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 10.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1456 | S | 53.5 | Low | 57.4 | Low | 8 Ų | 8 | 43.9 Ų | 43.9 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | trans | -71 | 139.2 | 170.8 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | F1451 G1452 E1453 H1454 R1474 | F1451-S1456 WeakPolarHBondContact CA-O 3.46Å; G1452-S1456 WeakPolarHBondContact CA-OG 3.38Å; G1452-S1456 PolarHBondContact N-O 3.42Å; G1452-S1456 PolarHBondContact O-OG 2.88Å; E1453-S1456 PolarHBondContact O-OG 3.41Å; E1453-S1456 VanDerWaalsContact O-OG 3.1Å; H1454-S1456 VanDerWaalsContact C-N 3.32Å; H1454-S1456 PolarHBondContact O-N 3.43Å; S1456-R1474 WeakPolarHBondContact CA-O 3.46Å | ||
| 1457 | L | 61.4 | Low | 57.8 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139 | -173.6 | -172.9 | 88.1 | 0 | 0 | 0 | 110 | V1449 F1451 V1459 F1473 R1474 F1492 F2128 | V1449-L1457 HydrophobicContact CG1-CD1 3.55Å; V1449-L1457 HydrophobicContact CG1-CG 4.25Å; F1451-L1457 HydrophobicContact CD1-CD1 3.68Å; F1451-L1457 HydrophobicContact CE1-CD1 3.34Å; F1451-L1457 HydrophobicContact CE2-CD1 4.23Å; F1451-L1457 HydrophobicContact CG-CD1 4.27Å; F1451-L1457 HydrophobicContact CZ-CD1 3.66Å; L1457-V1459 HydrophobicContact CD2-CG2 3.51Å; L1457-V1459 HydrophobicContact CG-CG2 4Å; L1457-F1473 CarbonylContact O-C 3.43Å; L1457-F1473 VanDerWaalsContact O-CA 3.3Å; L1457-F1473 WeakPolarHBondContact O-CA 3.45Å; L1457-F1473 WeakPolarHBondContact O-CD2 3.37Å; L1457-R1474 HydrophobicContact CB-CB 3.77Å; L1457-R1474 PolarHBondContact N-O 3.18Å; L1457-R1474 PolarHBondContact O-N 3.24Å; L1457-F1492 HydrophobicContact CD2-CE1 3.88Å; L1457-F2128 HydrophobicContact CD1-CE1 3.71Å; L1457-F2128 HydrophobicContact CD1-CZ 3.7Å; L1457-F2128 HydrophobicContact CD2-CE1 3.78Å; L1457-F2128 HydrophobicContact CD2-CZ 3.61Å; L1457-F2128 HydrophobicContact CG-CE1 4.29Å; L1457-F2128 HydrophobicContact CG-CZ 4.31Å |
| 1458 | L | 66 | Low | 58 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 108.4 | 168.1 | -177.1 | 80.6 | 0 | 0 | 0 | 110.5 | V1449 W1450 F1471 L1472 F1473 F1572 L1593 L1600 | V1449-L1458 WeakPolarHBondContact CA-O 3.24Å; W1450-L1458 HydrophobicContact CB-CB 4.33Å; W1450-L1458 HydrophobicContact CE3-CB 3.9Å; W1450-L1458 PolarHBondContact N-O 3.14Å; W1450-L1458 PolarHBondContact O-N 3.31Å; L1458-F1471 HydrophobicContact CD1-CD1 4.37Å; L1458-L1472 WeakPolarHBondContact CA-O 3.24Å; L1458-F1473 HydrophobicContact CB-CD2 4.44Å; L1458-F1473 HydrophobicContact CD1-CB 3.98Å; L1458-F1473 HydrophobicContact CD1-CD2 3.94Å; L1458-F1473 HydrophobicContact CD1-CG 4.43Å; L1458-F1572 HydrophobicContact CD2-CD1 4.18Å; L1458-F1572 HydrophobicContact CD2-CE1 3.43Å; L1458-F1572 VanDerWaalsContact CD2-CE1 3.43Å; L1458-F1572 HydrophobicContact CD2-CZ 4Å; L1458-F1572 HydrophobicContact CG-CE1 4.31Å; L1458-F1572 HydrophobicContact CG-CZ 4.42Å; L1458-L1593 HydrophobicContact CD1-CD1 4.38Å; L1458-L1593 HydrophobicContact CD2-CD1 3.19Å; L1458-L1593 HydrophobicContact CG-CD1 4.4Å; L1458-L1600 HydrophobicContact CD1-CD2 4.13Å |
| 1459 | V | 66.5 | Low | 58.6 | Low | 13 Ų | 13 | 44.6 Ų | 44.6 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.6 | 176.1 | -164.9 | 0 | 0 | 0 | 0 | 109.6 | W1443 V1446 V1449 L1457 F1471 L1472 | W1443-V1459 HydrophobicContact CE3-CG1 4.36Å; W1443-V1459 HydrophobicContact CH2-CB 3.74Å; W1443-V1459 HydrophobicContact CH2-CG1 3.41Å; W1443-V1459 VanDerWaalsContact CH2-CG1 3.41Å; W1443-V1459 HydrophobicContact CZ2-CB 4.43Å; W1443-V1459 HydrophobicContact CZ2-CG1 4.17Å; W1443-V1459 HydrophobicContact CZ3-CB 4.27Å; W1443-V1459 HydrophobicContact CZ3-CG1 3.48Å; W1443-V1459 VanDerWaalsContact CZ3-CG1 3.48Å; V1446-V1459 HydrophobicContact CG1-CG1 3.45Å; V1446-V1459 VanDerWaalsContact CG1-CG1 3.45Å; V1449-V1459 HydrophobicContact CG2-CB 4.07Å; V1449-V1459 HydrophobicContact CG2-CG1 3.73Å; V1449-V1459 HydrophobicContact CG2-CG2 4Å; L1457-V1459 HydrophobicContact CD2-CG2 3.51Å; L1457-V1459 HydrophobicContact CG-CG2 4Å; V1459-F1471 CarbonylContact O-C 3.53Å; V1459-F1471 VanDerWaalsContact O-CA 3.31Å; V1459-F1471 WeakPolarHBondContact O-CA 3.46Å; V1459-L1472 HydrophobicContact CB-CB 4.01Å; V1459-L1472 HydrophobicContact CG2-CB 4.16Å; V1459-L1472 HydrophobicContact CG2-CD2 4.15Å; V1459-L1472 PolarHBondContact N-O 2.81Å; V1459-L1472 PolarHBondContact O-N 2.99Å |
| 1460 | V | 70.4 | Confident | 59.2 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.5 | 171.8 | 170 | 0 | 0 | 0 | 0 | 110.9 | V1446 F1447 S1448 Q1470 F1471 V1570 F1572 I1581 | V1446-V1460 VanDerWaalsContact CG1-O 3.26Å; V1446-V1460 WeakPolarHBondContact CG1-O 3.47Å; F1447-V1460 PolarHBondContact N-O 3.29Å; S1448-V1460 PolarHBondContact N-O 3Å; S1448-V1460 PolarHBondContact O-N 2.94Å; V1460-Q1470 WeakPolarHBondContact CA-O 3.47Å; V1460-F1471 HydrophobicContact CG2-CD1 3.38Å; V1460-F1471 HydrophobicContact CG2-CE1 3.43Å; V1460-F1471 VanDerWaalsContact CG2-CE1 3.43Å; V1460-F1471 HydrophobicContact CG2-CG 3.96Å; V1460-F1471 HydrophobicContact CG2-CZ 4.06Å; V1460-V1570 HydrophobicContact CB-CG1 4.47Å; V1460-V1570 HydrophobicContact CG1-CG1 4.25Å; V1460-V1570 HydrophobicContact CG1-CG2 4.21Å; V1460-F1572 HydrophobicContact CB-CZ 3.94Å; V1460-F1572 HydrophobicContact CG2-CE1 4.05Å; V1460-F1572 HydrophobicContact CG2-CZ 3.62Å; V1460-I1581 HydrophobicContact CG1-CD1 4.24Å |
| 1461 | G | 64.8 | Low | 59.6 | Low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -169.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W1443 Q1445 L1469 Q1470 | W1443-G1461 VanDerWaalsContact CZ3-CA 3.5Å; Q1445-G1461 CarbonylContact O-C 3.6Å; Q1445-G1461 WeakPolarHBondContact O-CA 3.41Å; G1461-L1469 CarbonylContact O-C 3.52Å; G1461-L1469 WeakPolarHBondContact O-CA 3.31Å; G1461-Q1470 PolarHBondContact N-O 2.89Å; G1461-Q1470 VanDerWaalsContact N-O 3.09Å; G1461-Q1470 PolarHBondContact O-N 3.11Å |
| 1462 | R | 63.2 | Low | 60.1 | Low | 51 Ų | 51 | 39 Ų | 39 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.9 | -175.9 | -163.9 | 170.4 | 78.9 | 111 | -5.7 | 111.5 | T1444 Q1445 F1447 S1466 | T1444-R1462 PolarHBondContact N-O 2.88Å; T1444-R1462 PolarHBondContact OG1-O 2.96Å; Q1445-R1462 PolarHBondContact O-N 3.09Å; F1447-R1462 HydrophobicContact CE2-CB 3.81Å; F1447-R1462 HydrophobicContact CZ-CB 3.83Å; R1462-S1466 WeakPolarHBondContact CD-O 3.32Å; R1462-S1466 WeakPolarHBondContact CG-O 3.31Å; R1462-S1466 PolarHBondContact NH1-O 2.89Å |
| 1463 | R | 55.6 | Low | 60.6 | Low | 85 Ų | 85 | 38.5 Ų | 38.5 | 32% | 0.321 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 139.9 | 174.7 | -174.1 | 170 | 168 | 174.1 | -3.1 | 110.7 | T1444 H1465 S1466 D1468 | T1444-R1463 VanDerWaalsContact OG1-C 3.3Å; T1444-R1463 PolarHBondContact OG1-O 3.06Å; R1463-H1465 PolarHBondContact O-N 3.25Å; R1463-S1466 PolarHBondContact O-N 2.87Å; R1463-S1466 VanDerWaalsContact O-N 3.12Å; R1463-S1466 PolarHBondContact O-OG 3.03Å; R1463-S1466 VanDerWaalsContact O-OG 3.05Å; R1463-D1468 PolarHBondContact N-O 3Å |
| 1464 | R | 52.5 | Low | 61.2 | Low | 90 Ų | 90 | 34.3 Ų | 34.3 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | 126.4 | -176 | -99.4 | -170.4 | -166.7 | 176.3 | 12.3 | 113.2 | L1442 T1444 S1466 S2074 G2075 | L1442-R1464 HydrophobicContact CB-CG 4.13Å; L1442-R1464 WeakPolarHBondContact O-CB 3.29Å; L1442-R1464 WeakPolarHBondContact O-CG 3.34Å; L1442-R1464 PolarHBondContact O-N 2.88Å; L1442-R1464 VanDerWaalsContact O-N 3.09Å; T1444-R1464 HydrophobicContact CG2-CG 4.16Å; T1444-R1464 VanDerWaalsContact OG1-CA 3.25Å; T1444-R1464 WeakPolarHBondContact OG1-CA 3.46Å; T1444-R1464 PolarHBondContact OG1-N 3.33Å; R1464-S1466 VanDerWaalsContact C-N 3.26Å; R1464-S1466 PolarHBondContact O-N 2.85Å; R1464-S2074 PolarHBondContact NE-O 3.01Å; R1464-S2074 PolarHBondContact NH2-O 2.74Å; R1464-G2075 VanDerWaalsContact NH2-CA 3.28Å |
| 1465 | H | 51.8 | Low | 61.7 | Low | 169 Ų | 169 | 30.7 Ų | 30.7 | 78% | 0.782 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 19.1 | 177.5 | -52.4 | -83.5 | 0 | 0 | 0 | 117 | R1463 | R1463-H1465 PolarHBondContact O-N 3.25Š|
| 1466 | S | 54.6 | Low | 62 | Low | 26 Ų | 26 | 31.9 Ų | 31.9 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -117.3 | 167.2 | 178.3 | 78.4 | 0 | 0 | 0 | 0 | 113.9 | R1462 R1463 R1464 D1468 | R1462-S1466 WeakPolarHBondContact CD-O 3.32Å; R1462-S1466 WeakPolarHBondContact CG-O 3.31Å; R1462-S1466 PolarHBondContact NH1-O 2.89Å; R1463-S1466 PolarHBondContact O-N 2.87Å; R1463-S1466 VanDerWaalsContact O-N 3.12Å; R1463-S1466 PolarHBondContact O-OG 3.03Å; R1463-S1466 VanDerWaalsContact O-OG 3.05Å; R1464-S1466 VanDerWaalsContact C-N 3.26Å; R1464-S1466 PolarHBondContact O-N 2.85Å; S1466-D1468 WeakPolarHBondContact OG-CB 3.45Å; S1466-D1468 PolarHBondContact OG-N 3.17Å |
| 1467 | S | 60.2 | Low | 61.8 | Low | 53 Ų | 53 | 36.1 Ų | 36.1 | 37% | 0.371 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -81.2 | 2.8 | 162.8 | 47.4 | 0 | 0 | 0 | 0 | 113 | P1499 | S1467-P1499 WeakPolarHBondContact O-CD 3.46Š|
| 1468 | D | 64.9 | Low | 60.8 | Low | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.059 | 19% | 0.192 | C | C | . | . | trans | -97.6 | 126.8 | -157.7 | -57 | 5 | 0 | 0 | 0 | 108.8 | R1463 S1466 T1496 R1498 | R1463-D1468 PolarHBondContact N-O 3Å; S1466-D1468 WeakPolarHBondContact OG-CB 3.45Å; S1466-D1468 PolarHBondContact OG-N 3.17Å; D1468-T1496 HydrophobicContact CB-CG2 3.86Å; D1468-R1498 HydrophobicContact CB-CG 4.32Å; D1468-R1498 IonicContact OD1-NE 2.91Å; D1468-R1498 WeakPolarHBondContact OD2-CG 3.15Å; D1468-R1498 IonicContact OD2-CZ 3.12Å; D1468-R1498 IonicContact OD2-NE 2.69Å; D1468-R1498 PolarHBondContact OD2-NE 2.89Å; D1468-R1498 IonicContact OD2-NH2 2.71Å; D1468-R1498 PolarHBondContact OD2-NH2 3.47Å | ||
| 1469 | L | 71.1 | Confident | 59.4 | Low | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 134.5 | -176.2 | -68.4 | 163.4 | 0 | 0 | 0 | 109.5 | F1447 G1461 F1471 T1496 I1497 P1499 A1567 I1581 | F1447-L1469 HydrophobicContact CD2-CD2 4.3Å; F1447-L1469 HydrophobicContact CE2-CD2 4Å; G1461-L1469 CarbonylContact O-C 3.52Å; G1461-L1469 WeakPolarHBondContact O-CA 3.31Å; L1469-F1471 HydrophobicContact CB-CE2 4.08Å; L1469-T1496 CarbonylContact O-C 3.57Å; L1469-T1496 WeakPolarHBondContact O-CA 3.49Å; L1469-I1497 PolarHBondContact N-O 3.47Å; L1469-I1497 PolarHBondContact O-N 3.37Å; L1469-P1499 HydrophobicContact CD1-CG 4.03Å; L1469-P1499 HydrophobicContact CG-CG 4.38Å; L1469-A1567 HydrophobicContact CD2-CB 4.2Å; L1469-I1581 HydrophobicContact CD1-CD1 3.62Å; L1469-I1581 HydrophobicContact CD1-CG2 4.32Å; L1469-I1581 HydrophobicContact CD2-CD1 4.29Å; L1469-I1581 HydrophobicContact CD2-CG2 4.38Å |
| 1470 | Q | 69.1 | Low | 57.8 | Low | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.7 | -179.5 | -163.6 | 159.4 | 6.7 | 0 | 0 | 108.6 | W1443 V1460 G1461 E1494 | W1443-Q1470 WeakPolarHBondContact CH2-O 3.45Å; W1443-Q1470 HydrophobicContact CZ2-CG 4.41Å; V1460-Q1470 WeakPolarHBondContact CA-O 3.47Å; G1461-Q1470 PolarHBondContact N-O 2.89Å; G1461-Q1470 VanDerWaalsContact N-O 3.09Å; G1461-Q1470 PolarHBondContact O-N 3.11Å; Q1470-E1494 HydrophobicContact CG-CG 4.21Å; Q1470-E1494 PolarHBondContact NE2-OE1 3.06Å |
| 1471 | F | 70.6 | Confident | 56 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 129.8 | 174.8 | -69.1 | -108.4 | 0 | 0 | 0 | 107.9 | L1458 V1459 V1460 L1469 E1494 I1495 I1497 V1579 I1581 L1593 I1603 | L1458-F1471 HydrophobicContact CD1-CD1 4.37Å; V1459-F1471 CarbonylContact O-C 3.53Å; V1459-F1471 VanDerWaalsContact O-CA 3.31Å; V1459-F1471 WeakPolarHBondContact O-CA 3.46Å; V1460-F1471 HydrophobicContact CG2-CD1 3.38Å; V1460-F1471 HydrophobicContact CG2-CE1 3.43Å; V1460-F1471 VanDerWaalsContact CG2-CE1 3.43Å; V1460-F1471 HydrophobicContact CG2-CG 3.96Å; V1460-F1471 HydrophobicContact CG2-CZ 4.06Å; L1469-F1471 HydrophobicContact CB-CE2 4.08Å; F1471-E1494 WeakPolarHBondContact O-CA 3.44Å; F1471-I1495 HydrophobicContact CB-CB 4.39Å; F1471-I1495 PolarHBondContact N-O 3.46Å; F1471-I1495 PolarHBondContact O-N 3.36Å; F1471-I1497 HydrophobicContact CD2-CD1 4.4Å; F1471-I1497 HydrophobicContact CE2-CB 4.4Å; F1471-I1497 HydrophobicContact CE2-CD1 4.23Å; F1471-V1579 HydrophobicContact CE1-CG2 4.36Å; F1471-I1581 HydrophobicContact CZ-CD1 4.33Å; F1471-L1593 HydrophobicContact CD1-CD2 4.39Å; F1471-L1593 HydrophobicContact CE1-CD1 4.46Å; F1471-L1593 HydrophobicContact CE1-CD2 3.96Å; F1471-I1603 HydrophobicContact CB-CD1 4.36Å; F1471-I1603 HydrophobicContact CD1-CD1 3.82Å; F1471-I1603 HydrophobicContact CD2-CD1 4.15Å; F1471-I1603 HydrophobicContact CE1-CD1 4.12Å; F1471-I1603 HydrophobicContact CE2-CD1 4.43Å; F1471-I1603 HydrophobicContact CG-CD1 3.86Å; F1471-I1603 HydrophobicContact CZ-CD1 4.42Å |
| 1472 | L | 66.4 | Low | 54.2 | Low | 15 Ų | 15 | 61.7 Ų | 61.7 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.7 | 173.4 | -170.6 | 80.9 | 0 | 0 | 0 | 108.9 | W1443 L1458 V1459 F1492 Q1493 E1494 | W1443-L1472 HydrophobicContact CH2-CB 4.12Å; W1443-L1472 HydrophobicContact CZ2-CB 3.91Å; W1443-L1472 HydrophobicContact CZ2-CD2 4.45Å; L1458-L1472 WeakPolarHBondContact CA-O 3.24Å; V1459-L1472 HydrophobicContact CB-CB 4.01Å; V1459-L1472 HydrophobicContact CG2-CB 4.16Å; V1459-L1472 HydrophobicContact CG2-CD2 4.15Å; V1459-L1472 PolarHBondContact N-O 2.81Å; V1459-L1472 PolarHBondContact O-N 2.99Å; L1472-F1492 HydrophobicContact CD1-CB 3.81Å; L1472-F1492 HydrophobicContact CD1-CD1 4.46Å; L1472-F1492 HydrophobicContact CD1-CG 4.4Å; L1472-F1492 HydrophobicContact CD2-CD1 3.84Å; L1472-F1492 HydrophobicContact CD2-CE1 4.24Å; L1472-F1492 HydrophobicContact CD2-CG 4.34Å; L1472-F1492 HydrophobicContact CG-CB 4.15Å; L1472-F1492 HydrophobicContact CG-CD1 3.89Å; L1472-F1492 HydrophobicContact CG-CG 4.32Å; L1472-Q1493 WeakPolarHBondContact CA-O 3.49Å; L1472-E1494 HydrophobicContact CD1-CB 3.93Å; L1472-E1494 HydrophobicContact CD1-CG 4.22Å |
| 1473 | F | 67.2 | Low | 52.6 | Low | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.8 | -177.9 | 179.6 | -109.1 | 0 | 0 | 0 | 111.5 | L1457 L1458 P1475 F1492 Q1493 F1595 L1600 | L1457-F1473 CarbonylContact O-C 3.43Å; L1457-F1473 VanDerWaalsContact O-CA 3.3Å; L1457-F1473 WeakPolarHBondContact O-CA 3.45Å; L1457-F1473 WeakPolarHBondContact O-CD2 3.37Å; L1458-F1473 HydrophobicContact CB-CD2 4.44Å; L1458-F1473 HydrophobicContact CD1-CB 3.98Å; L1458-F1473 HydrophobicContact CD1-CD2 3.94Å; L1458-F1473 HydrophobicContact CD1-CG 4.43Å; F1473-P1475 HydrophobicContact CE1-CB 4.06Å; F1473-F1492 CarbonylContact O-C 3.56Å; F1473-F1492 WeakPolarHBondContact O-CA 3.47Å; F1473-Q1493 HydrophobicContact CB-CB 4.34Å; F1473-Q1493 PolarHBondContact N-O 3.49Å; F1473-Q1493 PolarHBondContact O-N 3.28Å; F1473-F1595 HydrophobicContact CE1-CB 4.23Å; F1473-F1595 HydrophobicContact CE2-CB 4.11Å; F1473-F1595 HydrophobicContact CE2-CD1 4.38Å; F1473-F1595 HydrophobicContact CE2-CD2 4.12Å; F1473-F1595 AromaticContact CE2-CG 3.96Å; F1473-F1595 HydrophobicContact CE2-CG 3.96Å; F1473-F1595 HydrophobicContact CZ-CB 3.7Å; F1473-F1595 AromaticContact CZ-CD2 3.99Å; F1473-F1595 HydrophobicContact CZ-CD2 3.99Å; F1473-F1595 AromaticContact CZ-CG 3.92Å; F1473-F1595 HydrophobicContact CZ-CG 3.92Å; F1473-L1600 HydrophobicContact CB-CB 4.2Å; F1473-L1600 HydrophobicContact CB-CD2 3.92Å; F1473-L1600 HydrophobicContact CD1-CB 3.7Å; F1473-L1600 HydrophobicContact CE1-CB 4.16Å; F1473-L1600 HydrophobicContact CG-CB 3.92Å; F1473-L1600 HydrophobicContact CG-CD2 4.29Å |
| 1474 | R | 60.9 | Low | 51.3 | Low | 54 Ų | 54 | 69.6 Ų | 69.6 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.4 | 163.9 | -172.6 | -177.5 | 172.6 | 178.1 | -6 | 107.5 | S1456 L1457 Q1477 F1492 | S1456-R1474 WeakPolarHBondContact CA-O 3.46Å; L1457-R1474 HydrophobicContact CB-CB 3.77Å; L1457-R1474 PolarHBondContact N-O 3.18Å; L1457-R1474 PolarHBondContact O-N 3.24Å; R1474-Q1477 VanDerWaalsContact NH2-CD 3.33Å; R1474-Q1477 VanDerWaalsContact NH2-OE1 3.15Å; R1474-F1492 HydrophobicContact CB-CD1 3.9Å; R1474-F1492 HydrophobicContact CB-CE1 3.8Å; R1474-F1492 HydrophobicContact CG-CE1 4.25Å |
| 1475 | P | 56.9 | Low | 50.1 | Low | 23 Ų | 23 | 73 Ų | 73 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | trans | -63.1 | 163.9 | 175.7 | 24.9 | -32.6 | 0 | 0 | 0 | 112.6 | F1473 D1597 S1598 | F1473-P1475 HydrophobicContact CE1-CB 4.06Å; P1475-D1597 WeakPolarHBondContact CB-O 3.41Å; P1475-S1598 WeakPolarHBondContact CB-O 3.22Å | ||
| 1476 | K | 54.7 | Low | 49.1 | Very low | 60 Ų | 60 | 71.8 Ų | 71.8 | 26% | 0.261 | 40% | 0.403 | S | S | . | . | trans | -64.7 | 136.6 | 178.6 | -175.4 | 169.4 | -178.8 | 166.3 | 0 | 109.9 | H1454 L1478 D1597 | H1454-K1476 HydrophobicContact CB-CG 4.15Å; H1454-K1476 WeakPolarHBondContact CD2-CE 3.44Å; H1454-K1476 PolarHBondContact CD2-NZ 2.77Å; K1476-L1478 PolarHBondContact O-N 3.28Å; K1476-D1597 PolarHBondContact N-O 2.67Å | ||
| 1477 | Q | 50 | Low | 47.8 | Very low | 97 Ų | 97 | 79.6 Ų | 79.6 | 45% | 0.453 | 44% | 0.436 | S | S | . | . | trans | -79.2 | 92.5 | 171.3 | -74 | -170.9 | -67 | 0 | 0 | 109 | H1454 R1474 S1479 | H1454-Q1477 PolarHBondContact O-N 2.91Å; R1474-Q1477 VanDerWaalsContact NH2-CD 3.33Å; R1474-Q1477 VanDerWaalsContact NH2-OE1 3.15Å; Q1477-S1479 PolarHBondContact O-N 2.92Å | ||
| 1478 | L | 39.8 | Very low | 46.5 | Very low | 99 Ų | 99 | 83.1 Ų | 83.1 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | trans | -66.7 | 107.4 | 171.4 | -81.8 | 167.6 | 0 | 0 | 0 | 110.3 | K1476 N1480 D1597 | K1476-L1478 PolarHBondContact O-N 3.28Å; L1478-N1480 PolarHBondContact O-N 3Å; L1478-D1597 HydrophobicContact CD1-CB 3.79Å; L1478-D1597 HydrophobicContact CG-CB 4.38Å | ||
| 1479 | S | 36.1 | Very low | 45.2 | Very low | 97 Ų | 97 | 88.2 Ų | 88.2 | 68% | 0.678 | 49% | 0.487 | S | S | * | . | trans | -70.6 | 75.5 | 163.6 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | Q1477 N1481 | Q1477-S1479 PolarHBondContact O-N 2.92Å; S1479-N1481 PolarHBondContact O-N 2.96Å | ||
| 1480 | N | 33.1 | Very low | 43.6 | Very low | 137 Ų | 137 | 91.6 Ų | 91.6 | 73% | 0.733 | 51% | 0.51 | S | S | * | . | trans | -69.5 | 93.2 | 176.7 | -92.8 | 10.1 | 0 | 0 | 0 | 110.9 | L1478 G1482 | L1478-N1480 PolarHBondContact O-N 3Å; N1480-G1482 PolarHBondContact O-N 2.72Å; N1480-G1482 VanDerWaalsContact O-N 3.14Å | ||
| 1481 | N | 31.6 | Very low | 42.4 | Very low | 160 Ų | 160 | 95.2 Ų | 95.2 | 86% | 0.856 | 54% | 0.536 | S | S | * | . | trans | -60.3 | 110.7 | 167.2 | -70.8 | -11.3 | 0 | 0 | 0 | 110.1 | S1479 | S1479-N1481 PolarHBondContact O-N 2.96Š| ||
| 1482 | G | 28.7 | Very low | 41.5 | Very low | 61 Ų | 61 | 99 Ų | 99 | 63% | 0.629 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 90.8 | 116 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | N1480 | N1480-G1482 PolarHBondContact O-N 2.72Å; N1480-G1482 VanDerWaalsContact O-N 3.14Å |
| 1483 | N | 28 | Very low | 41 | Very low | 159 Ų | 159 | 100.5 Ų | 100.5 | 85% | 0.85 | 56% | 0.559 | S | S | * | * | trans | 69.1 | 141.1 | 158.7 | -63.5 | -44.5 | 0 | 0 | 0 | 120 | ||||
| 1484 | N | 29.8 | Very low | 40.7 | Very low | 142 Ų | 142 | 103.6 Ų | 103.6 | 76% | 0.759 | 57% | 0.573 | S | S | * | * | trans | 78.8 | 73.9 | 165.9 | -54.4 | -54.7 | 0 | 0 | 0 | 119.1 | N1486 | N1484-N1486 PolarHBondContact O-N 3.27Å; N1484-N1486 VanDerWaalsContact O-N 3.14Å | ||
| 1485 | N | 27.2 | Very low | 40.9 | Very low | 161 Ų | 161 | 101.9 Ų | 101.9 | 86% | 0.861 | 57% | 0.568 | S | S | * | * | trans | 32.2 | 71.6 | 130.3 | -61.1 | -3.8 | 0 | 0 | 0 | 117.8 | ||||
| 1486 | N | 30.6 | Very low | 41.2 | Very low | 145 Ų | 145 | 103 Ų | 103 | 78% | 0.775 | 57% | 0.574 | S | S | * | * | trans | -155.9 | 93.2 | 153.7 | -86.8 | -57.5 | 0 | 0 | 0 | 108.9 | N1484 T1488 | N1484-N1486 PolarHBondContact O-N 3.27Å; N1484-N1486 VanDerWaalsContact O-N 3.14Å; N1486-T1488 VanDerWaalsContact C-N 3.34Å; N1486-T1488 PolarHBondContact O-N 2.81Å | ||
| 1487 | E | 27.9 | Very low | 41.8 | Very low | 190 Ų | 190 | 101 Ų | 101 | 89% | 0.888 | 57% | 0.567 | S | S | * | * | trans | -67.9 | 93.1 | 169.2 | -68 | 178.9 | 158.6 | 0 | 0 | 109 | T1489 | E1487-T1489 PolarHBondContact O-N 2.7Š| ||
| 1488 | T | 32.9 | Very low | 42.5 | Very low | 126 Ų | 126 | 98.6 Ų | 98.6 | 77% | 0.773 | 55% | 0.553 | S | S | * | * | trans | -72.5 | 90.7 | 179.7 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | N1486 C1490 | N1486-T1488 VanDerWaalsContact C-N 3.34Å; N1486-T1488 PolarHBondContact O-N 2.81Å; T1488-C1490 PolarHBondContact O-N 3.35Å | ||
| 1489 | T | 36.3 | Very low | 43.6 | Very low | 118 Ų | 118 | 94 Ų | 94 | 72% | 0.724 | 53% | 0.529 | S | S | * | . | trans | -55.6 | 121 | -176.7 | 43.9 | 0 | 0 | 0 | 0 | 111.7 | E1487 S1491 | E1487-T1489 PolarHBondContact O-N 2.7Å; T1489-S1491 PolarHBondContact O-N 2.8Å; T1489-S1491 PolarHBondContact O-OG 2.71Å | ||
| 1490 | C | 37.3 | Very low | 44.8 | Very low | 74 Ų | 74 | 91.4 Ų | 91.4 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | trans | -60.7 | 104.2 | -175.3 | -75.3 | 0 | 0 | 0 | 0 | 110.8 | T1488 | T1488-C1490 PolarHBondContact O-N 3.35Š| ||
| 1491 | S | 44.2 | Very low | 45.9 | Very low | 78 Ų | 78 | 88 Ų | 88 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | trans | -121.4 | 128.2 | -179.1 | 39.2 | 0 | 0 | 0 | 0 | 109.9 | T1489 | T1489-S1491 PolarHBondContact O-N 2.8Å; T1489-S1491 PolarHBondContact O-OG 2.71Å | ||
| 1492 | F | 51.3 | Low | 46.5 | Very low | 81 Ų | 81 | 86.1 Ų | 86.1 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | trans | -74.9 | 136.4 | 174.5 | -69.3 | -86.6 | 0 | 0 | 0 | 110.4 | L1457 L1472 F1473 R1474 | L1457-F1492 HydrophobicContact CD2-CE1 3.88Å; L1472-F1492 HydrophobicContact CD1-CB 3.81Å; L1472-F1492 HydrophobicContact CD1-CD1 4.46Å; L1472-F1492 HydrophobicContact CD1-CG 4.4Å; L1472-F1492 HydrophobicContact CD2-CD1 3.84Å; L1472-F1492 HydrophobicContact CD2-CE1 4.24Å; L1472-F1492 HydrophobicContact CD2-CG 4.34Å; L1472-F1492 HydrophobicContact CG-CB 4.15Å; L1472-F1492 HydrophobicContact CG-CD1 3.89Å; L1472-F1492 HydrophobicContact CG-CG 4.32Å; F1473-F1492 CarbonylContact O-C 3.56Å; F1473-F1492 WeakPolarHBondContact O-CA 3.47Å; R1474-F1492 HydrophobicContact CB-CD1 3.9Å; R1474-F1492 HydrophobicContact CB-CE1 3.8Å; R1474-F1492 HydrophobicContact CG-CE1 4.25Å | ||
| 1493 | Q | 57 | Low | 47.4 | Very low | 46 Ų | 46 | 87.7 Ų | 87.7 | 22% | 0.215 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.2 | 173 | -61.4 | -173 | -21 | 0 | 0 | 109.5 | L1472 F1473 | L1472-Q1493 WeakPolarHBondContact CA-O 3.49Å; F1473-Q1493 HydrophobicContact CB-CB 4.34Å; F1473-Q1493 PolarHBondContact N-O 3.49Å; F1473-Q1493 PolarHBondContact O-N 3.28Å |
| 1494 | E | 60 | Low | 48.3 | Very low | 67 Ų | 67 | 83.4 Ų | 83.4 | 31% | 0.313 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.5 | -179.8 | -171.5 | -177.8 | -124 | 0 | 0 | 110.6 | Q1470 F1471 L1472 | Q1470-E1494 HydrophobicContact CG-CG 4.21Å; Q1470-E1494 PolarHBondContact NE2-OE1 3.06Å; F1471-E1494 WeakPolarHBondContact O-CA 3.44Å; L1472-E1494 HydrophobicContact CD1-CB 3.93Å; L1472-E1494 HydrophobicContact CD1-CG 4.22Å |
| 1495 | I | 64.8 | Low | 49 | Very low | 18 Ų | 18 | 80.4 Ų | 80.4 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.2 | -174.3 | -64.2 | 176.1 | 0 | 0 | 0 | 108.9 | F1471 I1497 W1505 L1600 I1603 | F1471-I1495 HydrophobicContact CB-CB 4.39Å; F1471-I1495 PolarHBondContact N-O 3.46Å; F1471-I1495 PolarHBondContact O-N 3.36Å; I1495-I1497 HydrophobicContact CG2-CD1 4.29Å; I1495-I1497 HydrophobicContact CG2-CG1 4.14Å; I1495-W1505 HydrophobicContact CD1-CE3 4.46Å; I1495-W1505 HydrophobicContact CD1-CH2 3.61Å; I1495-W1505 HydrophobicContact CD1-CZ2 4.04Å; I1495-W1505 HydrophobicContact CD1-CZ3 3.84Å; I1495-L1600 HydrophobicContact CD1-CD2 4.08Å; I1495-L1600 HydrophobicContact CD1-CG 4.27Å; I1495-I1603 HydrophobicContact CG2-CD1 4.29Å |
| 1496 | T | 64.5 | Low | 49.7 | Very low | 46 Ų | 46 | 74.9 Ų | 74.9 | 28% | 0.282 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.7 | 175.2 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | D1468 L1469 | D1468-T1496 HydrophobicContact CB-CG2 3.86Å; L1469-T1496 CarbonylContact O-C 3.57Å; L1469-T1496 WeakPolarHBondContact O-CA 3.49Å |
| 1497 | I | 66.6 | Low | 50 | Low | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.8 | 179.8 | -70.9 | 179.6 | 0 | 0 | 0 | 110.7 | L1469 F1471 I1495 Y1591 I1603 | L1469-I1497 PolarHBondContact N-O 3.47Å; L1469-I1497 PolarHBondContact O-N 3.37Å; F1471-I1497 HydrophobicContact CD2-CD1 4.4Å; F1471-I1497 HydrophobicContact CE2-CB 4.4Å; F1471-I1497 HydrophobicContact CE2-CD1 4.23Å; I1495-I1497 HydrophobicContact CG2-CD1 4.29Å; I1495-I1497 HydrophobicContact CG2-CG1 4.14Å; I1497-Y1591 HydrophobicContact CG2-CE1 4.38Å; I1497-I1603 HydrophobicContact CD1-CB 3.6Å; I1497-I1603 HydrophobicContact CD1-CD1 3.59Å; I1497-I1603 HydrophobicContact CD1-CG1 4.08Å; I1497-I1603 HydrophobicContact CD1-CG2 3.45Å; I1497-I1603 VanDerWaalsContact CD1-CG2 3.45Å |
| 1498 | R | 64.2 | Low | 50.2 | Low | 46 Ų | 46 | 66 Ų | 66 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | trans | -90.8 | 127.1 | 171.9 | -74 | 177.2 | 165.2 | -162.4 | -14.3 | 110.4 | D1468 S1500 Q1501 T1557 G1558 | D1468-R1498 HydrophobicContact CB-CG 4.32Å; D1468-R1498 IonicContact OD1-NE 2.91Å; D1468-R1498 WeakPolarHBondContact OD2-CG 3.15Å; D1468-R1498 IonicContact OD2-CZ 3.12Å; D1468-R1498 IonicContact OD2-NE 2.69Å; D1468-R1498 PolarHBondContact OD2-NE 2.89Å; D1468-R1498 IonicContact OD2-NH2 2.71Å; D1468-R1498 PolarHBondContact OD2-NH2 3.47Å; R1498-S1500 PolarHBondContact O-N 3.26Å; R1498-Q1501 HydrophobicContact CB-CB 4.27Å; R1498-Q1501 HydrophobicContact CB-CG 3.97Å; R1498-Q1501 PolarHBondContact O-N 3.24Å; R1498-T1557 PolarHBondContact NH1-O 2.96Å; R1498-G1558 PolarHBondContact NH1-O 2.85Å | ||
| 1499 | P | 63 | Low | 50.1 | Low | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.6 | 173.7 | -27.9 | 35.2 | 0 | 0 | 0 | 113.9 | S1467 L1469 Y1564 F1583 I1589 R1605 | S1467-P1499 WeakPolarHBondContact O-CD 3.46Å; L1469-P1499 HydrophobicContact CD1-CG 4.03Å; L1469-P1499 HydrophobicContact CG-CG 4.38Å; P1499-Y1564 HydrophobicContact CB-CD1 4.42Å; P1499-Y1564 HydrophobicContact CB-CD2 4.47Å; P1499-Y1564 HydrophobicContact CB-CG 3.98Å; P1499-F1583 HydrophobicContact CB-CE1 4.11Å; P1499-F1583 HydrophobicContact CB-CZ 4.03Å; P1499-F1583 HydrophobicContact CG-CE1 3.87Å; P1499-F1583 HydrophobicContact CG-CZ 4.04Å; P1499-I1589 HydrophobicContact CB-CD1 4.27Å; P1499-R1605 PolarHBondContact O-NH1 3.48Å |
| 1500 | S | 60.8 | Low | 49.5 | Very low | 44 Ų | 44 | 67.6 Ų | 67.6 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 115.7 | R1498 S1502 | R1498-S1500 PolarHBondContact O-N 3.26Å; S1500-S1502 PolarHBondContact O-N 3.23Å |
| 1501 | Q | 56.7 | Low | 49 | Very low | 65 Ų | 65 | 73 Ų | 73 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | trans | -78.2 | 119.9 | 178.8 | -85.1 | 173.2 | -16.9 | 0 | 0 | 111.1 | R1498 S1503 | R1498-Q1501 HydrophobicContact CB-CB 4.27Å; R1498-Q1501 HydrophobicContact CB-CG 3.97Å; R1498-Q1501 PolarHBondContact O-N 3.24Å; Q1501-S1503 PolarHBondContact O-N 3.35Å | ||
| 1502 | S | 45.6 | Very low | 48 | Very low | 121 Ų | 121 | 77.8 Ų | 77.8 | 85% | 0.846 | 40% | 0.397 | S | S | * | . | trans | -97.7 | 48.6 | -174.8 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | S1500 | S1500-S1502 PolarHBondContact O-N 3.23Š| ||
| 1503 | S | 46.4 | Very low | 46.6 | Very low | 93 Ų | 93 | 80 Ų | 80 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -154.3 | 132.6 | -175.8 | 55.7 | 0 | 0 | 0 | 0 | 114 | Q1501 W1505 | Q1501-S1503 PolarHBondContact O-N 3.35Å; S1503-W1505 PolarHBondContact O-N 3.02Å |
| 1504 | Y | 46.2 | Very low | 45 | Very low | 70 Ų | 70 | 84.3 Ų | 84.3 | 28% | 0.275 | 44% | 0.444 | S | S | . | . | trans | -41.9 | 122.6 | 168.3 | -179.8 | -111.1 | 0 | 0 | 0 | 113.5 | N1506 V1509 V1604 P1690 | Y1504-N1506 HydrophobicContact CD1-CB 3.77Å; Y1504-N1506 HydrophobicContact CE1-CB 3.32Å; Y1504-N1506 WeakPolarHBondContact CE1-ND2 3.44Å; Y1504-N1506 PolarHBondContact OH-ND2 2.92Å; Y1504-N1506 VanDerWaalsContact OH-ND2 3.11Å; Y1504-V1509 HydrophobicContact CE1-CG2 4.47Å; Y1504-V1604 HydrophobicContact CD2-CB 4.4Å; Y1504-V1604 HydrophobicContact CD2-CG1 4.12Å; Y1504-V1604 HydrophobicContact CD2-CG2 3.49Å; Y1504-V1604 VanDerWaalsContact CD2-CG2 3.49Å; Y1504-V1604 HydrophobicContact CE2-CG2 3.68Å; Y1504-P1690 HydrophobicContact CD1-CB 3.9Å; Y1504-P1690 HydrophobicContact CD2-CB 3.87Å; Y1504-P1690 HydrophobicContact CE1-CB 3.84Å; Y1504-P1690 HydrophobicContact CE1-CG 4.37Å; Y1504-P1690 HydrophobicContact CE2-CB 3.88Å; Y1504-P1690 HydrophobicContact CG-CB 3.9Å | ||
| 1505 | W | 46.2 | Very low | 43.1 | Very low | 78 Ų | 78 | 90.1 Ų | 90.1 | 30% | 0.295 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -86.7 | 127.2 | 167.8 | -175.4 | 85.5 | 0 | 0 | 0 | 109.9 | I1495 S1503 L1600 Y1601 G1602 I1603 | I1495-W1505 HydrophobicContact CD1-CE3 4.46Å; I1495-W1505 HydrophobicContact CD1-CH2 3.61Å; I1495-W1505 HydrophobicContact CD1-CZ2 4.04Å; I1495-W1505 HydrophobicContact CD1-CZ3 3.84Å; S1503-W1505 PolarHBondContact O-N 3.02Å; W1505-L1600 VanDerWaalsContact CZ3-O 3.29Å; W1505-L1600 WeakPolarHBondContact CZ3-O 3.34Å; W1505-Y1601 VanDerWaalsContact CZ3-C 3.47Å; W1505-G1602 WeakPolarHBondContact O-CA 3.47Å; W1505-I1603 PolarHBondContact N-O 3.18Å |
| 1506 | N | 40.5 | Very low | 41.3 | Very low | 45 Ų | 45 | 95.6 Ų | 95.6 | 24% | 0.241 | 51% | 0.505 | C | S | . | . | trans | -156.2 | 130.7 | 174.4 | 178.6 | -47.2 | 0 | 0 | 0 | 109.6 | Y1504 Q1508 V1509 | Y1504-N1506 HydrophobicContact CD1-CB 3.77Å; Y1504-N1506 HydrophobicContact CE1-CB 3.32Å; Y1504-N1506 WeakPolarHBondContact CE1-ND2 3.44Å; Y1504-N1506 PolarHBondContact OH-ND2 2.92Å; Y1504-N1506 VanDerWaalsContact OH-ND2 3.11Å; N1506-Q1508 PolarHBondContact O-N 3.12Å; N1506-Q1508 VanDerWaalsContact O-N 3.16Å; N1506-Q1508 PolarHBondContact OD1-N 3.05Å; N1506-V1509 HydrophobicContact CB-CG2 4.24Å | ||
| 1507 | P | 38.4 | Very low | 39.3 | Very low | 47 Ų | 47 | 100 Ų | 100 | 31% | 0.305 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 2.5 | -176.4 | 29 | -34.8 | 0 | 0 | 0 | 115.8 | Y1601 | P1507-Y1601 WeakPolarHBondContact CD-O 3.31Š|
| 1508 | Q | 32.2 | Very low | 37.1 | Very low | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.9 | 6.3 | -171.9 | -62.7 | -157.4 | 22.6 | 0 | 0 | 117.3 | N1506 | N1506-Q1508 PolarHBondContact O-N 3.12Å; N1506-Q1508 VanDerWaalsContact O-N 3.16Å; N1506-Q1508 PolarHBondContact OD1-N 3.05Å |
| 1509 | V | 29.2 | Very low | 35.1 | Very low | 107 Ų | 107 | 107 Ų | 107 | 65% | 0.648 | 58% | 0.583 | S | S | * | * | trans | -93.5 | 137.7 | -177.3 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | Y1504 N1506 | Y1504-V1509 HydrophobicContact CE1-CG2 4.47Å; N1506-V1509 HydrophobicContact CB-CG2 4.24Å | ||
| 1510 | Q | 24.8 | Very low | 33.2 | Very low | 171 Ų | 171 | 114.8 Ų | 114.8 | 80% | 0.799 | 62% | 0.619 | S | S | * | * | trans | -91.4 | 162.6 | -175.2 | -60.5 | 168.2 | -36.3 | 0 | 0 | 112.7 | ||||
| 1511 | H | 25.6 | Very low | 31.5 | Very low | 187 Ų | 187 | 117.3 Ų | 117.3 | 87% | 0.866 | 64% | 0.637 | S | S | * | * | trans | -136.2 | 140.4 | 157 | -98.8 | -66.6 | 0 | 0 | 0 | 112.3 | ||||
| 1512 | K | 24.4 | Very low | 30 | Very low | 180 Ų | 180 | 121.1 Ų | 121.1 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | 62.3 | 81.1 | 173 | -62.8 | -167.9 | 176.7 | -173.1 | 0 | 116.8 | ||||
| 1513 | C | 21.6 | Very low | 29 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 87% | 0.865 | 65% | 0.651 | S | S | * | * | -58.2 | 145 | 122.9 | -69.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1514 | I | 24.1 | Very low | 28 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | trans | -118.1 | 132.5 | 164.6 | -66.9 | 175.5 | 0 | 0 | 0 | 105.1 | ||||
| 1515 | E | 20 | Very low | 26.9 | Very low | 189 Ų | 189 | 125.1 Ų | 125.1 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | -68.6 | 127.8 | 176.9 | -64.7 | 164 | 131.6 | 0 | 0 | 109.6 | ||||
| 1516 | V | 26.2 | Very low | 25.8 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | trans | -139.3 | 122.5 | 162.4 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1517 | D | 22.3 | Very low | 25.1 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | trans | -55.8 | 147.9 | -160.8 | -59.7 | -69.6 | 0 | 0 | 0 | 119.7 | ||||
| 1518 | S | 21.3 | Very low | 24.4 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 74.7 | 139.1 | 130.9 | 70.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1519 | C | 21.6 | Very low | 24 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | 60 | 142.5 | 149.5 | -67.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1520 | E | 23.9 | Very low | 23.7 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | cis | -150.8 | 168.4 | 1.3 | -133.8 | 157.5 | -125.6 | 0 | 0 | 112.9 | ||||
| 1521 | S | 24.4 | Very low | 23.6 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | -51.5 | 165.8 | 170.3 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1522 | I | 24.5 | Very low | 23.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | cis | -155.6 | 128 | 48.1 | -68.5 | 165.7 | 0 | 0 | 0 | 108.1 | ||||
| 1523 | G | 24.4 | Very low | 23.5 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | 91.3 | 161.4 | 102.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1524 | H | 26.1 | Very low | 23.7 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | cis | -154.5 | 137.2 | 1.2 | -120 | -99.9 | 0 | 0 | 0 | 109.2 | ||||
| 1525 | Q | 23.6 | Very low | 23.7 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | 55.7 | 156.8 | 141.9 | -81.6 | 167.6 | -17 | 0 | 0 | 121 | ||||
| 1526 | S | 23.2 | Very low | 23.8 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | cis | -164.2 | 145.8 | 3.1 | 29.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1527 | H | 26.1 | Very low | 23.9 | Very low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.676 | 71% | 0.709 | S | S | * | * | trans | 65.5 | 129.2 | 143.1 | -62.7 | -40.6 | 0 | 0 | 0 | 120 | ||||
| 1528 | K | 23.5 | Very low | 23.9 | Very low | 175 Ų | 175 | 125.2 Ų | 125.2 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | 63.9 | 134 | 61.5 | -69.3 | -167.3 | -178.1 | -172.8 | 0 | 110.9 | |||||
| 1529 | N | 22.7 | Very low | 24 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | cis | -160.9 | 179.1 | 20.4 | -109.5 | 5 | 0 | 0 | 0 | 106.9 | ||||
| 1530 | S | 23.6 | Very low | 24.1 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | cis | -172.9 | 176.8 | -14.6 | 49.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1531 | S | 22.9 | Very low | 24.1 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | 54.5 | 131.9 | 147.6 | 53.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1532 | E | 23.9 | Very low | 24.1 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | cis | -172 | 164.3 | 13.5 | -125.4 | 169 | -118.9 | 0 | 0 | 112.7 | ||||
| 1533 | N | 24.7 | Very low | 24.1 | Very low | 114 Ų | 114 | 128 Ų | 128 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | trans | 63.3 | 117.3 | 151.4 | -56.2 | -30.9 | 0 | 0 | 0 | 122.2 | ||||
| 1534 | N | 24.6 | Very low | 24.1 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | 64.5 | 126.2 | 132.8 | -55.4 | -13.7 | 0 | 0 | 0 | 120.2 | ||||
| 1535 | H | 25 | Very low | 24 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | cis | -143.1 | 99 | -6.2 | -83.4 | -66.1 | 0 | 0 | 0 | 109.2 | ||||
| 1536 | Q | 21.7 | Very low | 24 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -171.4 | 178.8 | -172.7 | -103.3 | -164.7 | 16.6 | 0 | 0 | 108.6 | ||||
| 1537 | P | 28.3 | Very low | 24.1 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | cis | -130.9 | -155.2 | -36.7 | 37.4 | -19.2 | 0 | 0 | 0 | 110 | ||||
| 1538 | G | 22.7 | Very low | 24 | Very low | 60 Ų | 60 | 130.5 Ų | 130.5 | 62% | 0.619 | 72% | 0.721 | S | S | * | * | trans | -88.3 | -175.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1539 | S | 22.4 | Very low | 24.1 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | 59.5 | 106 | 168.9 | 69.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1540 | S | 23.2 | Very low | 24.3 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | -173.5 | 118.6 | 121.3 | 29.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1541 | I | 24.1 | Very low | 24.5 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 86% | 0.862 | 71% | 0.705 | S | S | * | * | trans | 37.2 | 98.6 | 133.3 | -45.7 | 171.1 | 0 | 0 | 0 | 117.9 | ||||
| 1542 | E | 25.2 | Very low | 24.7 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | trans | -125.3 | 113.3 | 148 | -77.7 | -153.1 | 139.7 | 0 | 0 | 112.9 | S1544 | E1542-S1544 PolarHBondContact O-N 3.47Š| ||
| 1543 | S | 23.7 | Very low | 24.9 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | trans | 16.6 | 90.2 | 153.8 | 55 | 0 | 0 | 0 | 0 | 121 | ||||
| 1544 | S | 25.5 | Very low | 25 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | 41.8 | 91.8 | 115.4 | 66.2 | 0 | 0 | 0 | 0 | 119.6 | E1542 | E1542-S1544 PolarHBondContact O-N 3.47Š| |||
| 1545 | K | 24.1 | Very low | 25 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 67% | 0.665 | 70% | 0.696 | S | S | * | * | trans | -130.9 | 108 | 141.3 | -76.2 | -170.7 | -178.4 | 175.1 | 0 | 110.2 | P1547 | K1545-P1547 WeakPolarHBondContact O-CD 3.32Š| ||
| 1546 | K | 23.3 | Very low | 25.1 | Very low | 194 Ų | 194 | 125.6 Ų | 125.6 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 124.9 | 166.4 | -69.6 | -178.2 | 176.6 | -178.1 | 0 | 108.3 | L1548 | K1546-L1548 PolarHBondContact O-N 2.87Š|
| 1547 | P | 25.5 | Very low | 25.2 | Very low | 89 Ų | 89 | 122.3 Ų | 122.3 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119.5 | 157.4 | 28.2 | -31 | 0 | 0 | 0 | 107.1 | K1545 | K1545-P1547 WeakPolarHBondContact O-CD 3.32Š|
| 1548 | L | 23.3 | Very low | 25.1 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 58% | 0.581 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 151.9 | 169.4 | -73.7 | 135.5 | 0 | 0 | 0 | 108.6 | K1546 F1550 | K1546-L1548 PolarHBondContact O-N 2.87Å; L1548-F1550 HydrophobicContact CB-CD1 4.32Å; L1548-F1550 HydrophobicContact CB-CD2 3.95Å; L1548-F1550 HydrophobicContact CB-CE1 4.13Å; L1548-F1550 HydrophobicContact CB-CE2 3.75Å; L1548-F1550 HydrophobicContact CB-CG 4.24Å; L1548-F1550 HydrophobicContact CB-CZ 3.85Å; L1548-F1550 HydrophobicContact CD1-CE1 4.14Å; L1548-F1550 HydrophobicContact CD1-CE2 4Å; L1548-F1550 HydrophobicContact CD1-CZ 3.52Å; L1548-F1550 HydrophobicContact CG-CE2 4.49Å; L1548-F1550 HydrophobicContact CG-CZ 4.32Å; L1548-F1550 WeakPolarHBondContact O-CD2 3.43Å; L1548-F1550 PolarHBondContact O-N 2.9Å |
| 1549 | P | 24.8 | Very low | 25.3 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | trans | -67.5 | 83 | 168.9 | 29.1 | -34.1 | 0 | 0 | 0 | 109.2 | K1551 | P1549-K1551 PolarHBondContact O-N 3.31Å; P1549-K1551 VanDerWaalsContact O-N 3.15Å | ||
| 1550 | F | 28.4 | Very low | 25.7 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 46% | 0.456 | 68% | 0.676 | S | S | . | * | trans | -82 | 98.1 | -173.7 | -82.2 | -59.2 | 0 | 0 | 0 | 110.9 | L1548 | L1548-F1550 HydrophobicContact CB-CD1 4.32Å; L1548-F1550 HydrophobicContact CB-CD2 3.95Å; L1548-F1550 HydrophobicContact CB-CE1 4.13Å; L1548-F1550 HydrophobicContact CB-CE2 3.75Å; L1548-F1550 HydrophobicContact CB-CG 4.24Å; L1548-F1550 HydrophobicContact CB-CZ 3.85Å; L1548-F1550 HydrophobicContact CD1-CE1 4.14Å; L1548-F1550 HydrophobicContact CD1-CE2 4Å; L1548-F1550 HydrophobicContact CD1-CZ 3.52Å; L1548-F1550 HydrophobicContact CG-CE2 4.49Å; L1548-F1550 HydrophobicContact CG-CZ 4.32Å; L1548-F1550 WeakPolarHBondContact O-CD2 3.43Å; L1548-F1550 PolarHBondContact O-N 2.9Å | ||
| 1551 | K | 27.2 | Very low | 26.2 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | trans | 12.5 | 137.6 | 143.4 | -60.2 | -178.3 | 173.6 | -169.7 | 0 | 117.3 | C669 P1549 W1553 | C669-K1551 WeakPolarHBondContact O-CE 3.46Å; C669-K1551 PolarHBondContact O-NZ 3.18Å; P1549-K1551 PolarHBondContact O-N 3.31Å; P1549-K1551 VanDerWaalsContact O-N 3.15Å; K1551-W1553 PolarHBondContact O-N 3.38Å | ||
| 1552 | H | 26.7 | Very low | 27.2 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | -55.9 | 105.7 | 157.9 | -62.4 | -86.2 | 0 | 0 | 0 | 110.7 | I1554 | H1552-I1554 PolarHBondContact O-N 2.9Å; H1552-I1554 VanDerWaalsContact O-N 3.15Å | ||
| 1553 | W | 27.6 | Very low | 28.3 | Very low | 175 Ų | 175 | 118.8 Ų | 118.8 | 66% | 0.663 | 66% | 0.656 | S | S | * | * | trans | -84.3 | 78.9 | 174.8 | -72 | 83.3 | 0 | 0 | 0 | 109.7 | K1551 L1555 | K1551-W1553 PolarHBondContact O-N 3.38Å; W1553-L1555 VanDerWaalsContact C-N 3.31Å; W1553-L1555 PolarHBondContact O-N 2.91Å | ||
| 1554 | I | 26.8 | Very low | 29.9 | Very low | 109 Ų | 109 | 116.9 Ų | 116.9 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | trans | -71.8 | 89.4 | 171.3 | -57.5 | 179.2 | 0 | 0 | 0 | 108.6 | H1552 T1556 | H1552-I1554 PolarHBondContact O-N 2.9Å; H1552-I1554 VanDerWaalsContact O-N 3.15Å; I1554-T1556 VanDerWaalsContact C-N 3.25Å; I1554-T1556 HydrophobicContact CG2-CG2 3.93Å; I1554-T1556 WeakPolarHBondContact CG2-OG1 3.47Å; I1554-T1556 PolarHBondContact O-N 3.48Å; I1554-T1556 VanDerWaalsContact O-N 3.09Å | ||
| 1555 | L | 24.9 | Very low | 31.5 | Very low | 98 Ų | 98 | 112.8 Ų | 112.8 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | trans | -88.4 | 56 | -174 | -138.8 | 171.5 | 0 | 0 | 0 | 111.7 | W1553 | W1553-L1555 VanDerWaalsContact C-N 3.31Å; W1553-L1555 PolarHBondContact O-N 2.91Å | ||
| 1556 | T | 26.9 | Very low | 33.5 | Very low | 69 Ų | 69 | 107.8 Ų | 107.8 | 42% | 0.423 | 59% | 0.592 | S | S | . | * | trans | -107.4 | 70.3 | -177.3 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | I1554 | I1554-T1556 VanDerWaalsContact C-N 3.25Å; I1554-T1556 HydrophobicContact CG2-CG2 3.93Å; I1554-T1556 WeakPolarHBondContact CG2-OG1 3.47Å; I1554-T1556 PolarHBondContact O-N 3.48Å; I1554-T1556 VanDerWaalsContact O-N 3.09Å | ||
| 1557 | T | 24.7 | Very low | 35.8 | Very low | 117 Ų | 117 | 98.9 Ų | 98.9 | 72% | 0.718 | 56% | 0.555 | S | S | * | * | trans | -118.8 | 152.9 | 158.2 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | R1498 | R1498-T1557 PolarHBondContact NH1-O 2.96Š| ||
| 1558 | G | 25.7 | Very low | 38 | Very low | 59 Ų | 59 | 97 Ų | 97 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 92.8 | 137.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1498 | R1498-G1558 PolarHBondContact NH1-O 2.85Š|
| 1559 | L | 28.2 | Very low | 40.4 | Very low | 171 Ų | 171 | 92.1 Ų | 92.1 | 90% | 0.895 | 52% | 0.517 | S | S | * | . | trans | -43.7 | 142.8 | 179.5 | -64.1 | 142.5 | 0 | 0 | 0 | 115.5 | S1561 | L1559-S1561 PolarHBondContact O-N 2.8Š| ||
| 1560 | S | 30.1 | Very low | 43 | Very low | 108 Ų | 108 | 87 Ų | 87 | 76% | 0.755 | 48% | 0.483 | S | S | * | . | trans | -74.2 | 110.6 | 166.4 | 40.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1561 | S | 32.8 | Very low | 45.4 | Very low | 71 Ų | 71 | 82.8 Ų | 82.8 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | trans | -86.8 | 132.3 | 170.3 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | L1559 M1563 | L1559-S1561 PolarHBondContact O-N 2.8Å; S1561-M1563 VanDerWaalsContact C-N 3.26Å; S1561-M1563 PolarHBondContact O-N 2.68Å | ||
| 1562 | S | 45.4 | Very low | 47.7 | Very low | 117 Ų | 117 | 78.6 Ų | 78.6 | 82% | 0.818 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -71.8 | -9.3 | -170.2 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | Y1564 | S1562-Y1564 VanDerWaalsContact C-N 3.34Å; S1562-Y1564 PolarHBondContact O-N 2.72Å |
| 1563 | M | 49.7 | Very low | 50.1 | Low | 153 Ų | 153 | 72.1 Ų | 72.1 | 75% | 0.754 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -65.5 | -25.2 | -166.7 | -78.4 | -171.8 | 163.7 | 0 | 0 | 116.2 | S1561 | S1561-M1563 VanDerWaalsContact C-N 3.26Å; S1561-M1563 PolarHBondContact O-N 2.68Å |
| 1564 | Y | 56.3 | Low | 51.8 | Low | 53 Ų | 53 | 71.9 Ų | 71.9 | 21% | 0.208 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -95.1 | -18 | -173.1 | -70.3 | -74.5 | 0 | 0 | 0 | 114.3 | P1499 S1562 F1583 I1589 R1605 | P1499-Y1564 HydrophobicContact CB-CD1 4.42Å; P1499-Y1564 HydrophobicContact CB-CD2 4.47Å; P1499-Y1564 HydrophobicContact CB-CG 3.98Å; S1562-Y1564 VanDerWaalsContact C-N 3.34Å; S1562-Y1564 PolarHBondContact O-N 2.72Å; Y1564-F1583 WeakPolarHBondContact O-CB 3.37Å; Y1564-F1583 WeakPolarHBondContact O-CD1 3.46Å; Y1564-F1583 WeakPolarHBondContact O-CG 3.46Å; Y1564-I1589 HydrophobicContact CD1-CD1 3.85Å; Y1564-I1589 HydrophobicContact CE1-CD1 3.95Å; Y1564-R1605 PolarHBondContact OH-NH1 3.13Å; Y1564-R1605 PolarHBondContact OH-NH2 3.38Å |
| 1565 | G | 60 | Low | 53.7 | Low | 25 Ų | 25 | 69.6 Ų | 69.6 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | trans | 66.7 | -148.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1584 | G1565-N1584 WeakPolarHBondContact CA-OD1 3.38Š| ||
| 1566 | V | 66 | Low | 55.7 | Low | 49 Ų | 49 | 64.9 Ų | 64.9 | 30% | 0.297 | 39% | 0.386 | S | S | . | . | trans | -112.5 | 135.4 | 179.8 | -173 | 0 | 0 | 0 | 0 | 108.6 | F1583 N1584 | V1566-F1583 CarbonylContact O-C 3.57Å; V1566-F1583 WeakPolarHBondContact O-CA 3.25Å; V1566-N1584 PolarHBondContact N-OD1 2.95Å; V1566-N1584 PolarHBondContact O-N 2.72Å; V1566-N1584 PolarHBondContact O-OD1 2.7Å | ||
| 1567 | A | 70.7 | Confident | 58 | Low | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 137.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1447 L1469 I1581 G1582 F1583 | F1447-A1567 HydrophobicContact CD2-CB 4.29Å; F1447-A1567 HydrophobicContact CE1-CB 4.32Å; F1447-A1567 VanDerWaalsContact CE1-O 3.23Å; F1447-A1567 WeakPolarHBondContact CE1-O 3.29Å; F1447-A1567 HydrophobicContact CE2-CB 3.68Å; F1447-A1567 HydrophobicContact CZ-CB 3.7Å; F1447-A1567 WeakPolarHBondContact CZ-O 3.11Å; L1469-A1567 HydrophobicContact CD2-CB 4.2Å; A1567-I1581 HydrophobicContact CB-CG2 3.79Å; A1567-G1582 CarbonylContact C-O 3.58Å; A1567-G1582 WeakPolarHBondContact CA-O 3.27Å; A1567-F1583 HydrophobicContact CB-CD1 4.14Å; A1567-F1583 HydrophobicContact CB-CE1 4.08Å |
| 1568 | T | 71.4 | Confident | 60.6 | Low | 50 Ų | 50 | 58 Ų | 58 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -26.5 | -178.5 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | G1582 N1584 I1641 | T1568-G1582 PolarHBondContact N-O 2.96Å; T1568-N1584 HydrophobicContact CG2-CB 3.64Å; T1568-I1641 WeakPolarHBondContact CB-O 3.44Å; T1568-I1641 PolarHBondContact OG1-O 3.21Å |
| 1569 | A | 73.5 | Confident | 63.4 | Low | 8 Ų | 8 | 55.2 Ų | 55.2 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 141.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G1582 I1641 L1644 | A1569-G1582 PolarHBondContact N-O 3.05Å; A1569-G1582 PolarHBondContact O-N 3.06Å; A1569-I1641 HydrophobicContact CB-CG2 3.99Å; A1569-L1644 HydrophobicContact CB-CB 3.84Å |
| 1570 | V | 80 | Confident | 66.1 | Low | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.7 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | F1447 V1460 F1572 V1579 A1580 I1581 | F1447-V1570 HydrophobicContact CB-CB 3.68Å; F1447-V1570 HydrophobicContact CB-CG2 3.34Å; F1447-V1570 HydrophobicContact CD2-CG2 4.02Å; F1447-V1570 HydrophobicContact CG-CG2 3.89Å; V1460-V1570 HydrophobicContact CB-CG1 4.47Å; V1460-V1570 HydrophobicContact CG1-CG1 4.25Å; V1460-V1570 HydrophobicContact CG1-CG2 4.21Å; V1570-F1572 HydrophobicContact CG1-CE2 4.37Å; V1570-F1572 HydrophobicContact CG1-CZ 4.41Å; V1570-V1579 HydrophobicContact CG1-CG1 3.63Å; V1570-A1580 WeakPolarHBondContact CA-O 3.43Å; V1570-I1581 HydrophobicContact CG1-CG1 4.38Å; V1570-I1581 HydrophobicContact CG2-CB 4.3Å; V1570-I1581 HydrophobicContact CG2-CD1 4.47Å; V1570-I1581 HydrophobicContact CG2-CG1 3.99Å; V1570-I1581 HydrophobicContact CG2-CG2 3.98Å |
| 1571 | S | 79.3 | Confident | 68.7 | Low | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.5 | 176.9 | -145 | 0 | 0 | 0 | 0 | 109.5 | A1580 L1644 H1645 T1646 | S1571-A1580 PolarHBondContact N-O 3.42Å; S1571-A1580 PolarHBondContact O-N 3.14Å; S1571-L1644 WeakPolarHBondContact CB-O 3.31Å; S1571-L1644 PolarHBondContact OG-O 3.22Å; S1571-H1645 WeakPolarHBondContact OG-CA 3.49Å; S1571-T1646 WeakPolarHBondContact CB-OG1 3.45Å; S1571-T1646 PolarHBondContact OG-N 3.39Å; S1571-T1646 VanDerWaalsContact OG-N 3.16Å; S1571-T1646 PolarHBondContact OG-OG1 3.46Å |
| 1572 | F | 75.8 | Confident | 71 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.7 | 171.3 | -66.9 | -73.8 | 0 | 0 | 0 | 109.7 | S1448 W1450 L1458 V1460 V1570 V1579 T1646 | S1448-F1572 WeakPolarHBondContact OG-CD2 3.49Å; S1448-F1572 WeakPolarHBondContact OG-CE2 3.39Å; W1450-F1572 HydrophobicContact CB-CB 4.14Å; W1450-F1572 HydrophobicContact CB-CD1 4.05Å; W1450-F1572 HydrophobicContact CB-CD2 3.71Å; W1450-F1572 HydrophobicContact CB-CE1 4.37Å; W1450-F1572 HydrophobicContact CB-CE2 4.03Å; W1450-F1572 HydrophobicContact CB-CG 3.71Å; W1450-F1572 HydrophobicContact CB-CZ 4.35Å; L1458-F1572 HydrophobicContact CD2-CD1 4.18Å; L1458-F1572 HydrophobicContact CD2-CE1 3.43Å; L1458-F1572 VanDerWaalsContact CD2-CE1 3.43Å; L1458-F1572 HydrophobicContact CD2-CZ 4Å; L1458-F1572 HydrophobicContact CG-CE1 4.31Å; L1458-F1572 HydrophobicContact CG-CZ 4.42Å; V1460-F1572 HydrophobicContact CB-CZ 3.94Å; V1460-F1572 HydrophobicContact CG2-CE1 4.05Å; V1460-F1572 HydrophobicContact CG2-CZ 3.62Å; V1570-F1572 HydrophobicContact CG1-CE2 4.37Å; V1570-F1572 HydrophobicContact CG1-CZ 4.41Å; F1572-V1579 HydrophobicContact CD1-CB 4.2Å; F1572-V1579 HydrophobicContact CD1-CG1 3.84Å; F1572-V1579 HydrophobicContact CD1-CG2 3.69Å; F1572-V1579 HydrophobicContact CE1-CB 4.19Å; F1572-V1579 HydrophobicContact CE1-CG1 3.63Å; F1572-V1579 HydrophobicContact CE1-CG2 3.55Å; F1572-V1579 HydrophobicContact CZ-CG1 4.36Å; F1572-T1646 PolarHBondContact O-OG1 3.46Å |
| 1573 | W | 75.5 | Confident | 72.6 | Confident | 20 Ų | 20 | 33.1 Ų | 33.1 | 8% | 0.076 | 17% | 0.173 | C | C | . | . | trans | -71.6 | 156.8 | 160.2 | 174.4 | 56.8 | 0 | 0 | 0 | 110.6 | D1575 G1576 N1577 W1578 T1646 M1648 L1664 | W1573-D1575 VanDerWaalsContact C-N 3.26Å; W1573-D1575 HydrophobicContact CE3-CB 4.03Å; W1573-D1575 HydrophobicContact CH2-CB 3.61Å; W1573-D1575 WeakPolarHBondContact CH2-OD2 3.47Å; W1573-D1575 HydrophobicContact CZ2-CB 4.16Å; W1573-D1575 WeakPolarHBondContact CZ2-OD2 3.47Å; W1573-D1575 HydrophobicContact CZ3-CB 3.56Å; W1573-D1575 PolarHBondContact O-N 3.29Å; W1573-D1575 VanDerWaalsContact O-N 3.12Å; W1573-G1576 PolarHBondContact O-N 3.44Å; W1573-N1577 HydrophobicContact CE3-CB 4.1Å; W1573-N1577 HydrophobicContact CZ3-CB 3.97Å; W1573-W1578 HydrophobicContact CB-CB 4.03Å; W1573-W1578 AromaticContact CE3-CD1 3.78Å; W1573-W1578 PolarHBondContact N-O 2.92Å; W1573-T1646 PolarHBondContact N-OG1 3.08Å; W1573-M1648 HydrophobicContact CD2-CB 4.46Å; W1573-M1648 HydrophobicContact CD2-CE 3.61Å; W1573-M1648 VanDerWaalsContact CE2-CE 3.44Å; W1573-M1648 HydrophobicContact CE3-CE 3.63Å; W1573-M1648 HydrophobicContact CG-CB 4.38Å; W1573-M1648 HydrophobicContact CG-CE 4.44Å; W1573-M1648 HydrophobicContact CH2-CE 3.34Å; W1573-M1648 HydrophobicContact CZ2-CB 4.47Å; W1573-M1648 HydrophobicContact CZ2-CE 3.35Å; W1573-M1648 HydrophobicContact CZ3-CE 3.47Å; W1573-M1648 VanDerWaalsContact CZ3-CE 3.47Å; W1573-L1664 HydrophobicContact CB-CD1 4.49Å | ||
| 1574 | K | 64.1 | Low | 73.7 | Confident | 171 Ų | 171 | 28.9 Ų | 28.9 | 74% | 0.743 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -41.9 | -171.3 | -168.4 | -163.1 | 173.6 | -154.6 | 0 | 113.7 | W1450 | W1450-K1574 PolarHBondContact NE1-O 3Š|
| 1575 | D | 66.2 | Low | 74.4 | Confident | 60 Ų | 60 | 27.2 Ų | 27.2 | 32% | 0.321 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 18.3 | -175.3 | -44.5 | -0.2 | 0 | 0 | 0 | 112.3 | W1450 W1573 N1577 | W1450-D1575 WeakPolarHBondContact CZ2-O 3.29Å; W1573-D1575 VanDerWaalsContact C-N 3.26Å; W1573-D1575 HydrophobicContact CE3-CB 4.03Å; W1573-D1575 HydrophobicContact CH2-CB 3.61Å; W1573-D1575 WeakPolarHBondContact CH2-OD2 3.47Å; W1573-D1575 HydrophobicContact CZ2-CB 4.16Å; W1573-D1575 WeakPolarHBondContact CZ2-OD2 3.47Å; W1573-D1575 HydrophobicContact CZ3-CB 3.56Å; W1573-D1575 PolarHBondContact O-N 3.29Å; W1573-D1575 VanDerWaalsContact O-N 3.12Å; D1575-N1577 PolarHBondContact O-N 2.64Å; D1575-N1577 PolarHBondContact O-ND2 2.98Å |
| 1576 | G | 68.5 | Low | 75 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 73.4 | -22.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | W1450 W1573 W1578 | W1450-G1576 VanDerWaalsContact CE2-CA 3.41Å; W1450-G1576 VanDerWaalsContact CE2-N 3.32Å; W1573-G1576 PolarHBondContact O-N 3.44Å; G1576-W1578 PolarHBondContact O-N 3.37Å |
| 1577 | N | 74.7 | Confident | 75.7 | Confident | 37 Ų | 37 | 25 Ų | 25 | 20% | 0.198 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -62.6 | -13.1 | -173.5 | -66.4 | -65.1 | 0 | 0 | 0 | 115.7 | W1573 D1575 S1592 L1593 | W1573-N1577 HydrophobicContact CE3-CB 4.1Å; W1573-N1577 HydrophobicContact CZ3-CB 3.97Å; D1575-N1577 PolarHBondContact O-N 2.64Å; D1575-N1577 PolarHBondContact O-ND2 2.98Å; N1577-S1592 WeakPolarHBondContact O-CA 3.28Å; N1577-L1593 PolarHBondContact O-N 3.25Å |
| 1578 | W | 78.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.5 | 177.7 | -66.3 | 101.2 | 0 | 0 | 0 | 111.1 | W1573 G1576 V1590 Y1591 R1606 Y1607 L1664 A1683 | W1573-W1578 HydrophobicContact CB-CB 4.03Å; W1573-W1578 AromaticContact CE3-CD1 3.78Å; W1573-W1578 PolarHBondContact N-O 2.92Å; G1576-W1578 PolarHBondContact O-N 3.37Å; W1578-V1590 HydrophobicContact CE3-CG1 3.88Å; W1578-V1590 HydrophobicContact CZ3-CG1 4.37Å; W1578-Y1591 WeakPolarHBondContact CA-O 3.43Å; W1578-R1606 HydrophobicContact CH2-CB 4.37Å; W1578-R1606 HydrophobicContact CH2-CG 4.04Å; W1578-R1606 HydrophobicContact CZ3-CB 3.81Å; W1578-R1606 HydrophobicContact CZ3-CG 3.72Å; W1578-Y1607 AromaticContact CH2-CE2 3.9Å; W1578-Y1607 HydrophobicContact CH2-CE2 3.9Å; W1578-Y1607 HydrophobicContact CZ3-CD2 4.16Å; W1578-Y1607 AromaticContact CZ3-CE2 3.77Å; W1578-Y1607 HydrophobicContact CZ3-CE2 3.77Å; W1578-L1664 HydrophobicContact CB-CD2 4.12Å; W1578-L1664 HydrophobicContact CD2-CD2 3.97Å; W1578-L1664 HydrophobicContact CE3-CD2 4.1Å; W1578-L1664 HydrophobicContact CG-CD2 3.99Å; W1578-A1683 HydrophobicContact CH2-CB 4.42Å; W1578-A1683 HydrophobicContact CZ2-CB 3.91Å; W1578-A1683 WeakPolarHBondContact CZ2-O 3.33Å |
| 1579 | V | 83.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.8 | 176.1 | -161.2 | 0 | 0 | 0 | 0 | 109.7 | F1471 V1570 F1572 I1581 V1590 Y1591 L1593 | F1471-V1579 HydrophobicContact CE1-CG2 4.36Å; V1570-V1579 HydrophobicContact CG1-CG1 3.63Å; F1572-V1579 HydrophobicContact CD1-CB 4.2Å; F1572-V1579 HydrophobicContact CD1-CG1 3.84Å; F1572-V1579 HydrophobicContact CD1-CG2 3.69Å; F1572-V1579 HydrophobicContact CE1-CB 4.19Å; F1572-V1579 HydrophobicContact CE1-CG1 3.63Å; F1572-V1579 HydrophobicContact CE1-CG2 3.55Å; F1572-V1579 HydrophobicContact CZ-CG1 4.36Å; V1579-I1581 HydrophobicContact CG1-CD1 4.22Å; V1579-I1581 HydrophobicContact CG1-CG1 3.89Å; V1579-V1590 CarbonylContact O-C 3.52Å; V1579-V1590 VanDerWaalsContact O-CA 3.32Å; V1579-V1590 WeakPolarHBondContact O-CA 3.37Å; V1579-Y1591 PolarHBondContact N-O 3.36Å; V1579-Y1591 PolarHBondContact O-N 3.02Å; V1579-L1593 HydrophobicContact CG2-CD1 3.45Å; V1579-L1593 VanDerWaalsContact CG2-CD1 3.45Å; V1579-L1593 HydrophobicContact CG2-CD2 4.24Å; V1579-L1593 HydrophobicContact CG2-CG 3.75Å |
| 1580 | A | 85.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1570 S1571 V1588 V1590 L1644 T1646 V1666 | V1570-A1580 WeakPolarHBondContact CA-O 3.43Å; S1571-A1580 PolarHBondContact N-O 3.42Å; S1571-A1580 PolarHBondContact O-N 3.14Å; A1580-V1588 HydrophobicContact CB-CG1 3.96Å; A1580-V1590 HydrophobicContact CB-CG2 4.17Å; A1580-L1644 HydrophobicContact CB-CD2 3.64Å; A1580-L1644 HydrophobicContact CB-CG 4.42Å; A1580-L1644 WeakPolarHBondContact O-CD2 3.5Å; A1580-T1646 HydrophobicContact CB-CG2 3.55Å; A1580-V1666 HydrophobicContact CB-CG1 4.16Å |
| 1581 | I | 84.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 107.4 | -176.9 | -54.9 | -170.3 | 0 | 0 | 0 | 108.1 | V1460 L1469 F1471 A1567 V1570 V1579 F1583 V1588 I1589 Y1591 | V1460-I1581 HydrophobicContact CG1-CD1 4.24Å; L1469-I1581 HydrophobicContact CD1-CD1 3.62Å; L1469-I1581 HydrophobicContact CD1-CG2 4.32Å; L1469-I1581 HydrophobicContact CD2-CD1 4.29Å; L1469-I1581 HydrophobicContact CD2-CG2 4.38Å; F1471-I1581 HydrophobicContact CZ-CD1 4.33Å; A1567-I1581 HydrophobicContact CB-CG2 3.79Å; V1570-I1581 HydrophobicContact CG1-CG1 4.38Å; V1570-I1581 HydrophobicContact CG2-CB 4.3Å; V1570-I1581 HydrophobicContact CG2-CD1 4.47Å; V1570-I1581 HydrophobicContact CG2-CG1 3.99Å; V1570-I1581 HydrophobicContact CG2-CG2 3.98Å; V1579-I1581 HydrophobicContact CG1-CD1 4.22Å; V1579-I1581 HydrophobicContact CG1-CG1 3.89Å; I1581-F1583 HydrophobicContact CB-CE2 4.21Å; I1581-F1583 HydrophobicContact CB-CZ 4.48Å; I1581-F1583 HydrophobicContact CG2-CE1 4.41Å; I1581-F1583 HydrophobicContact CG2-CE2 3.8Å; I1581-F1583 HydrophobicContact CG2-CZ 3.75Å; I1581-F1583 VanDerWaalsContact O-CD2 3.3Å; I1581-F1583 WeakPolarHBondContact O-CD2 3.36Å; I1581-F1583 WeakPolarHBondContact O-CE2 3.25Å; I1581-V1588 CarbonylContact O-C 3.58Å; I1581-V1588 VanDerWaalsContact O-CA 3.27Å; I1581-V1588 WeakPolarHBondContact O-CA 3.44Å; I1581-V1588 WeakPolarHBondContact O-CG1 3.47Å; I1581-I1589 PolarHBondContact N-O 3.35Å; I1581-I1589 PolarHBondContact O-N 3.32Å; I1581-Y1591 HydrophobicContact CD1-CD2 3.98Å; I1581-Y1591 HydrophobicContact CD1-CE2 3.85Å; I1581-Y1591 HydrophobicContact CG1-CD2 4.28Å; I1581-Y1591 HydrophobicContact CG1-CE2 4.33Å |
| 1582 | G | 81.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 142.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1567 T1568 A1569 N1587 | A1567-G1582 CarbonylContact C-O 3.58Å; A1567-G1582 WeakPolarHBondContact CA-O 3.27Å; T1568-G1582 PolarHBondContact N-O 2.96Å; A1569-G1582 PolarHBondContact N-O 3.05Å; A1569-G1582 PolarHBondContact O-N 3.06Å; G1582-N1587 WeakPolarHBondContact CA-O 3.29Å |
| 1583 | F | 78.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 159.6 | -178.3 | -63.8 | -96.9 | 0 | 0 | 0 | 111.6 | P1499 Y1564 V1566 A1567 I1581 T1585 G1586 N1587 I1589 | P1499-F1583 HydrophobicContact CB-CE1 4.11Å; P1499-F1583 HydrophobicContact CB-CZ 4.03Å; P1499-F1583 HydrophobicContact CG-CE1 3.87Å; P1499-F1583 HydrophobicContact CG-CZ 4.04Å; Y1564-F1583 WeakPolarHBondContact O-CB 3.37Å; Y1564-F1583 WeakPolarHBondContact O-CD1 3.46Å; Y1564-F1583 WeakPolarHBondContact O-CG 3.46Å; V1566-F1583 CarbonylContact O-C 3.57Å; V1566-F1583 WeakPolarHBondContact O-CA 3.25Å; A1567-F1583 HydrophobicContact CB-CD1 4.14Å; A1567-F1583 HydrophobicContact CB-CE1 4.08Å; I1581-F1583 HydrophobicContact CB-CE2 4.21Å; I1581-F1583 HydrophobicContact CB-CZ 4.48Å; I1581-F1583 HydrophobicContact CG2-CE1 4.41Å; I1581-F1583 HydrophobicContact CG2-CE2 3.8Å; I1581-F1583 HydrophobicContact CG2-CZ 3.75Å; I1581-F1583 VanDerWaalsContact O-CD2 3.3Å; I1581-F1583 WeakPolarHBondContact O-CD2 3.36Å; I1581-F1583 WeakPolarHBondContact O-CE2 3.25Å; F1583-T1585 PolarHBondContact O-N 2.86Å; F1583-T1585 VanDerWaalsContact O-N 3.11Å; F1583-G1586 WeakPolarHBondContact O-CA 3.25Å; F1583-G1586 PolarHBondContact O-N 3.02Å; F1583-N1587 PolarHBondContact N-O 2.71Å; F1583-I1589 HydrophobicContact CD2-CG1 4.49Å; F1583-I1589 HydrophobicContact CE2-CB 4.04Å; F1583-I1589 HydrophobicContact CE2-CD1 3.66Å; F1583-I1589 HydrophobicContact CE2-CG1 3.71Å; F1583-I1589 HydrophobicContact CZ-CD1 3.89Å; F1583-I1589 HydrophobicContact CZ-CG1 4.42Å |
| 1584 | N | 72.5 | Confident | 77.2 | Confident | 64 Ų | 64 | 19.6 Ų | 19.6 | 34% | 0.342 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12 | 175 | 70.5 | -16.8 | 0 | 0 | 0 | 113.6 | G1565 V1566 T1568 G1586 H1638 | G1565-N1584 WeakPolarHBondContact CA-OD1 3.38Å; V1566-N1584 PolarHBondContact N-OD1 2.95Å; V1566-N1584 PolarHBondContact O-N 2.72Å; V1566-N1584 PolarHBondContact O-OD1 2.7Å; T1568-N1584 HydrophobicContact CG2-CB 3.64Å; N1584-G1586 PolarHBondContact O-N 3.02Å; N1584-H1638 WeakPolarHBondContact O-CB 3.15Å |
| 1585 | T | 72 | Confident | 77.3 | Confident | 17 Ų | 17 | 13.5 Ų | 13.5 | 10% | 0.104 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5 | 167 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | F1583 N1587 H1638 | F1583-T1585 PolarHBondContact O-N 2.86Å; F1583-T1585 VanDerWaalsContact O-N 3.11Å; T1585-N1587 PolarHBondContact O-N 3.12Å; T1585-H1638 PolarHBondContact O-ND1 3.18Å |
| 1586 | G | 72.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 80.3 | -2.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1583 N1584 A1611 D1639 Y1670 | F1583-G1586 WeakPolarHBondContact O-CA 3.25Å; F1583-G1586 PolarHBondContact O-N 3.02Å; N1584-G1586 PolarHBondContact O-N 3.02Å; G1586-A1611 VanDerWaalsContact O-CB 3.3Å; G1586-A1611 WeakPolarHBondContact O-CB 3.18Å; G1586-D1639 VanDerWaalsContact CA-O 3.3Å; G1586-D1639 WeakPolarHBondContact CA-O 3.02Å; G1586-Y1670 WeakPolarHBondContact O-CE1 3.37Å; G1586-Y1670 PolarHBondContact O-OH 3.3Å |
| 1587 | N | 80.2 | Confident | 76.5 | Confident | 27 Ų | 27 | 19.3 Ų | 19.3 | 14% | 0.144 | 10% | 0.101 | C | C | . | . | trans | -86 | 159.2 | 175.9 | -63.5 | -39.7 | 0 | 0 | 0 | 111.1 | G1582 F1583 T1585 L1609 L1610 A1611 | G1582-N1587 WeakPolarHBondContact CA-O 3.29Å; F1583-N1587 PolarHBondContact N-O 2.71Å; T1585-N1587 PolarHBondContact O-N 3.12Å; N1587-L1609 WeakPolarHBondContact CA-O 3.19Å; N1587-L1610 WeakPolarHBondContact OD1-CA 3Å; N1587-A1611 PolarHBondContact OD1-N 3.49Å | ||
| 1588 | V | 82.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.3 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | A1580 I1581 V1590 H1608 L1609 I1641 L1644 W1678 | A1580-V1588 HydrophobicContact CB-CG1 3.96Å; I1581-V1588 CarbonylContact O-C 3.58Å; I1581-V1588 VanDerWaalsContact O-CA 3.27Å; I1581-V1588 WeakPolarHBondContact O-CA 3.44Å; I1581-V1588 WeakPolarHBondContact O-CG1 3.47Å; V1588-V1590 HydrophobicContact CG1-CG2 4.46Å; V1588-H1608 CarbonylContact O-C 3.39Å; V1588-H1608 WeakPolarHBondContact O-CA 3.45Å; V1588-L1609 HydrophobicContact CB-CB 3.93Å; V1588-L1609 HydrophobicContact CB-CD1 3.91Å; V1588-L1609 HydrophobicContact CB-CG 3.97Å; V1588-L1609 HydrophobicContact CG1-CD1 4.04Å; V1588-L1609 HydrophobicContact CG1-CG 4.39Å; V1588-L1609 HydrophobicContact CG2-CD1 4.45Å; V1588-L1609 PolarHBondContact N-O 3.28Å; V1588-L1609 PolarHBondContact O-N 3.37Å; V1588-I1641 HydrophobicContact CG2-CD1 3.42Å; V1588-I1641 VanDerWaalsContact CG2-CD1 3.42Å; V1588-L1644 HydrophobicContact CG1-CD1 4.29Å; V1588-L1644 HydrophobicContact CG1-CD2 3.97Å; V1588-L1644 HydrophobicContact CG2-CD1 3.86Å; V1588-W1678 HydrophobicContact CG2-CH2 4.25Å; V1588-W1678 HydrophobicContact CG2-CZ3 4.39Å |
| 1589 | I | 83.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.4 | 165.8 | -59.8 | 172.7 | 0 | 0 | 0 | 108.5 | P1499 Y1564 I1581 F1583 Y1591 R1605 | P1499-I1589 HydrophobicContact CB-CD1 4.27Å; Y1564-I1589 HydrophobicContact CD1-CD1 3.85Å; Y1564-I1589 HydrophobicContact CE1-CD1 3.95Å; I1581-I1589 PolarHBondContact N-O 3.35Å; I1581-I1589 PolarHBondContact O-N 3.32Å; F1583-I1589 HydrophobicContact CD2-CG1 4.49Å; F1583-I1589 HydrophobicContact CE2-CB 4.04Å; F1583-I1589 HydrophobicContact CE2-CD1 3.66Å; F1583-I1589 HydrophobicContact CE2-CG1 3.71Å; F1583-I1589 HydrophobicContact CZ-CD1 3.89Å; F1583-I1589 HydrophobicContact CZ-CG1 4.42Å; I1589-Y1591 HydrophobicContact CB-CD2 4.46Å; I1589-Y1591 HydrophobicContact CB-CE2 3.84Å; I1589-Y1591 HydrophobicContact CG2-CD2 3.83Å; I1589-Y1591 HydrophobicContact CG2-CE1 4.31Å; I1589-Y1591 HydrophobicContact CG2-CE2 3.34Å; I1589-Y1591 HydrophobicContact CG2-CG 4.48Å; I1589-R1605 HydrophobicContact CG2-CG 3.65Å |
| 1590 | V | 85.4 | Confident | 73.8 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.6 | 173.4 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | W1578 V1579 A1580 V1588 R1606 Y1607 L1609 L1664 V1666 L1680 | W1578-V1590 HydrophobicContact CE3-CG1 3.88Å; W1578-V1590 HydrophobicContact CZ3-CG1 4.37Å; V1579-V1590 CarbonylContact O-C 3.52Å; V1579-V1590 VanDerWaalsContact O-CA 3.32Å; V1579-V1590 WeakPolarHBondContact O-CA 3.37Å; A1580-V1590 HydrophobicContact CB-CG2 4.17Å; V1588-V1590 HydrophobicContact CG1-CG2 4.46Å; V1590-R1606 PolarHBondContact O-N 3.13Å; V1590-Y1607 HydrophobicContact CB-CD2 4.18Å; V1590-Y1607 HydrophobicContact CG1-CD2 4.32Å; V1590-Y1607 PolarHBondContact N-O 2.88Å; V1590-Y1607 PolarHBondContact O-N 2.96Å; V1590-Y1607 VanDerWaalsContact O-N 3.14Å; V1590-L1609 HydrophobicContact CG2-CD1 3.89Å; V1590-L1609 HydrophobicContact CG2-CD2 4.16Å; V1590-L1609 HydrophobicContact CG2-CG 4.01Å; V1590-L1664 HydrophobicContact CG1-CD2 4.01Å; V1590-V1666 HydrophobicContact CG2-CG2 4.44Å; V1590-L1680 HydrophobicContact CG2-CD1 4.19Å |
| 1591 | Y | 82.8 | Confident | 72.8 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 138.8 | 175.9 | -63.8 | -95.5 | 0 | 0 | 0 | 110.1 | I1497 W1578 V1579 I1581 I1589 I1603 V1604 R1605 | I1497-Y1591 HydrophobicContact CG2-CE1 4.38Å; W1578-Y1591 WeakPolarHBondContact CA-O 3.43Å; V1579-Y1591 PolarHBondContact N-O 3.36Å; V1579-Y1591 PolarHBondContact O-N 3.02Å; I1581-Y1591 HydrophobicContact CD1-CD2 3.98Å; I1581-Y1591 HydrophobicContact CD1-CE2 3.85Å; I1581-Y1591 HydrophobicContact CG1-CD2 4.28Å; I1581-Y1591 HydrophobicContact CG1-CE2 4.33Å; I1589-Y1591 HydrophobicContact CB-CD2 4.46Å; I1589-Y1591 HydrophobicContact CB-CE2 3.84Å; I1589-Y1591 HydrophobicContact CG2-CD2 3.83Å; I1589-Y1591 HydrophobicContact CG2-CE1 4.31Å; I1589-Y1591 HydrophobicContact CG2-CE2 3.34Å; I1589-Y1591 HydrophobicContact CG2-CG 4.48Å; Y1591-I1603 HydrophobicContact CD1-CG2 3.82Å; Y1591-I1603 HydrophobicContact CG-CG2 4.4Å; Y1591-V1604 CarbonylContact C-O 3.54Å; Y1591-V1604 VanDerWaalsContact CA-O 3.23Å; Y1591-V1604 WeakPolarHBondContact CA-O 3.31Å; Y1591-R1605 HydrophobicContact CD1-CB 3.98Å; Y1591-R1605 HydrophobicContact CE1-CB 3.81Å; Y1591-R1605 HydrophobicContact CE1-CG 4.49Å |
| 1592 | S | 77.3 | Confident | 71.8 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.7 | 158.6 | 65.2 | 0 | 0 | 0 | 0 | 109.6 | N1577 H1594 V1604 R1606 | N1577-S1592 WeakPolarHBondContact O-CA 3.28Å; S1592-H1594 PolarHBondContact OG-NE2 2.73Å; S1592-V1604 PolarHBondContact N-O 3.32Å; S1592-V1604 PolarHBondContact O-N 3.15Å; S1592-R1606 WeakPolarHBondContact OG-CG 3.36Å; S1592-R1606 PolarHBondContact OG-NE 3.39Å |
| 1593 | L | 76.6 | Confident | 71.3 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 146.2 | 172 | -57.9 | -176 | 0 | 0 | 0 | 109.5 | L1458 F1471 N1577 V1579 F1595 L1600 I1603 | L1458-L1593 HydrophobicContact CD1-CD1 4.38Å; L1458-L1593 HydrophobicContact CD2-CD1 3.19Å; L1458-L1593 HydrophobicContact CG-CD1 4.4Å; F1471-L1593 HydrophobicContact CD1-CD2 4.39Å; F1471-L1593 HydrophobicContact CE1-CD1 4.46Å; F1471-L1593 HydrophobicContact CE1-CD2 3.96Å; N1577-L1593 PolarHBondContact O-N 3.25Å; V1579-L1593 HydrophobicContact CG2-CD1 3.45Å; V1579-L1593 VanDerWaalsContact CG2-CD1 3.45Å; V1579-L1593 HydrophobicContact CG2-CD2 4.24Å; V1579-L1593 HydrophobicContact CG2-CG 3.75Å; L1593-F1595 HydrophobicContact CB-CD1 4.25Å; L1593-F1595 HydrophobicContact CB-CE1 4.35Å; L1593-L1600 HydrophobicContact CB-CD1 4.25Å; L1593-I1603 HydrophobicContact CD2-CB 4.08Å; L1593-I1603 HydrophobicContact CD2-CD1 3.75Å; L1593-I1603 HydrophobicContact CD2-CG1 3.59Å; L1593-I1603 HydrophobicContact CD2-CG2 3.72Å |
| 1594 | H | 70.6 | Confident | 71 | Confident | 15 Ų | 15 | 28.8 Ų | 28.8 | 7% | 0.069 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 101.2 | 179.3 | -58.6 | -81.3 | 0 | 0 | 0 | 107.8 | S1592 Y1601 G1602 Y1685 | S1592-H1594 PolarHBondContact OG-NE2 2.73Å; H1594-Y1601 HydrophobicContact CB-CD2 4.09Å; H1594-Y1601 HydrophobicContact CB-CE1 4.2Å; H1594-Y1601 HydrophobicContact CB-CE2 3.56Å; H1594-Y1601 VanDerWaalsContact O-CD1 3.27Å; H1594-Y1601 WeakPolarHBondContact O-CD1 3.33Å; H1594-Y1601 PolarHBondContact O-N 3Å; H1594-G1602 PolarHBondContact N-O 2.93Å; H1594-G1602 PolarHBondContact O-N 3.1Å; H1594-Y1685 PolarHBondContact CE1-O 2.73Å; H1594-Y1685 VanDerWaalsContact CE1-O 3.31Å |
| 1595 | F | 66.3 | Low | 71.1 | Confident | 43 Ų | 43 | 27.8 Ų | 27.8 | 19% | 0.189 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.3 | 174.2 | 50.9 | -89.2 | 0 | 0 | 0 | 109.8 | W1450 F1473 L1593 Q1599 L1600 Y1601 | W1450-F1595 HydrophobicContact CH2-CE2 4.08Å; W1450-F1595 AromaticContact CH2-CZ 3.75Å; W1450-F1595 HydrophobicContact CH2-CZ 3.75Å; W1450-F1595 HydrophobicContact CZ3-CE2 4.34Å; W1450-F1595 AromaticContact CZ3-CZ 3.95Å; W1450-F1595 HydrophobicContact CZ3-CZ 3.95Å; F1473-F1595 HydrophobicContact CE1-CB 4.23Å; F1473-F1595 HydrophobicContact CE2-CB 4.11Å; F1473-F1595 HydrophobicContact CE2-CD1 4.38Å; F1473-F1595 HydrophobicContact CE2-CD2 4.12Å; F1473-F1595 AromaticContact CE2-CG 3.96Å; F1473-F1595 HydrophobicContact CE2-CG 3.96Å; F1473-F1595 HydrophobicContact CZ-CB 3.7Å; F1473-F1595 AromaticContact CZ-CD2 3.99Å; F1473-F1595 HydrophobicContact CZ-CD2 3.99Å; F1473-F1595 AromaticContact CZ-CG 3.92Å; F1473-F1595 HydrophobicContact CZ-CG 3.92Å; L1593-F1595 HydrophobicContact CB-CD1 4.25Å; L1593-F1595 HydrophobicContact CB-CE1 4.35Å; F1595-Q1599 CarbonylContact C-O 3.52Å; F1595-Q1599 VanDerWaalsContact CA-O 3.27Å; F1595-Q1599 WeakPolarHBondContact CA-O 3.22Å; F1595-L1600 HydrophobicContact CB-CB 4.27Å; F1595-L1600 HydrophobicContact CB-CD1 3.85Å; F1595-L1600 HydrophobicContact CD1-CD1 4.02Å; F1595-L1600 HydrophobicContact CG-CD1 4.44Å; F1595-Y1601 VanDerWaalsContact C-CE1 3.47Å |
| 1596 | D | 61.8 | Low | 71.3 | Confident | 91 Ų | 91 | 29.1 Ų | 29.1 | 49% | 0.487 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 171.8 | 162.9 | -61.9 | -38.1 | 0 | 0 | 0 | 107.6 | S1598 Q1599 Y1601 | D1596-S1598 PolarHBondContact O-N 3.14Å; D1596-Q1599 PolarHBondContact N-O 3.18Å; D1596-Q1599 PolarHBondContact O-N 3.15Å; D1596-Y1601 HydrophobicContact CB-CD1 4.44Å; D1596-Y1601 HydrophobicContact CB-CE1 4.26Å; D1596-Y1601 WeakPolarHBondContact OD1-CE1 3.25Å; D1596-Y1601 WeakPolarHBondContact OD2-CE1 3.4Å |
| 1597 | D | 56.2 | Low | 71.7 | Confident | 91 Ų | 91 | 30.2 Ų | 30.2 | 49% | 0.487 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -23.7 | -176.9 | -63.7 | -65 | 0 | 0 | 0 | 114.7 | P1475 K1476 L1478 | P1475-D1597 WeakPolarHBondContact CB-O 3.41Å; K1476-D1597 PolarHBondContact N-O 2.67Å; L1478-D1597 HydrophobicContact CD1-CB 3.79Å; L1478-D1597 HydrophobicContact CG-CB 4.38Å |
| 1598 | S | 53.7 | Low | 71.7 | Confident | 77 Ų | 77 | 29.7 Ų | 29.7 | 54% | 0.538 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -25.7 | -177.8 | 62.7 | 0 | 0 | 0 | 0 | 116 | P1475 D1596 | P1475-S1598 WeakPolarHBondContact CB-O 3.22Å; D1596-S1598 PolarHBondContact O-N 3.14Å |
| 1599 | Q | 61.4 | Low | 71.7 | Confident | 84 Ų | 84 | 29.7 Ų | 29.7 | 39% | 0.393 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 141.2 | -169.8 | -55.2 | -167.8 | 10.2 | 0 | 0 | 113.3 | F1595 D1596 Y1601 | F1595-Q1599 CarbonylContact C-O 3.52Å; F1595-Q1599 VanDerWaalsContact CA-O 3.27Å; F1595-Q1599 WeakPolarHBondContact CA-O 3.22Å; D1596-Q1599 PolarHBondContact N-O 3.18Å; D1596-Q1599 PolarHBondContact O-N 3.15Å; Q1599-Y1601 PolarHBondContact O-N 2.67Å |
| 1600 | L | 63.6 | Low | 71.3 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 111.9 | 163 | -175.8 | 60.5 | 0 | 0 | 0 | 108.2 | L1458 F1473 I1495 W1505 L1593 F1595 I1603 | L1458-L1600 HydrophobicContact CD1-CD2 4.13Å; F1473-L1600 HydrophobicContact CB-CB 4.2Å; F1473-L1600 HydrophobicContact CB-CD2 3.92Å; F1473-L1600 HydrophobicContact CD1-CB 3.7Å; F1473-L1600 HydrophobicContact CE1-CB 4.16Å; F1473-L1600 HydrophobicContact CG-CB 3.92Å; F1473-L1600 HydrophobicContact CG-CD2 4.29Å; I1495-L1600 HydrophobicContact CD1-CD2 4.08Å; I1495-L1600 HydrophobicContact CD1-CG 4.27Å; W1505-L1600 VanDerWaalsContact CZ3-O 3.29Å; W1505-L1600 WeakPolarHBondContact CZ3-O 3.34Å; L1593-L1600 HydrophobicContact CB-CD1 4.25Å; F1595-L1600 HydrophobicContact CB-CB 4.27Å; F1595-L1600 HydrophobicContact CB-CD1 3.85Å; F1595-L1600 HydrophobicContact CD1-CD1 4.02Å; F1595-L1600 HydrophobicContact CG-CD1 4.44Å; L1600-I1603 HydrophobicContact CD1-CG1 4.48Å; L1600-I1603 HydrophobicContact CD2-CD1 4.02Å; L1600-I1603 HydrophobicContact CD2-CG1 4.43Å; L1600-I1603 HydrophobicContact CG-CG1 4.47Å |
| 1601 | Y | 66 | Low | 70.4 | Confident | 52 Ų | 52 | 31.5 Ų | 31.5 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -8.9 | -172.7 | 65.9 | -95.7 | 0 | 0 | 0 | 114.2 | W1505 P1507 H1594 F1595 D1596 Q1599 | W1505-Y1601 VanDerWaalsContact CZ3-C 3.47Å; P1507-Y1601 WeakPolarHBondContact CD-O 3.31Å; H1594-Y1601 HydrophobicContact CB-CD2 4.09Å; H1594-Y1601 HydrophobicContact CB-CE1 4.2Å; H1594-Y1601 HydrophobicContact CB-CE2 3.56Å; H1594-Y1601 VanDerWaalsContact O-CD1 3.27Å; H1594-Y1601 WeakPolarHBondContact O-CD1 3.33Å; H1594-Y1601 PolarHBondContact O-N 3Å; F1595-Y1601 VanDerWaalsContact C-CE1 3.47Å; D1596-Y1601 HydrophobicContact CB-CD1 4.44Å; D1596-Y1601 HydrophobicContact CB-CE1 4.26Å; D1596-Y1601 WeakPolarHBondContact OD1-CE1 3.25Å; D1596-Y1601 WeakPolarHBondContact OD2-CE1 3.4Å; Q1599-Y1601 PolarHBondContact O-N 2.67Å |
| 1602 | G | 62.9 | Low | 69.4 | Low | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 138.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1505 H1594 | W1505-G1602 WeakPolarHBondContact O-CA 3.47Å; H1594-G1602 PolarHBondContact N-O 2.93Å; H1594-G1602 PolarHBondContact O-N 3.1Å |
| 1603 | I | 71.7 | Confident | 67.9 | Low | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.1 | 164.8 | -55.2 | -168.8 | 0 | 0 | 0 | 107.8 | F1471 I1495 I1497 W1505 Y1591 L1593 L1600 | F1471-I1603 HydrophobicContact CB-CD1 4.36Å; F1471-I1603 HydrophobicContact CD1-CD1 3.82Å; F1471-I1603 HydrophobicContact CD2-CD1 4.15Å; F1471-I1603 HydrophobicContact CE1-CD1 4.12Å; F1471-I1603 HydrophobicContact CE2-CD1 4.43Å; F1471-I1603 HydrophobicContact CG-CD1 3.86Å; F1471-I1603 HydrophobicContact CZ-CD1 4.42Å; I1495-I1603 HydrophobicContact CG2-CD1 4.29Å; I1497-I1603 HydrophobicContact CD1-CB 3.6Å; I1497-I1603 HydrophobicContact CD1-CD1 3.59Å; I1497-I1603 HydrophobicContact CD1-CG1 4.08Å; I1497-I1603 HydrophobicContact CD1-CG2 3.45Å; I1497-I1603 VanDerWaalsContact CD1-CG2 3.45Å; W1505-I1603 PolarHBondContact N-O 3.18Å; Y1591-I1603 HydrophobicContact CD1-CG2 3.82Å; Y1591-I1603 HydrophobicContact CG-CG2 4.4Å; L1593-I1603 HydrophobicContact CD2-CB 4.08Å; L1593-I1603 HydrophobicContact CD2-CD1 3.75Å; L1593-I1603 HydrophobicContact CD2-CG1 3.59Å; L1593-I1603 HydrophobicContact CD2-CG2 3.72Å; L1600-I1603 HydrophobicContact CD1-CG1 4.48Å; L1600-I1603 HydrophobicContact CD2-CD1 4.02Å; L1600-I1603 HydrophobicContact CD2-CG1 4.43Å; L1600-I1603 HydrophobicContact CG-CG1 4.47Å |
| 1604 | V | 71 | Confident | 66 | Low | 22 Ų | 22 | 46 Ų | 46 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 119.8 | -171.5 | -162.9 | 0 | 0 | 0 | 0 | 110.7 | Y1504 Y1591 S1592 R1606 | Y1504-V1604 HydrophobicContact CD2-CB 4.4Å; Y1504-V1604 HydrophobicContact CD2-CG1 4.12Å; Y1504-V1604 HydrophobicContact CD2-CG2 3.49Å; Y1504-V1604 VanDerWaalsContact CD2-CG2 3.49Å; Y1504-V1604 HydrophobicContact CE2-CG2 3.68Å; Y1591-V1604 CarbonylContact C-O 3.54Å; Y1591-V1604 VanDerWaalsContact CA-O 3.23Å; Y1591-V1604 WeakPolarHBondContact CA-O 3.31Å; S1592-V1604 PolarHBondContact N-O 3.32Å; S1592-V1604 PolarHBondContact O-N 3.15Å; V1604-R1606 PolarHBondContact O-N 3.02Å; V1604-R1606 VanDerWaalsContact O-N 3.17Å |
| 1605 | R | 75.1 | Confident | 64 | Low | 43 Ų | 43 | 51.2 Ų | 51.2 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 104.9 | 171.7 | 173.2 | 168.1 | 171.3 | -176.3 | -5.2 | 109.5 | P1499 Y1564 I1589 Y1591 C1694 | P1499-R1605 PolarHBondContact O-NH1 3.48Å; Y1564-R1605 PolarHBondContact OH-NH1 3.13Å; Y1564-R1605 PolarHBondContact OH-NH2 3.38Å; I1589-R1605 HydrophobicContact CG2-CG 3.65Å; Y1591-R1605 HydrophobicContact CD1-CB 3.98Å; Y1591-R1605 HydrophobicContact CE1-CB 3.81Å; Y1591-R1605 HydrophobicContact CE1-CG 4.49Å; R1605-C1694 HydrophobicContact CG-CB 4.08Å |
| 1606 | R | 75.7 | Confident | 62.1 | Low | 46 Ų | 46 | 56.7 Ų | 56.7 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -52.8 | -173.5 | -71 | -100.3 | -167.9 | 150.2 | 1.6 | 112.5 | W1578 V1590 S1592 V1604 C1684 C1694 V1695 | W1578-R1606 HydrophobicContact CH2-CB 4.37Å; W1578-R1606 HydrophobicContact CH2-CG 4.04Å; W1578-R1606 HydrophobicContact CZ3-CB 3.81Å; W1578-R1606 HydrophobicContact CZ3-CG 3.72Å; V1590-R1606 PolarHBondContact O-N 3.13Å; S1592-R1606 WeakPolarHBondContact OG-CG 3.36Å; S1592-R1606 PolarHBondContact OG-NE 3.39Å; V1604-R1606 PolarHBondContact O-N 3.02Å; V1604-R1606 VanDerWaalsContact O-N 3.17Å; R1606-C1684 PolarHBondContact NH1-O 2.96Å; R1606-C1694 CarbonylContact O-C 3.58Å; R1606-C1694 VanDerWaalsContact O-CA 3.29Å; R1606-C1694 WeakPolarHBondContact O-CA 3.44Å; R1606-V1695 PolarHBondContact O-N 2.91Å |
| 1607 | Y | 80.5 | Confident | 60.3 | Low | 24 Ų | 24 | 60.2 Ų | 60.2 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 152.7 | -177.5 | -49.6 | -88.7 | 0 | 0 | 0 | 111.8 | W1578 V1590 L1680 S1681 D1682 C1694 V1695 V1697 | W1578-Y1607 AromaticContact CH2-CE2 3.9Å; W1578-Y1607 HydrophobicContact CH2-CE2 3.9Å; W1578-Y1607 HydrophobicContact CZ3-CD2 4.16Å; W1578-Y1607 AromaticContact CZ3-CE2 3.77Å; W1578-Y1607 HydrophobicContact CZ3-CE2 3.77Å; V1590-Y1607 HydrophobicContact CB-CD2 4.18Å; V1590-Y1607 HydrophobicContact CG1-CD2 4.32Å; V1590-Y1607 PolarHBondContact N-O 2.88Å; V1590-Y1607 PolarHBondContact O-N 2.96Å; V1590-Y1607 VanDerWaalsContact O-N 3.14Å; Y1607-L1680 HydrophobicContact CD1-CD2 3.89Å; Y1607-L1680 HydrophobicContact CD2-CD1 3.93Å; Y1607-L1680 HydrophobicContact CE1-CD2 4.24Å; Y1607-L1680 HydrophobicContact CE2-CD1 4.3Å; Y1607-L1680 HydrophobicContact CG-CD1 4.15Å; Y1607-L1680 HydrophobicContact CG-CD2 4.05Å; Y1607-S1681 PolarHBondContact OH-O 2.72Å; Y1607-D1682 PolarHBondContact OH-O 2.6Å; Y1607-C1694 VanDerWaalsContact C-SG 3.58Å; Y1607-V1695 CarbonylContact C-O 3.56Å; Y1607-V1695 WeakPolarHBondContact CA-O 3.48Å; Y1607-V1695 HydrophobicContact CD1-CB 4.11Å; Y1607-V1697 HydrophobicContact CD1-CG2 3.99Å |
| 1608 | H | 81.2 | Confident | 58.8 | Low | 16 Ų | 16 | 65.4 Ų | 65.4 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 101.9 | 175.1 | 178.4 | -133 | 0 | 0 | 0 | 108.1 | V1588 L1610 V1695 N1696 V1697 | V1588-H1608 CarbonylContact O-C 3.39Å; V1588-H1608 WeakPolarHBondContact O-CA 3.45Å; H1608-L1610 VanDerWaalsContact CE1-CD2 3.47Å; H1608-L1610 WeakPolarHBondContact CE1-CD2 3.16Å; H1608-L1610 PolarHBondContact O-N 3Å; H1608-V1695 PolarHBondContact N-O 3.08Å; H1608-N1696 PolarHBondContact ND1-OD1 3.38Å; H1608-N1696 CarbonylContact O-C 3.6Å; H1608-N1696 VanDerWaalsContact O-CA 3.3Å; H1608-N1696 WeakPolarHBondContact O-CA 3.37Å; H1608-V1697 PolarHBondContact O-N 3.21Å |
| 1609 | L | 82.6 | Confident | 57.4 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 112.4 | -174.6 | -34 | -178.6 | 0 | 0 | 0 | 108 | N1587 V1588 V1590 V1666 W1678 L1680 V1697 | N1587-L1609 WeakPolarHBondContact CA-O 3.19Å; V1588-L1609 HydrophobicContact CB-CB 3.93Å; V1588-L1609 HydrophobicContact CB-CD1 3.91Å; V1588-L1609 HydrophobicContact CB-CG 3.97Å; V1588-L1609 HydrophobicContact CG1-CD1 4.04Å; V1588-L1609 HydrophobicContact CG1-CG 4.39Å; V1588-L1609 HydrophobicContact CG2-CD1 4.45Å; V1588-L1609 PolarHBondContact N-O 3.28Å; V1588-L1609 PolarHBondContact O-N 3.37Å; V1590-L1609 HydrophobicContact CG2-CD1 3.89Å; V1590-L1609 HydrophobicContact CG2-CD2 4.16Å; V1590-L1609 HydrophobicContact CG2-CG 4.01Å; L1609-V1666 HydrophobicContact CD1-CB 3.81Å; L1609-V1666 HydrophobicContact CD1-CG1 3.83Å; L1609-V1666 HydrophobicContact CD1-CG2 3.88Å; L1609-W1678 HydrophobicContact CB-CD2 3.95Å; L1609-W1678 HydrophobicContact CB-CG 4.07Å; L1609-W1678 HydrophobicContact CB-CZ2 4.15Å; L1609-W1678 HydrophobicContact CD1-CB 4.05Å; L1609-W1678 HydrophobicContact CD1-CD2 3.82Å; L1609-W1678 HydrophobicContact CD1-CE3 3.97Å; L1609-W1678 HydrophobicContact CD1-CG 3.87Å; L1609-W1678 HydrophobicContact CD2-CG 4.43Å; L1609-W1678 HydrophobicContact CG-CD2 4.45Å; L1609-W1678 HydrophobicContact CG-CG 4.35Å; L1609-L1680 HydrophobicContact CD2-CD1 4.21Å; L1609-L1680 HydrophobicContact CD2-CD2 3.84Å; L1609-V1697 CarbonylContact C-O 3.58Å; L1609-V1697 VanDerWaalsContact CA-O 3.32Å; L1609-V1697 WeakPolarHBondContact CA-O 3.38Å; L1609-V1697 HydrophobicContact CD2-CB 3.92Å; L1609-V1697 HydrophobicContact CD2-CG2 4.36Å |
| 1610 | L | 75.6 | Confident | 55.7 | Low | 24 Ų | 24 | 69.7 Ų | 69.7 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | trans | -84.3 | 138.6 | -174.1 | -72.7 | 168.2 | 0 | 0 | 0 | 110.9 | N1587 H1608 S1612 N1696 V1697 Y1698 | N1587-L1610 WeakPolarHBondContact OD1-CA 3Å; H1608-L1610 VanDerWaalsContact CE1-CD2 3.47Å; H1608-L1610 WeakPolarHBondContact CE1-CD2 3.16Å; H1608-L1610 PolarHBondContact O-N 3Å; L1610-S1612 VanDerWaalsContact C-N 3.26Å; L1610-S1612 PolarHBondContact O-N 2.94Å; L1610-N1696 HydrophobicContact CD1-CB 3.92Å; L1610-V1697 PolarHBondContact N-O 2.91Å; L1610-Y1698 HydrophobicContact CB-CD1 3.85Å; L1610-Y1698 HydrophobicContact CB-CE1 3.71Å; L1610-Y1698 HydrophobicContact CD1-CD1 4.25Å; L1610-Y1698 HydrophobicContact CD1-CE1 3.41Å; L1610-Y1698 VanDerWaalsContact CD1-CE1 3.41Å; L1610-Y1698 HydrophobicContact CG-CE1 4.2Å | ||
| 1611 | A | 65.2 | Low | 53.7 | Low | 15 Ų | 15 | 76.7 Ų | 76.7 | 12% | 0.124 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -64.3 | -31.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | G1586 N1587 K1676 | G1586-A1611 VanDerWaalsContact O-CB 3.3Å; G1586-A1611 WeakPolarHBondContact O-CB 3.18Å; N1587-A1611 PolarHBondContact OD1-N 3.49Å; A1611-K1676 PolarHBondContact O-NZ 2.91Å |
| 1612 | S | 63.4 | Low | 51.8 | Low | 65 Ų | 65 | 83.2 Ų | 83.2 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -159.9 | 150.7 | -170.9 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | L1610 H1614 | L1610-S1612 VanDerWaalsContact C-N 3.26Å; L1610-S1612 PolarHBondContact O-N 2.94Å; S1612-H1614 PolarHBondContact O-N 3.07Å |
| 1613 | D | 45.3 | Very low | 50 | Low | 94 Ų | 94 | 89.1 Ų | 89.1 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | trans | -63.5 | 111.6 | 168.1 | -103.7 | 15.3 | 0 | 0 | 0 | 110.8 | N1615 Y1698 | D1613-N1615 HydrophobicContact CB-CB 4.31Å; D1613-N1615 PolarHBondContact O-N 2.9Å; D1613-N1615 PolarHBondContact OD2-ND2 2.94Å; D1613-Y1698 VanDerWaalsContact OD1-CD1 3.26Å; D1613-Y1698 WeakPolarHBondContact OD1-CD1 3.31Å; D1613-Y1698 VanDerWaalsContact OD1-CE1 3.31Å; D1613-Y1698 WeakPolarHBondContact OD1-CE1 3.23Å | ||
| 1614 | H | 36.8 | Very low | 47.6 | Very low | 154 Ų | 154 | 97 Ų | 97 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | trans | -79.2 | 50.2 | 165.8 | -95.1 | -62 | 0 | 0 | 0 | 111.5 | S1612 L1616 | S1612-H1614 PolarHBondContact O-N 3.07Å; H1614-L1616 PolarHBondContact O-N 3.33Å | ||
| 1615 | N | 27.4 | Very low | 45.4 | Very low | 125 Ų | 125 | 103.7 Ų | 103.7 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | trans | -82.9 | 57.2 | 179.1 | -95.6 | -43.8 | 0 | 0 | 0 | 112.4 | D1613 | D1613-N1615 HydrophobicContact CB-CB 4.31Å; D1613-N1615 PolarHBondContact O-N 2.9Å; D1613-N1615 PolarHBondContact OD2-ND2 2.94Å | ||
| 1616 | L | 27.7 | Very low | 43 | Very low | 158 Ų | 158 | 111.5 Ų | 111.5 | 83% | 0.827 | 55% | 0.546 | S | S | * | . | trans | -133.1 | 66.1 | 171.6 | -80.5 | 178.2 | 0 | 0 | 0 | 111.9 | H1614 | H1614-L1616 PolarHBondContact O-N 3.33Š| ||
| 1617 | N | 23.9 | Very low | 40.5 | Very low | 166 Ų | 166 | 113.9 Ų | 113.9 | 89% | 0.888 | 57% | 0.57 | S | S | * | * | trans | -168.6 | 68.2 | 144.6 | -101.4 | -31.4 | 0 | 0 | 0 | 111.7 | ||||
| 1618 | K | 25.1 | Very low | 37.8 | Very low | 199 Ų | 199 | 118.5 Ų | 118.5 | 87% | 0.865 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -107.3 | 100.2 | 152.8 | -102.5 | -173.7 | 176.3 | 178.8 | 0 | 109.8 | ||
| 1619 | T | 23.6 | Very low | 35 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 69% | 0.693 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 63.6 | 127.9 | 151.9 | 56.5 | 0 | 0 | 0 | 0 | 119.4 | ||
| 1620 | N | 24.5 | Very low | 32.3 | Very low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | trans | 76.4 | 118.9 | 156.9 | -51.2 | -14.5 | 0 | 0 | 0 | 114.5 | ||||
| 1621 | N | 22.8 | Very low | 29.8 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | 56 | 84.7 | 74.5 | -70.2 | -11.7 | 0 | 0 | 0 | 112.4 | |||||
| 1622 | E | 26.5 | Very low | 27.8 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | -169.1 | 140.8 | 127.7 | -104.1 | 158.2 | -150.4 | 0 | 0 | 113.8 | |||||
| 1623 | E | 23.5 | Very low | 26 | Very low | 125 Ų | 125 | 141 Ų | 141 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | trans | 26.5 | 109.8 | 153.6 | -53.8 | -109.9 | 107.6 | 0 | 0 | 120 | ||||
| 1624 | K | 22.5 | Very low | 25.2 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 74% | 0.735 | 77% | 0.767 | S | S | * | * | 56.6 | 110.9 | 82.3 | -63.1 | 178.2 | -156.5 | 142.2 | 0 | 116.5 | |||||
| 1625 | K | 23.8 | Very low | 24.6 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | -179.8 | 149.8 | 123.7 | -97.3 | 147.7 | -170.9 | 155.3 | 0 | 111.9 | |||||
| 1626 | Y | 26.3 | Very low | 24.8 | Very low | 206 Ų | 206 | 138.1 Ų | 138.1 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 54.6 | 88.2 | 173 | -47.7 | -60.2 | 0 | 0 | 0 | 116.2 | ||||
| 1627 | S | 22.5 | Very low | 25.2 | Very low | 97 Ų | 97 | 139 Ų | 139 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | cis | 88.3 | 127 | 37.6 | 87.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1628 | S | 23.2 | Very low | 26.6 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | 60.7 | 135.8 | 177.9 | 53.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1629 | S | 23.2 | Very low | 28.4 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | cis | -142.6 | 159.9 | 4.8 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1630 | S | 25 | Very low | 30.5 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | trans | 37.2 | 95.5 | 157.1 | 55.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1631 | L | 23.4 | Very low | 33 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 87% | 0.874 | 66% | 0.657 | S | S | * | * | 38.3 | 118.7 | 69.8 | -56.9 | 91.4 | 0 | 0 | 0 | 111.1 | |||||
| 1632 | S | 22.7 | Very low | 35.4 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | cis | -88.1 | 168.4 | 33 | 50.8 | 0 | 0 | 0 | 0 | 117.3 | S1634 | S1632-S1634 PolarHBondContact O-N 2.91Š|
| 1633 | S | 26.4 | Very low | 37.7 | Very low | 114 Ų | 114 | 107.4 Ų | 107.4 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 124.1 | -174.8 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | S1635 | S1633-S1635 PolarHBondContact O-N 3.45Š|
| 1634 | S | 27.6 | Very low | 40.5 | Very low | 116 Ų | 116 | 102 Ų | 102 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 125.4 | 174.5 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | S1632 T1636 | S1632-S1634 PolarHBondContact O-N 2.91Å; S1634-T1636 PolarHBondContact O-N 3.44Å |
| 1635 | S | 25.3 | Very low | 43.2 | Very low | 103 Ų | 103 | 96 Ų | 96 | 72% | 0.72 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.4 | 165.4 | 41.2 | 0 | 0 | 0 | 0 | 110.1 | S1633 L1637 | S1633-S1635 PolarHBondContact O-N 3.45Å; S1635-L1637 PolarHBondContact O-N 3.32Å |
| 1636 | T | 31.2 | Very low | 45.9 | Very low | 93 Ų | 93 | 89.3 Ų | 89.3 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 119.1 | 161.9 | 28 | 0 | 0 | 0 | 0 | 108 | S1634 H1638 | S1634-T1636 PolarHBondContact O-N 3.44Å; T1636-H1638 WeakPolarHBondContact CB-NE2 3.42Å; T1636-H1638 PolarHBondContact O-CD2 2.94Å; T1636-H1638 PolarHBondContact O-N 3.42Å; T1636-H1638 PolarHBondContact OG1-CD2 3.26Å; T1636-H1638 VanDerWaalsContact OG1-CD2 3.3Å; T1636-H1638 PolarHBondContact OG1-NE2 3.03Å |
| 1637 | L | 36.6 | Very low | 48.3 | Very low | 175 Ų | 175 | 82.6 Ų | 82.6 | 92% | 0.916 | 50% | 0.499 | S | S | * | . | trans | -71.2 | 79.3 | 173.5 | -84.8 | 164.1 | 0 | 0 | 0 | 108.9 | S1635 D1639 | S1635-L1637 PolarHBondContact O-N 3.32Å; L1637-D1639 PolarHBondContact O-N 3.34Å; L1637-D1639 VanDerWaalsContact O-N 3.12Å | ||
| 1638 | H | 52.5 | Low | 50.7 | Low | 84 Ų | 84 | 78.4 Ų | 78.4 | 39% | 0.389 | 47% | 0.469 | S | S | . | . | trans | -65.4 | 108.5 | 173.7 | -70.7 | -81.2 | 0 | 0 | 0 | 108.9 | N1584 T1585 T1636 H1640 | N1584-H1638 WeakPolarHBondContact O-CB 3.15Å; T1585-H1638 PolarHBondContact O-ND1 3.18Å; T1636-H1638 WeakPolarHBondContact CB-NE2 3.42Å; T1636-H1638 PolarHBondContact O-CD2 2.94Å; T1636-H1638 PolarHBondContact O-N 3.42Å; T1636-H1638 PolarHBondContact OG1-CD2 3.26Å; T1636-H1638 VanDerWaalsContact OG1-CD2 3.3Å; T1636-H1638 PolarHBondContact OG1-NE2 3.03Å; H1638-H1640 PolarHBondContact O-N 2.61Å | ||
| 1639 | D | 63.8 | Low | 52.9 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 129.6 | 172.2 | -163 | 5.7 | 0 | 0 | 0 | 108.9 | G1586 L1637 Y1670 G1671 S1672 | G1586-D1639 VanDerWaalsContact CA-O 3.3Å; G1586-D1639 WeakPolarHBondContact CA-O 3.02Å; L1637-D1639 PolarHBondContact O-N 3.34Å; L1637-D1639 VanDerWaalsContact O-N 3.12Å; D1639-Y1670 HydrophobicContact CB-CD1 4.05Å; D1639-Y1670 WeakPolarHBondContact O-CD1 3.27Å; D1639-Y1670 WeakPolarHBondContact OD2-CB 3.25Å; D1639-G1671 WeakPolarHBondContact OD1-CA 3.37Å; D1639-G1671 PolarHBondContact OD1-N 3.05Å; D1639-S1672 PolarHBondContact OD1-N 2.77Å; D1639-S1672 VanDerWaalsContact OD1-N 3.14Å; D1639-S1672 WeakPolarHBondContact OD2-CB 3.39Å; D1639-S1672 PolarHBondContact OD2-N 3.31Å; D1639-S1672 PolarHBondContact OD2-OG 2.72Å |
| 1640 | H | 68 | Low | 54.6 | Low | 48 Ų | 48 | 74.5 Ų | 74.5 | 22% | 0.222 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 143 | -170.2 | 48.3 | -78.3 | 0 | 0 | 0 | 110 | H1638 L1642 Y1670 G1671 | H1638-H1640 PolarHBondContact O-N 2.61Å; H1640-L1642 PolarHBondContact O-N 3.1Å; H1640-Y1670 CarbonylContact O-C 3.55Å; H1640-Y1670 WeakPolarHBondContact O-CA 3.44Å; H1640-G1671 PolarHBondContact O-N 3.32Å |
| 1641 | I | 75.6 | Confident | 55.9 | Low | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.01 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 116.1 | 176.2 | -63.3 | 174.2 | 0 | 0 | 0 | 108.3 | T1568 A1569 V1588 H1643 L1644 Y1670 | T1568-I1641 WeakPolarHBondContact CB-O 3.44Å; T1568-I1641 PolarHBondContact OG1-O 3.21Å; A1569-I1641 HydrophobicContact CB-CG2 3.99Å; V1588-I1641 HydrophobicContact CG2-CD1 3.42Å; V1588-I1641 VanDerWaalsContact CG2-CD1 3.42Å; I1641-H1643 WeakPolarHBondContact CG2-O 3.48Å; I1641-L1644 HydrophobicContact CG2-CB 4.22Å; I1641-L1644 HydrophobicContact CG2-CD1 4.25Å; I1641-Y1670 HydrophobicContact CD1-CE1 4.32Å; I1641-Y1670 HydrophobicContact CG1-CD1 4Å; I1641-Y1670 HydrophobicContact CG1-CE1 3.67Å; I1641-Y1670 HydrophobicContact CG1-CE2 4.48Å |
| 1642 | L | 73.6 | Confident | 56.8 | Low | 51 Ų | 51 | 70.6 Ų | 70.6 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -45.2 | 175.6 | -73.6 | 176.3 | 0 | 0 | 0 | 111.6 | H1640 V1669 | H1640-L1642 PolarHBondContact O-N 3.1Å; L1642-V1669 PolarHBondContact N-O 3.08Å |
| 1643 | H | 75 | Confident | 57.1 | Low | 62 Ų | 62 | 70.7 Ų | 70.7 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139.2 | 179.2 | -51.9 | -60.6 | 0 | 0 | 0 | 110.3 | I1641 V1669 S1746 | I1641-H1643 WeakPolarHBondContact CG2-O 3.48Å; H1643-V1669 HydrophobicContact CB-CB 4.08Å; H1643-V1669 HydrophobicContact CB-CG2 4.27Å; H1643-V1669 PolarHBondContact N-O 3.43Å; H1643-V1669 PolarHBondContact O-N 3.16Å; H1643-S1746 WeakPolarHBondContact CB-OG 3.48Å; H1643-S1746 PolarHBondContact CD2-OG 2.87Å |
| 1644 | L | 81.9 | Confident | 57.3 | Low | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.4 | 176 | -165.7 | 73.4 | 0 | 0 | 0 | 108 | A1569 S1571 A1580 V1588 I1641 V1666 V1667 | A1569-L1644 HydrophobicContact CB-CB 3.84Å; S1571-L1644 WeakPolarHBondContact CB-O 3.31Å; S1571-L1644 PolarHBondContact OG-O 3.22Å; A1580-L1644 HydrophobicContact CB-CD2 3.64Å; A1580-L1644 HydrophobicContact CB-CG 4.42Å; A1580-L1644 WeakPolarHBondContact O-CD2 3.5Å; V1588-L1644 HydrophobicContact CG1-CD1 4.29Å; V1588-L1644 HydrophobicContact CG1-CD2 3.97Å; V1588-L1644 HydrophobicContact CG2-CD1 3.86Å; I1641-L1644 HydrophobicContact CG2-CB 4.22Å; I1641-L1644 HydrophobicContact CG2-CD1 4.25Å; L1644-V1666 HydrophobicContact CD1-CG1 3.87Å; L1644-V1666 HydrophobicContact CG-CG1 4.34Å; L1644-V1667 WeakPolarHBondContact CA-O 3.47Å |
| 1645 | H | 80.2 | Confident | 57.5 | Low | 41 Ų | 41 | 71 Ų | 71 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135 | 179.1 | -57.2 | -90.5 | 0 | 0 | 0 | 109.3 | S1571 V1667 S1746 C1748 | S1571-H1645 WeakPolarHBondContact OG-CA 3.49Å; H1645-V1667 HydrophobicContact CB-CB 4.35Å; H1645-V1667 PolarHBondContact N-O 3.17Å; H1645-V1667 PolarHBondContact O-N 3.37Å; H1645-S1746 PolarHBondContact NE2-OG 2.73Å; H1645-C1748 HydrophobicContact CB-CB 4.22Å |
| 1646 | T | 80.5 | Confident | 58 | Low | 24 Ų | 24 | 73.9 Ų | 73.9 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.9 | 175.5 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | S1571 F1572 W1573 A1580 I1665 V1666 | S1571-T1646 WeakPolarHBondContact CB-OG1 3.45Å; S1571-T1646 PolarHBondContact OG-N 3.39Å; S1571-T1646 VanDerWaalsContact OG-N 3.16Å; S1571-T1646 PolarHBondContact OG-OG1 3.46Å; F1572-T1646 PolarHBondContact O-OG1 3.46Å; W1573-T1646 PolarHBondContact N-OG1 3.08Å; A1580-T1646 HydrophobicContact CB-CG2 3.55Å; T1646-I1665 WeakPolarHBondContact CA-O 3.33Å; T1646-V1666 HydrophobicContact CG2-CB 4.43Å; T1646-V1666 HydrophobicContact CG2-CG1 4.04Å; T1646-V1666 HydrophobicContact CG2-CG2 4.12Å |
| 1647 | W | 76.2 | Confident | 58.1 | Low | 65 Ų | 65 | 77 Ų | 77 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 148.9 | 179.6 | -172 | 83.2 | 0 | 0 | 0 | 109.6 | H1649 I1665 L1750 L1781 L1799 | W1647-H1649 HydrophobicContact CH2-CB 4.14Å; W1647-H1649 AromaticContact CH2-CD2 3.65Å; W1647-H1649 HydrophobicContact CZ3-CB 3.68Å; W1647-H1649 AromaticContact CZ3-CD2 3.77Å; W1647-I1665 HydrophobicContact CE3-CD1 3.68Å; W1647-I1665 HydrophobicContact CE3-CG1 4.19Å; W1647-I1665 HydrophobicContact CZ3-CD1 3.94Å; W1647-I1665 PolarHBondContact N-O 3.14Å; W1647-I1665 WeakPolarHBondContact O-CA 3.43Å; W1647-I1665 PolarHBondContact O-N 3.17Å; W1647-L1750 HydrophobicContact CH2-CD1 4.46Å; W1647-L1750 HydrophobicContact CZ2-CD1 3.83Å; W1647-L1750 HydrophobicContact CZ2-CD2 4.07Å; W1647-L1781 HydrophobicContact CD2-CD1 4.04Å; W1647-L1781 HydrophobicContact CD2-CD2 4.16Å; W1647-L1781 HydrophobicContact CE3-CD2 3.94Å; W1647-L1781 HydrophobicContact CG-CD1 4.13Å; W1647-L1781 HydrophobicContact CZ3-CD2 4.35Å; W1647-L1799 HydrophobicContact CH2-CD2 4.46Å; W1647-L1799 HydrophobicContact CZ3-CD2 3.78Å |
| 1648 | M | 73.7 | Confident | 57.9 | Low | 10 Ų | 10 | 72 Ų | 72 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.9 | 179.2 | -172.1 | 145.1 | 66.5 | 0 | 0 | 110.9 | W1573 K1662 L1663 L1664 A1683 | W1573-M1648 HydrophobicContact CD2-CB 4.46Å; W1573-M1648 HydrophobicContact CD2-CE 3.61Å; W1573-M1648 VanDerWaalsContact CE2-CE 3.44Å; W1573-M1648 HydrophobicContact CE3-CE 3.63Å; W1573-M1648 HydrophobicContact CG-CB 4.38Å; W1573-M1648 HydrophobicContact CG-CE 4.44Å; W1573-M1648 HydrophobicContact CH2-CE 3.34Å; W1573-M1648 HydrophobicContact CZ2-CB 4.47Å; W1573-M1648 HydrophobicContact CZ2-CE 3.35Å; W1573-M1648 HydrophobicContact CZ3-CE 3.47Å; W1573-M1648 VanDerWaalsContact CZ3-CE 3.47Å; M1648-K1662 HydrophobicContact CE-CB 4.22Å; M1648-K1662 HydrophobicContact CE-CD 3.71Å; M1648-K1662 HydrophobicContact CG-CB 3.94Å; M1648-K1662 HydrophobicContact SD-CB 3.54Å; M1648-K1662 VanDerWaalsContact SD-CB 3.54Å; M1648-K1662 HydrophobicContact SD-CD 4.2Å; M1648-L1663 WeakPolarHBondContact CA-O 3.11Å; M1648-L1663 WeakPolarHBondContact CG-O 3.2Å; M1648-L1664 HydrophobicContact CB-CD1 4.25Å; M1648-L1664 HydrophobicContact SD-CB 4.1Å; M1648-L1664 HydrophobicContact SD-CD1 4.46Å; M1648-A1683 HydrophobicContact SD-CB 4.34Å |
| 1649 | H | 68.2 | Low | 57.5 | Low | 38 Ų | 38 | 76.6 Ų | 76.6 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.2 | 171.9 | -162.2 | -87 | 0 | 0 | 0 | 109.3 | W1647 D1651 C1652 L1663 | W1647-H1649 HydrophobicContact CH2-CB 4.14Å; W1647-H1649 AromaticContact CH2-CD2 3.65Å; W1647-H1649 HydrophobicContact CZ3-CB 3.68Å; W1647-H1649 AromaticContact CZ3-CD2 3.77Å; H1649-D1651 PolarHBondContact CE1-O 3.19Å; H1649-D1651 PolarHBondContact ND1-N 3.07Å; H1649-C1652 PolarHBondContact ND1-SG 3.48Å; H1649-C1652 VanDerWaalsContact ND1-SG 3.36Å; H1649-L1663 HydrophobicContact CB-CB 4.18Å; H1649-L1663 HydrophobicContact CB-CD2 4.15Å; H1649-L1663 PolarHBondContact N-O 2.99Å; H1649-L1663 PolarHBondContact O-N 2.89Å; H1649-L1663 VanDerWaalsContact O-N 3.14Å |
| 1650 | E | 58.7 | Low | 56.7 | Low | 101 Ų | 101 | 78 Ų | 78 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | trans | -97.7 | -30.6 | -179.7 | -50.5 | -148.4 | 111.1 | 0 | 0 | 112.4 | C1652 K1662 | E1650-C1652 PolarHBondContact O-N 3.04Å; E1650-K1662 VanDerWaalsContact OE1-CE 3.3Å; E1650-K1662 WeakPolarHBondContact OE1-CE 3.4Å; E1650-K1662 IonicContact OE1-NZ 3.72Å; E1650-K1662 PolarHBondContact OE1-NZ 3.13Å | ||
| 1651 | D | 52.2 | Low | 55.7 | Low | 131 Ų | 131 | 78 Ų | 78 | 70% | 0.701 | 41% | 0.412 | S | S | * | . | trans | -80.1 | 49.9 | -175 | -65.6 | -45.2 | 0 | 0 | 0 | 114.1 | H1649 T1653 | H1649-D1651 PolarHBondContact CE1-O 3.19Å; H1649-D1651 PolarHBondContact ND1-N 3.07Å; D1651-T1653 PolarHBondContact O-N 3.18Å | ||
| 1652 | C | 42.3 | Very low | 55.2 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 32% | 0.324 | 42% | 0.424 | S | S | . | . | trans | -96.5 | 54.5 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | H1649 E1650 C1661 | H1649-C1652 PolarHBondContact ND1-SG 3.48Å; H1649-C1652 VanDerWaalsContact ND1-SG 3.36Å; E1650-C1652 PolarHBondContact O-N 3.04Å; C1652-C1661 WeakPolarHBondContact CB-O 3.29Å | ||
| 1653 | T | 29.3 | Very low | 55.1 | Low | 120 Ų | 120 | 79.2 Ų | 79.2 | 74% | 0.736 | 42% | 0.416 | S | S | * | . | trans | -117.3 | 59.5 | -167.6 | 43.9 | 0 | 0 | 0 | 0 | 114.2 | D1651 | D1651-T1653 PolarHBondContact O-N 3.18Š| ||
| 1654 | E | 31.9 | Very low | 55.2 | Low | 152 Ų | 152 | 76.3 Ų | 76.3 | 71% | 0.71 | 40% | 0.403 | S | S | * | . | trans | -123.2 | 40.5 | 168.1 | -77 | -164.3 | -165.5 | 0 | 0 | 113.3 | K1804 | E1654-K1804 IonicContact OE1-NZ 2.79Å; E1654-K1804 PolarHBondContact OE1-NZ 3.5Å; E1654-K1804 IonicContact OE2-NZ 2.86Å; E1654-K1804 PolarHBondContact OE2-NZ 3.41Å | ||
| 1655 | S | 31.2 | Very low | 55.2 | Low | 83 Ų | 83 | 75.9 Ų | 75.9 | 58% | 0.58 | 40% | 0.4 | S | S | * | . | trans | -149.4 | 143.9 | 160.8 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1656 | I | 35.2 | Very low | 55.3 | Low | 165 Ų | 165 | 73.9 Ų | 73.9 | 85% | 0.846 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -86.7 | -22.5 | -157.1 | -70.8 | 173.1 | 0 | 0 | 0 | 114 | ||
| 1657 | D | 33.1 | Very low | 55.5 | Low | 158 Ų | 158 | 73 Ų | 73 | 85% | 0.845 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -116.3 | 1.8 | -161.9 | -66.6 | -67.1 | 0 | 0 | 0 | 116.6 | ||
| 1658 | S | 32.9 | Very low | 55.8 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 49% | 0.49 | 37% | 0.374 | S | S | . | . | trans | -138.7 | 97.2 | -171.4 | 59.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1659 | K | 43.4 | Very low | 56.1 | Low | 180 Ų | 180 | 69.4 Ų | 69.4 | 78% | 0.783 | 37% | 0.371 | S | S | * | . | trans | 22.6 | 108.8 | 144.8 | -60.5 | 174.2 | -177.4 | 172.3 | 0 | 118.5 | C1661 | K1659-C1661 VanDerWaalsContact C-N 3.32Å; K1659-C1661 PolarHBondContact O-N 3.09Å; K1659-C1661 PolarHBondContact O-SG 2.97Å | ||
| 1660 | D | 46.7 | Very low | 56.6 | Low | 78 Ų | 78 | 67.6 Ų | 67.6 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | trans | 40.7 | 45.2 | 147.3 | -47.8 | -17.3 | 0 | 0 | 0 | 117.4 | K1662 K1686 | D1660-K1662 VanDerWaalsContact C-N 3.26Å; D1660-K1662 PolarHBondContact O-N 3.11Å; D1660-K1686 WeakPolarHBondContact OD2-CE 3.43Å; D1660-K1686 IonicContact OD2-NZ 3.42Å; D1660-K1686 PolarHBondContact OD2-NZ 2.81Å | ||
| 1661 | C | 47.6 | Very low | 57.1 | Low | 46 Ų | 46 | 63 Ų | 63 | 31% | 0.311 | 34% | 0.342 | S | S | . | . | trans | -72.6 | 68.2 | -179.6 | -69.4 | 0 | 0 | 0 | 0 | 113.1 | C1652 K1659 | C1652-C1661 WeakPolarHBondContact CB-O 3.29Å; K1659-C1661 VanDerWaalsContact C-N 3.32Å; K1659-C1661 PolarHBondContact O-N 3.09Å; K1659-C1661 PolarHBondContact O-SG 2.97Å | ||
| 1662 | K | 65.2 | Low | 57.9 | Low | 62 Ų | 62 | 58.4 Ų | 58.4 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | trans | -69.7 | 141.1 | 171.1 | -57.3 | -164.7 | -179.5 | -170 | 0 | 110.8 | M1648 E1650 D1660 A1683 | M1648-K1662 HydrophobicContact CE-CB 4.22Å; M1648-K1662 HydrophobicContact CE-CD 3.71Å; M1648-K1662 HydrophobicContact CG-CB 3.94Å; M1648-K1662 HydrophobicContact SD-CB 3.54Å; M1648-K1662 VanDerWaalsContact SD-CB 3.54Å; M1648-K1662 HydrophobicContact SD-CD 4.2Å; E1650-K1662 VanDerWaalsContact OE1-CE 3.3Å; E1650-K1662 WeakPolarHBondContact OE1-CE 3.4Å; E1650-K1662 IonicContact OE1-NZ 3.72Å; E1650-K1662 PolarHBondContact OE1-NZ 3.13Å; D1660-K1662 VanDerWaalsContact C-N 3.26Å; D1660-K1662 PolarHBondContact O-N 3.11Å; K1662-A1683 WeakPolarHBondContact O-CB 3.29Å; K1662-A1683 PolarHBondContact O-N 2.99Å | ||
| 1663 | L | 72.6 | Confident | 59.1 | Low | 18 Ų | 18 | 56.2 Ų | 56.2 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 109.2 | -177.7 | 176.5 | 101.2 | 0 | 0 | 0 | 110.5 | M1648 H1649 I1665 Y1679 P1800 | M1648-L1663 WeakPolarHBondContact CA-O 3.11Å; M1648-L1663 WeakPolarHBondContact CG-O 3.2Å; H1649-L1663 HydrophobicContact CB-CB 4.18Å; H1649-L1663 HydrophobicContact CB-CD2 4.15Å; H1649-L1663 PolarHBondContact N-O 2.99Å; H1649-L1663 PolarHBondContact O-N 2.89Å; H1649-L1663 VanDerWaalsContact O-N 3.14Å; L1663-I1665 HydrophobicContact CD2-CD1 4.22Å; L1663-I1665 HydrophobicContact CD2-CG1 4.07Å; L1663-Y1679 HydrophobicContact CD2-CD1 4.25Å; L1663-P1800 HydrophobicContact CD1-CG 3.82Å; L1663-P1800 HydrophobicContact CD2-CG 3.45Å; L1663-P1800 VanDerWaalsContact CD2-CG 3.45Å; L1663-P1800 HydrophobicContact CG-CG 4.29Å |
| 1664 | L | 77.2 | Confident | 61.4 | Low | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123.6 | 179.4 | 179.9 | 65.9 | 0 | 0 | 0 | 110.3 | W1573 W1578 V1590 M1648 L1680 A1683 | W1573-L1664 HydrophobicContact CB-CD1 4.49Å; W1578-L1664 HydrophobicContact CB-CD2 4.12Å; W1578-L1664 HydrophobicContact CD2-CD2 3.97Å; W1578-L1664 HydrophobicContact CE3-CD2 4.1Å; W1578-L1664 HydrophobicContact CG-CD2 3.99Å; V1590-L1664 HydrophobicContact CG1-CD2 4.01Å; M1648-L1664 HydrophobicContact CB-CD1 4.25Å; M1648-L1664 HydrophobicContact SD-CB 4.1Å; M1648-L1664 HydrophobicContact SD-CD1 4.46Å; L1664-L1680 HydrophobicContact CB-CB 4.22Å; L1664-L1680 HydrophobicContact CD2-CD1 4.08Å; L1664-L1680 HydrophobicContact CG-CD1 4.34Å; L1664-L1680 PolarHBondContact N-O 3.03Å; L1664-L1680 WeakPolarHBondContact O-CA 3.4Å; L1664-L1680 VanDerWaalsContact O-CB 3.3Å; L1664-L1680 WeakPolarHBondContact O-CB 3.34Å; L1664-L1680 PolarHBondContact O-N 3.31Å; L1664-A1683 HydrophobicContact CB-CB 3.85Å |
| 1665 | I | 81 | Confident | 63.5 | Low | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.4 | 178 | -44.5 | -173.3 | 0 | 0 | 0 | 108.5 | T1646 W1647 L1663 V1667 V1677 Y1679 L1781 L1799 | T1646-I1665 WeakPolarHBondContact CA-O 3.33Å; W1647-I1665 HydrophobicContact CE3-CD1 3.68Å; W1647-I1665 HydrophobicContact CE3-CG1 4.19Å; W1647-I1665 HydrophobicContact CZ3-CD1 3.94Å; W1647-I1665 PolarHBondContact N-O 3.14Å; W1647-I1665 WeakPolarHBondContact O-CA 3.43Å; W1647-I1665 PolarHBondContact O-N 3.17Å; L1663-I1665 HydrophobicContact CD2-CD1 4.22Å; L1663-I1665 HydrophobicContact CD2-CG1 4.07Å; I1665-V1667 HydrophobicContact CG2-CG2 4.44Å; I1665-V1677 HydrophobicContact CG2-CG1 3.76Å; I1665-Y1679 HydrophobicContact CD1-CD1 4.02Å; I1665-Y1679 HydrophobicContact CD1-CE1 3.95Å; I1665-Y1679 HydrophobicContact CG1-CD1 4Å; I1665-Y1679 HydrophobicContact CG1-CE1 4.38Å; I1665-Y1679 HydrophobicContact CG2-CD1 4.1Å; I1665-Y1679 HydrophobicContact CG2-CE1 4.12Å; I1665-L1781 HydrophobicContact CD1-CD2 4.22Å; I1665-L1799 HydrophobicContact CD1-CD2 3.54Å |
| 1666 | V | 82.9 | Confident | 65.9 | Low | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.4 | 175.1 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | A1580 V1590 L1609 L1644 T1646 V1677 W1678 L1680 | A1580-V1666 HydrophobicContact CB-CG1 4.16Å; V1590-V1666 HydrophobicContact CG2-CG2 4.44Å; L1609-V1666 HydrophobicContact CD1-CB 3.81Å; L1609-V1666 HydrophobicContact CD1-CG1 3.83Å; L1609-V1666 HydrophobicContact CD1-CG2 3.88Å; L1644-V1666 HydrophobicContact CD1-CG1 3.87Å; L1644-V1666 HydrophobicContact CG-CG1 4.34Å; T1646-V1666 HydrophobicContact CG2-CB 4.43Å; T1646-V1666 HydrophobicContact CG2-CG1 4.04Å; T1646-V1666 HydrophobicContact CG2-CG2 4.12Å; V1666-V1677 CarbonylContact O-C 3.58Å; V1666-V1677 WeakPolarHBondContact O-CA 3.24Å; V1666-W1678 HydrophobicContact CB-CB 4.46Å; V1666-W1678 HydrophobicContact CB-CE3 4.26Å; V1666-W1678 HydrophobicContact CG1-CE3 4.33Å; V1666-W1678 PolarHBondContact N-O 3.44Å; V1666-W1678 PolarHBondContact O-N 3.46Å; V1666-L1680 HydrophobicContact CG2-CD1 3.88Å |
| 1667 | V | 84.3 | Confident | 68.2 | Low | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.5 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | L1644 H1645 I1665 V1675 K1676 V1677 L1797 | L1644-V1667 WeakPolarHBondContact CA-O 3.47Å; H1645-V1667 HydrophobicContact CB-CB 4.35Å; H1645-V1667 PolarHBondContact N-O 3.17Å; H1645-V1667 PolarHBondContact O-N 3.37Å; I1665-V1667 HydrophobicContact CG2-CG2 4.44Å; V1667-V1675 HydrophobicContact CG1-CG1 3.71Å; V1667-K1676 CarbonylContact C-O 3.57Å; V1667-K1676 WeakPolarHBondContact CA-O 3.29Å; V1667-V1677 HydrophobicContact CG1-CG2 4.45Å; V1667-V1677 HydrophobicContact CG2-CG1 4.27Å; V1667-V1677 HydrophobicContact CG2-CG2 4.3Å; V1667-L1797 HydrophobicContact CG2-CD1 4.02Å |
| 1668 | G | 81.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1670 V1675 K1676 | G1668-Y1670 WeakPolarHBondContact O-CD2 3.48Å; G1668-V1675 WeakPolarHBondContact O-CA 3.33Å; G1668-K1676 PolarHBondContact N-O 3.49Å; G1668-K1676 PolarHBondContact O-N 3.16Å |
| 1669 | V | 80.7 | Confident | 73.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.3 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | L1642 H1643 V1675 V1743 W1783 | L1642-V1669 PolarHBondContact N-O 3.08Å; H1643-V1669 HydrophobicContact CB-CB 4.08Å; H1643-V1669 HydrophobicContact CB-CG2 4.27Å; H1643-V1669 PolarHBondContact N-O 3.43Å; H1643-V1669 PolarHBondContact O-N 3.16Å; V1669-V1675 HydrophobicContact CG1-CG2 4.26Å; V1669-V1675 HydrophobicContact CG2-CG1 4.23Å; V1669-V1675 HydrophobicContact CG2-CG2 4.27Å; V1669-V1743 HydrophobicContact CG1-CB 4.5Å; V1669-V1743 HydrophobicContact CG1-CG1 4.32Å; V1669-V1743 HydrophobicContact CG1-CG2 4.2Å; V1669-W1783 HydrophobicContact CG2-CZ2 4.2Å |
| 1670 | Y | 79 | Confident | 74.6 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 160.8 | -174.1 | -71.9 | -99 | 0 | 0 | 0 | 112.8 | G1586 D1639 H1640 I1641 G1668 S1672 G1673 C1674 K1676 W1678 | G1586-Y1670 WeakPolarHBondContact O-CE1 3.37Å; G1586-Y1670 PolarHBondContact O-OH 3.3Å; D1639-Y1670 HydrophobicContact CB-CD1 4.05Å; D1639-Y1670 WeakPolarHBondContact O-CD1 3.27Å; D1639-Y1670 WeakPolarHBondContact OD2-CB 3.25Å; H1640-Y1670 CarbonylContact O-C 3.55Å; H1640-Y1670 WeakPolarHBondContact O-CA 3.44Å; I1641-Y1670 HydrophobicContact CD1-CE1 4.32Å; I1641-Y1670 HydrophobicContact CG1-CD1 4Å; I1641-Y1670 HydrophobicContact CG1-CE1 3.67Å; I1641-Y1670 HydrophobicContact CG1-CE2 4.48Å; G1668-Y1670 WeakPolarHBondContact O-CD2 3.48Å; Y1670-S1672 VanDerWaalsContact C-N 3.29Å; Y1670-S1672 PolarHBondContact O-N 3.35Å; Y1670-G1673 WeakPolarHBondContact O-CA 3.5Å; Y1670-G1673 PolarHBondContact O-N 2.78Å; Y1670-C1674 WeakPolarHBondContact CB-O 3.5Å; Y1670-C1674 PolarHBondContact N-O 2.99Å; Y1670-K1676 HydrophobicContact CD2-CD 4.32Å; Y1670-K1676 HydrophobicContact CD2-CG 4.19Å; Y1670-K1676 HydrophobicContact CE2-CB 4.03Å; Y1670-K1676 HydrophobicContact CE2-CD 3.48Å; Y1670-K1676 VanDerWaalsContact CE2-CD 3.48Å; Y1670-K1676 HydrophobicContact CE2-CG 3.63Å; Y1670-K1676 PolarHBondContact OH-NZ 3.04Å; Y1670-W1678 HydrophobicContact CE2-CH2 4.22Å; Y1670-W1678 WeakPolarHBondContact OH-CH2 3.21Å |
| 1671 | G | 68.3 | Low | 75.5 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -41.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1639 H1640 G1673 | D1639-G1671 WeakPolarHBondContact OD1-CA 3.37Å; D1639-G1671 PolarHBondContact OD1-N 3.05Å; H1640-G1671 PolarHBondContact O-N 3.32Å; G1671-G1673 PolarHBondContact O-N 3.38Å; G1671-G1673 VanDerWaalsContact O-N 3.17Å |
| 1672 | S | 70.6 | Confident | 76 | Confident | 36 Ų | 36 | 20.4 Ų | 20.4 | 25% | 0.252 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.4 | 175.5 | 62.9 | 0 | 0 | 0 | 0 | 115.1 | D1639 Y1670 C1674 K1705 | D1639-S1672 PolarHBondContact OD1-N 2.77Å; D1639-S1672 VanDerWaalsContact OD1-N 3.14Å; D1639-S1672 WeakPolarHBondContact OD2-CB 3.39Å; D1639-S1672 PolarHBondContact OD2-N 3.31Å; D1639-S1672 PolarHBondContact OD2-OG 2.72Å; Y1670-S1672 VanDerWaalsContact C-N 3.29Å; Y1670-S1672 PolarHBondContact O-N 3.35Å; S1672-C1674 PolarHBondContact OG-N 2.94Å; S1672-C1674 PolarHBondContact OG-SG 3.43Å; S1672-K1705 WeakPolarHBondContact O-CD 3.21Å; S1672-K1705 WeakPolarHBondContact O-CE 3.36Å; S1672-K1705 VanDerWaalsContact O-CG 3.23Å; S1672-K1705 WeakPolarHBondContact O-CG 3.48Å |
| 1673 | G | 67.4 | Low | 75.5 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 84.7 | 7.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1670 G1671 | Y1670-G1673 WeakPolarHBondContact O-CA 3.5Å; Y1670-G1673 PolarHBondContact O-N 2.78Å; G1671-G1673 PolarHBondContact O-N 3.38Å; G1671-G1673 VanDerWaalsContact O-N 3.17Å |
| 1674 | C | 75.9 | Confident | 74.4 | Confident | 36 Ų | 36 | 18.1 Ų | 18.1 | 24% | 0.243 | 11% | 0.107 | C | C | . | . | trans | -75.8 | 152.4 | 166.4 | -60 | 0 | 0 | 0 | 0 | 110.8 | Y1670 S1672 | Y1670-C1674 WeakPolarHBondContact CB-O 3.5Å; Y1670-C1674 PolarHBondContact N-O 2.99Å; S1672-C1674 PolarHBondContact OG-N 2.94Å; S1672-C1674 PolarHBondContact OG-SG 3.43Å | ||
| 1675 | V | 76.9 | Confident | 73.2 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.1 | -176.2 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | V1667 G1668 V1669 C1702 F1703 W1783 | V1667-V1675 HydrophobicContact CG1-CG1 3.71Å; G1668-V1675 WeakPolarHBondContact O-CA 3.33Å; V1669-V1675 HydrophobicContact CG1-CG2 4.26Å; V1669-V1675 HydrophobicContact CG2-CG1 4.23Å; V1669-V1675 HydrophobicContact CG2-CG2 4.27Å; V1675-C1702 CarbonylContact O-C 3.58Å; V1675-C1702 WeakPolarHBondContact O-CA 3.48Å; V1675-F1703 HydrophobicContact CB-CB 4.25Å; V1675-F1703 HydrophobicContact CB-CD2 4.15Å; V1675-F1703 HydrophobicContact CG1-CD2 4.26Å; V1675-F1703 PolarHBondContact N-O 3.21Å; V1675-F1703 PolarHBondContact O-N 3.41Å; V1675-W1783 HydrophobicContact CB-CZ2 4.31Å; V1675-W1783 HydrophobicContact CG1-CZ2 4.06Å; V1675-W1783 HydrophobicContact CG2-CH2 3.63Å; V1675-W1783 HydrophobicContact CG2-CZ2 3.44Å; V1675-W1783 VanDerWaalsContact CG2-CZ2 3.44Å |
| 1676 | K | 82.1 | Confident | 71.6 | Confident | 37 Ų | 37 | 28.8 Ų | 28.8 | 16% | 0.161 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139 | -178.9 | -53.1 | -177.4 | -163.4 | 157.8 | 0 | 110.5 | A1611 V1667 G1668 Y1670 W1678 P1699 E1701 | A1611-K1676 PolarHBondContact O-NZ 2.91Å; V1667-K1676 CarbonylContact C-O 3.57Å; V1667-K1676 WeakPolarHBondContact CA-O 3.29Å; G1668-K1676 PolarHBondContact N-O 3.49Å; G1668-K1676 PolarHBondContact O-N 3.16Å; Y1670-K1676 HydrophobicContact CD2-CD 4.32Å; Y1670-K1676 HydrophobicContact CD2-CG 4.19Å; Y1670-K1676 HydrophobicContact CE2-CB 4.03Å; Y1670-K1676 HydrophobicContact CE2-CD 3.48Å; Y1670-K1676 VanDerWaalsContact CE2-CD 3.48Å; Y1670-K1676 HydrophobicContact CE2-CG 3.63Å; Y1670-K1676 PolarHBondContact OH-NZ 3.04Å; K1676-W1678 HydrophobicContact CB-CH2 3.85Å; K1676-W1678 HydrophobicContact CB-CZ2 4.14Å; K1676-W1678 HydrophobicContact CB-CZ3 4.11Å; K1676-W1678 HydrophobicContact CD-CZ2 4.42Å; K1676-P1699 HydrophobicContact CB-CB 3.91Å; K1676-P1699 HydrophobicContact CD-CB 4.23Å; K1676-P1699 HydrophobicContact CD-CG 4.19Å; K1676-P1699 HydrophobicContact CG-CB 4.43Å; K1676-E1701 WeakPolarHBondContact CA-O 3.36Å |
| 1677 | V | 83.7 | Confident | 69.6 | Low | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.6 | 178.5 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | I1665 V1666 V1667 Y1679 T1700 E1701 F1703 L1797 | I1665-V1677 HydrophobicContact CG2-CG1 3.76Å; V1666-V1677 CarbonylContact O-C 3.58Å; V1666-V1677 WeakPolarHBondContact O-CA 3.24Å; V1667-V1677 HydrophobicContact CG1-CG2 4.45Å; V1667-V1677 HydrophobicContact CG2-CG1 4.27Å; V1667-V1677 HydrophobicContact CG2-CG2 4.3Å; V1677-Y1679 HydrophobicContact CG1-CD2 4.35Å; V1677-Y1679 HydrophobicContact CG1-CE1 4.33Å; V1677-Y1679 HydrophobicContact CG1-CE2 3.83Å; V1677-T1700 PolarHBondContact O-N 3.22Å; V1677-T1700 PolarHBondContact O-OG1 3Å; V1677-E1701 HydrophobicContact CB-CB 4Å; V1677-E1701 HydrophobicContact CG2-CB 4.04Å; V1677-E1701 PolarHBondContact N-O 3.39Å; V1677-E1701 PolarHBondContact O-N 2.88Å; V1677-F1703 HydrophobicContact CG2-CE2 4.04Å; V1677-L1797 HydrophobicContact CG2-CD2 3.95Å |
| 1678 | W | 85.5 | Confident | 67.4 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.8 | 170.4 | -60.1 | -98.2 | 0 | 0 | 0 | 108.9 | V1588 L1609 V1666 Y1670 K1676 P1699 | V1588-W1678 HydrophobicContact CG2-CH2 4.25Å; V1588-W1678 HydrophobicContact CG2-CZ3 4.39Å; L1609-W1678 HydrophobicContact CB-CD2 3.95Å; L1609-W1678 HydrophobicContact CB-CG 4.07Å; L1609-W1678 HydrophobicContact CB-CZ2 4.15Å; L1609-W1678 HydrophobicContact CD1-CB 4.05Å; L1609-W1678 HydrophobicContact CD1-CD2 3.82Å; L1609-W1678 HydrophobicContact CD1-CE3 3.97Å; L1609-W1678 HydrophobicContact CD1-CG 3.87Å; L1609-W1678 HydrophobicContact CD2-CG 4.43Å; L1609-W1678 HydrophobicContact CG-CD2 4.45Å; L1609-W1678 HydrophobicContact CG-CG 4.35Å; V1666-W1678 HydrophobicContact CB-CB 4.46Å; V1666-W1678 HydrophobicContact CB-CE3 4.26Å; V1666-W1678 HydrophobicContact CG1-CE3 4.33Å; V1666-W1678 PolarHBondContact N-O 3.44Å; V1666-W1678 PolarHBondContact O-N 3.46Å; Y1670-W1678 HydrophobicContact CE2-CH2 4.22Å; Y1670-W1678 WeakPolarHBondContact OH-CH2 3.21Å; K1676-W1678 HydrophobicContact CB-CH2 3.85Å; K1676-W1678 HydrophobicContact CB-CZ2 4.14Å; K1676-W1678 HydrophobicContact CB-CZ3 4.11Å; K1676-W1678 HydrophobicContact CD-CZ2 4.42Å; W1678-P1699 VanDerWaalsContact CD1-CA 3.43Å; W1678-P1699 HydrophobicContact CD2-CB 4.48Å; W1678-P1699 HydrophobicContact CZ2-CB 4.3Å; W1678-P1699 VanDerWaalsContact NE1-N 3.18Å |
| 1679 | Y | 81.9 | Confident | 65.5 | Low | 39 Ų | 39 | 43.2 Ų | 43.2 | 15% | 0.153 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.7 | 167.7 | -54.7 | -91.1 | 0 | 0 | 0 | 109.3 | L1663 I1665 V1677 T1700 E1701 F1798 P1800 | L1663-Y1679 HydrophobicContact CD2-CD1 4.25Å; I1665-Y1679 HydrophobicContact CD1-CD1 4.02Å; I1665-Y1679 HydrophobicContact CD1-CE1 3.95Å; I1665-Y1679 HydrophobicContact CG1-CD1 4Å; I1665-Y1679 HydrophobicContact CG1-CE1 4.38Å; I1665-Y1679 HydrophobicContact CG2-CD1 4.1Å; I1665-Y1679 HydrophobicContact CG2-CE1 4.12Å; V1677-Y1679 HydrophobicContact CG1-CD2 4.35Å; V1677-Y1679 HydrophobicContact CG1-CE1 4.33Å; V1677-Y1679 HydrophobicContact CG1-CE2 3.83Å; Y1679-T1700 HydrophobicContact CD2-CG2 4.03Å; Y1679-T1700 PolarHBondContact N-OG1 3.17Å; Y1679-E1701 HydrophobicContact CE2-CG 4.19Å; Y1679-F1798 WeakPolarHBondContact CE1-O 3.47Å; Y1679-F1798 PolarHBondContact OH-O 2.79Å; Y1679-P1800 HydrophobicContact CD1-CG 4.17Å |
| 1680 | L | 76.4 | Confident | 63.9 | Low | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 102 | 179.9 | -57.4 | 171.2 | 0 | 0 | 0 | 108.8 | V1590 Y1607 L1609 L1664 V1666 V1697 | V1590-L1680 HydrophobicContact CG2-CD1 4.19Å; Y1607-L1680 HydrophobicContact CD1-CD2 3.89Å; Y1607-L1680 HydrophobicContact CD2-CD1 3.93Å; Y1607-L1680 HydrophobicContact CE1-CD2 4.24Å; Y1607-L1680 HydrophobicContact CE2-CD1 4.3Å; Y1607-L1680 HydrophobicContact CG-CD1 4.15Å; Y1607-L1680 HydrophobicContact CG-CD2 4.05Å; L1609-L1680 HydrophobicContact CD2-CD1 4.21Å; L1609-L1680 HydrophobicContact CD2-CD2 3.84Å; L1664-L1680 HydrophobicContact CB-CB 4.22Å; L1664-L1680 HydrophobicContact CD2-CD1 4.08Å; L1664-L1680 HydrophobicContact CG-CD1 4.34Å; L1664-L1680 PolarHBondContact N-O 3.03Å; L1664-L1680 WeakPolarHBondContact O-CA 3.4Å; L1664-L1680 VanDerWaalsContact O-CB 3.3Å; L1664-L1680 WeakPolarHBondContact O-CB 3.34Å; L1664-L1680 PolarHBondContact O-N 3.31Å; V1666-L1680 HydrophobicContact CG2-CD1 3.88Å; L1680-V1697 HydrophobicContact CD2-CB 4.17Å; L1680-V1697 HydrophobicContact CD2-CG1 3.94Å; L1680-V1697 HydrophobicContact CD2-CG2 3.84Å |
| 1681 | S | 64.9 | Low | 62.4 | Low | 74 Ų | 74 | 52 Ų | 52 | 52% | 0.517 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -71.3 | 163.1 | 167 | 57 | 0 | 0 | 0 | 0 | 111.2 | Y1607 A1683 | Y1607-S1681 PolarHBondContact OH-O 2.72Å; S1681-A1683 VanDerWaalsContact C-N 3.26Å; S1681-A1683 PolarHBondContact O-N 3.32Å |
| 1682 | D | 57.8 | Low | 61.8 | Low | 107 Ų | 107 | 56.6 Ų | 56.6 | 57% | 0.572 | 31% | 0.31 | S | S | * | . | trans | 56.8 | 33.9 | 177.6 | -52.7 | -31 | 0 | 0 | 0 | 114.5 | Y1607 C1684 | Y1607-D1682 PolarHBondContact OH-O 2.6Å; D1682-C1684 PolarHBondContact O-N 2.67Å | ||
| 1683 | A | 54.6 | Low | 61 | Low | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | trans | -74.2 | 49.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1578 M1648 K1662 L1664 S1681 | W1578-A1683 HydrophobicContact CH2-CB 4.42Å; W1578-A1683 HydrophobicContact CZ2-CB 3.91Å; W1578-A1683 WeakPolarHBondContact CZ2-O 3.33Å; M1648-A1683 HydrophobicContact SD-CB 4.34Å; K1662-A1683 WeakPolarHBondContact O-CB 3.29Å; K1662-A1683 PolarHBondContact O-N 2.99Å; L1664-A1683 HydrophobicContact CB-CB 3.85Å; S1681-A1683 VanDerWaalsContact C-N 3.26Å; S1681-A1683 PolarHBondContact O-N 3.32Å | ||
| 1684 | C | 49.8 | Very low | 60.9 | Low | 29 Ų | 29 | 61.9 Ų | 61.9 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -82.4 | 122.2 | -175.4 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | R1606 D1682 | R1606-C1684 PolarHBondContact NH1-O 2.96Å; D1682-C1684 PolarHBondContact O-N 2.67Å | ||
| 1685 | Y | 51.7 | Low | 60.9 | Low | 130 Ų | 130 | 63.4 Ų | 63.4 | 51% | 0.51 | 35% | 0.352 | S | S | . | . | trans | -76.3 | -21.3 | -171.9 | 90.6 | -78.2 | 0 | 0 | 0 | 114.4 | H1594 | H1594-Y1685 PolarHBondContact CE1-O 2.73Å; H1594-Y1685 VanDerWaalsContact CE1-O 3.31Å | ||
| 1686 | K | 47.6 | Very low | 60.9 | Low | 98 Ų | 98 | 67.7 Ų | 67.7 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -60.7 | 156.8 | -173.6 | -72.5 | 174.7 | 172.7 | 168.1 | 0 | 112.3 | D1660 S1688 | D1660-K1686 WeakPolarHBondContact OD2-CE 3.43Å; D1660-K1686 IonicContact OD2-NZ 3.42Å; D1660-K1686 PolarHBondContact OD2-NZ 2.81Å; K1686-S1688 PolarHBondContact O-N 2.79Å |
| 1687 | I | 41 | Very low | 60.8 | Low | 124 Ų | 124 | 67.3 Ų | 67.3 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | trans | -76.8 | 42.1 | -168.3 | -41.2 | 177.5 | 0 | 0 | 0 | 112.3 | N1689 | I1687-N1689 PolarHBondContact O-N 3.35Š| ||
| 1688 | S | 37.7 | Very low | 60.5 | Low | 69 Ų | 69 | 72.1 Ų | 72.1 | 48% | 0.483 | 39% | 0.394 | S | S | . | . | trans | -82.4 | 98.1 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | K1686 | K1686-S1688 PolarHBondContact O-N 2.79Š| ||
| 1689 | N | 42.5 | Very low | 60 | Low | 114 Ų | 114 | 73.8 Ų | 73.8 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | trans | 60 | 108.6 | 169.2 | -90.3 | -9.4 | 0 | 0 | 0 | 117.2 | I1687 T1691 I1692 | I1687-N1689 PolarHBondContact O-N 3.35Å; N1689-T1691 WeakPolarHBondContact CB-OG1 3.47Å; N1689-T1691 PolarHBondContact O-N 3.4Å; N1689-I1692 HydrophobicContact CB-CG1 4.44Å | ||
| 1690 | P | 47 | Very low | 59.8 | Low | 78 Ų | 78 | 76.1 Ų | 76.1 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 9.6 | 168.7 | 33.8 | -36.8 | 0 | 0 | 0 | 113.5 | Y1504 | Y1504-P1690 HydrophobicContact CD1-CB 3.9Å; Y1504-P1690 HydrophobicContact CD2-CB 3.87Å; Y1504-P1690 HydrophobicContact CE1-CB 3.84Å; Y1504-P1690 HydrophobicContact CE1-CG 4.37Å; Y1504-P1690 HydrophobicContact CE2-CB 3.88Å; Y1504-P1690 HydrophobicContact CG-CB 3.9Å |
| 1691 | T | 47.1 | Very low | 59.8 | Low | 106 Ų | 106 | 78 Ų | 78 | 65% | 0.65 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.1 | 179.1 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | N1689 P1693 | N1689-T1691 WeakPolarHBondContact CB-OG1 3.47Å; N1689-T1691 PolarHBondContact O-N 3.4Å; T1691-P1693 WeakPolarHBondContact O-CD 3.17Å |
| 1692 | I | 55.3 | Low | 60.2 | Low | 101 Ų | 101 | 78.3 Ų | 78.3 | 52% | 0.518 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 118.5 | 177 | -57.8 | 174.5 | 0 | 0 | 0 | 108.7 | N1689 | N1689-I1692 HydrophobicContact CB-CG1 4.44Š|
| 1693 | P | 54.9 | Low | 60.9 | Low | 103 Ų | 103 | 74.6 Ų | 74.6 | 67% | 0.669 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 156.1 | 179.2 | 31.1 | -35.5 | 0 | 0 | 0 | 111.3 | T1691 V1695 | T1691-P1693 WeakPolarHBondContact O-CD 3.17Å; P1693-V1695 PolarHBondContact O-N 2.66Å |
| 1694 | C | 65 | Low | 61.6 | Low | 45 Ų | 45 | 78.7 Ų | 78.7 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 123.5 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | R1605 R1606 Y1607 | R1605-C1694 HydrophobicContact CG-CB 4.08Å; R1606-C1694 CarbonylContact O-C 3.58Å; R1606-C1694 VanDerWaalsContact O-CA 3.29Å; R1606-C1694 WeakPolarHBondContact O-CA 3.44Å; Y1607-C1694 VanDerWaalsContact C-SG 3.58Å |
| 1695 | V | 75.6 | Confident | 62.4 | Low | 69 Ų | 69 | 81.4 Ų | 81.4 | 42% | 0.418 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.5 | -175.9 | -177 | 0 | 0 | 0 | 0 | 110 | R1606 Y1607 H1608 P1693 V1697 | R1606-V1695 PolarHBondContact O-N 2.91Å; Y1607-V1695 CarbonylContact C-O 3.56Å; Y1607-V1695 WeakPolarHBondContact CA-O 3.48Å; Y1607-V1695 HydrophobicContact CD1-CB 4.11Å; H1608-V1695 PolarHBondContact N-O 3.08Å; P1693-V1695 PolarHBondContact O-N 2.66Å; V1695-V1697 HydrophobicContact CG1-CG2 4.02Å |
| 1696 | N | 77.5 | Confident | 63.2 | Low | 92 Ų | 92 | 76.6 Ų | 76.6 | 49% | 0.492 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 129.8 | 168.3 | -72.1 | -33.4 | 0 | 0 | 0 | 109.5 | H1608 L1610 | H1608-N1696 PolarHBondContact ND1-OD1 3.38Å; H1608-N1696 CarbonylContact O-C 3.6Å; H1608-N1696 VanDerWaalsContact O-CA 3.3Å; H1608-N1696 WeakPolarHBondContact O-CA 3.37Å; L1610-N1696 HydrophobicContact CD1-CB 3.92Å |
| 1697 | V | 78.6 | Confident | 64.3 | Low | 28 Ų | 28 | 72.1 Ų | 72.1 | 17% | 0.17 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.3 | -178.9 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | Y1607 H1608 L1609 L1610 L1680 V1695 | Y1607-V1697 HydrophobicContact CD1-CG2 3.99Å; H1608-V1697 PolarHBondContact O-N 3.21Å; L1609-V1697 CarbonylContact C-O 3.58Å; L1609-V1697 VanDerWaalsContact CA-O 3.32Å; L1609-V1697 WeakPolarHBondContact CA-O 3.38Å; L1609-V1697 HydrophobicContact CD2-CB 3.92Å; L1609-V1697 HydrophobicContact CD2-CG2 4.36Å; L1610-V1697 PolarHBondContact N-O 2.91Å; L1680-V1697 HydrophobicContact CD2-CB 4.17Å; L1680-V1697 HydrophobicContact CD2-CG1 3.94Å; L1680-V1697 HydrophobicContact CD2-CG2 3.84Å; V1695-V1697 HydrophobicContact CG1-CG2 4.02Å |
| 1698 | Y | 78.6 | Confident | 65.3 | Low | 101 Ų | 101 | 69.3 Ų | 69.3 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | trans | -104 | 153 | -179.9 | -64.4 | -72.6 | 0 | 0 | 0 | 111.2 | L1610 D1613 | L1610-Y1698 HydrophobicContact CB-CD1 3.85Å; L1610-Y1698 HydrophobicContact CB-CE1 3.71Å; L1610-Y1698 HydrophobicContact CD1-CD1 4.25Å; L1610-Y1698 HydrophobicContact CD1-CE1 3.41Å; L1610-Y1698 VanDerWaalsContact CD1-CE1 3.41Å; L1610-Y1698 HydrophobicContact CG-CE1 4.2Å; D1613-Y1698 VanDerWaalsContact OD1-CD1 3.26Å; D1613-Y1698 WeakPolarHBondContact OD1-CD1 3.31Å; D1613-Y1698 VanDerWaalsContact OD1-CE1 3.31Å; D1613-Y1698 WeakPolarHBondContact OD1-CE1 3.23Å | ||
| 1699 | P | 74.3 | Confident | 66.1 | Low | 35 Ų | 35 | 69 Ų | 69 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | trans | -65.4 | 136.9 | -175.2 | 27.9 | -36.4 | 0 | 0 | 0 | 111.4 | K1676 W1678 | K1676-P1699 HydrophobicContact CB-CB 3.91Å; K1676-P1699 HydrophobicContact CD-CB 4.23Å; K1676-P1699 HydrophobicContact CD-CG 4.19Å; K1676-P1699 HydrophobicContact CG-CB 4.43Å; W1678-P1699 VanDerWaalsContact CD1-CA 3.43Å; W1678-P1699 HydrophobicContact CD2-CB 4.48Å; W1678-P1699 HydrophobicContact CZ2-CB 4.3Å; W1678-P1699 VanDerWaalsContact NE1-N 3.18Å | ||
| 1700 | T | 77.9 | Confident | 66.5 | Low | 89 Ų | 89 | 67.4 Ų | 67.4 | 55% | 0.546 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -95.7 | -37.2 | -173.2 | -16.6 | 0 | 0 | 0 | 0 | 112 | V1677 Y1679 | V1677-T1700 PolarHBondContact O-N 3.22Å; V1677-T1700 PolarHBondContact O-OG1 3Å; Y1679-T1700 HydrophobicContact CD2-CG2 4.03Å; Y1679-T1700 PolarHBondContact N-OG1 3.17Å |
| 1701 | E | 76.8 | Confident | 66.2 | Low | 45 Ų | 45 | 71.8 Ų | 71.8 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.4 | 163.4 | -59.6 | -176.9 | 156 | 0 | 0 | 109.5 | K1676 V1677 Y1679 F1703 | K1676-E1701 WeakPolarHBondContact CA-O 3.36Å; V1677-E1701 HydrophobicContact CB-CB 4Å; V1677-E1701 HydrophobicContact CG2-CB 4.04Å; V1677-E1701 PolarHBondContact N-O 3.39Å; V1677-E1701 PolarHBondContact O-N 2.88Å; Y1679-E1701 HydrophobicContact CE2-CG 4.19Å; E1701-F1703 HydrophobicContact CB-CE2 4.49Å; E1701-F1703 HydrophobicContact CB-CZ 4.24Å; E1701-F1703 VanDerWaalsContact OE2-CZ 3.27Å; E1701-F1703 WeakPolarHBondContact OE2-CZ 3.47Å |
| 1702 | C | 72.4 | Confident | 65.7 | Low | 79 Ų | 79 | 70.8 Ų | 70.8 | 53% | 0.534 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 112.4 | 175.5 | -77.1 | 0 | 0 | 0 | 0 | 108.9 | V1675 | V1675-C1702 CarbonylContact O-C 3.58Å; V1675-C1702 WeakPolarHBondContact O-CA 3.48Å |
| 1703 | F | 72.5 | Confident | 64.6 | Low | 29 Ų | 29 | 73 Ų | 73 | 13% | 0.127 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.2 | 173.6 | -53.5 | -62 | 0 | 0 | 0 | 110.2 | V1675 V1677 E1701 R1795 L1797 | V1675-F1703 HydrophobicContact CB-CB 4.25Å; V1675-F1703 HydrophobicContact CB-CD2 4.15Å; V1675-F1703 HydrophobicContact CG1-CD2 4.26Å; V1675-F1703 PolarHBondContact N-O 3.21Å; V1675-F1703 PolarHBondContact O-N 3.41Å; V1677-F1703 HydrophobicContact CG2-CE2 4.04Å; E1701-F1703 HydrophobicContact CB-CE2 4.49Å; E1701-F1703 HydrophobicContact CB-CZ 4.24Å; E1701-F1703 VanDerWaalsContact OE2-CZ 3.27Å; E1701-F1703 WeakPolarHBondContact OE2-CZ 3.47Å; F1703-R1795 VanDerWaalsContact CD1-NH1 3.34Å; F1703-L1797 HydrophobicContact CE2-CD2 4.09Å; F1703-L1797 HydrophobicContact CZ-CD2 4.44Å |
| 1704 | P | 69.3 | Low | 63.3 | Low | 89 Ų | 89 | 76.6 Ų | 76.6 | 58% | 0.578 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 171.4 | 178.5 | 31.8 | -36.6 | 0 | 0 | 0 | 111.5 | L1706 | P1704-L1706 VanDerWaalsContact O-CD2 3.22Å; P1704-L1706 WeakPolarHBondContact O-CD2 3.47Å; P1704-L1706 WeakPolarHBondContact O-CG 3.48Å; P1704-L1706 PolarHBondContact O-N 3.18Å |
| 1705 | K | 66.9 | Low | 61.4 | Low | 85 Ų | 85 | 77.8 Ų | 77.8 | 37% | 0.37 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 118.4 | 172.6 | 176 | 169.5 | -172.6 | 164.5 | 0 | 111.3 | S1672 H1707 D1709 | S1672-K1705 WeakPolarHBondContact O-CD 3.21Å; S1672-K1705 WeakPolarHBondContact O-CE 3.36Å; S1672-K1705 VanDerWaalsContact O-CG 3.23Å; S1672-K1705 WeakPolarHBondContact O-CG 3.48Å; K1705-H1707 WeakPolarHBondContact CE-O 3.48Å; K1705-H1707 WeakPolarHBondContact CG-O 3.37Å; K1705-D1709 IonicContact NZ-OD1 3.44Å; K1705-D1709 IonicContact NZ-OD2 3.39Å; K1705-D1709 PolarHBondContact NZ-OD2 2.85Å |
| 1706 | L | 68 | Low | 59 | Low | 29 Ų | 29 | 79.8 Ų | 79.8 | 15% | 0.152 | 46% | 0.459 | C | S | . | . | trans | -92.1 | -39.4 | -177.2 | -55.1 | -172.7 | 0 | 0 | 0 | 113.5 | P1704 W1783 F1793 W1821 | P1704-L1706 VanDerWaalsContact O-CD2 3.22Å; P1704-L1706 WeakPolarHBondContact O-CD2 3.47Å; P1704-L1706 WeakPolarHBondContact O-CG 3.48Å; P1704-L1706 PolarHBondContact O-N 3.18Å; L1706-W1783 HydrophobicContact CD1-CH2 3.65Å; L1706-W1783 HydrophobicContact CD1-CZ3 3.68Å; L1706-F1793 HydrophobicContact CB-CD2 3.9Å; L1706-F1793 HydrophobicContact CB-CE2 4.14Å; L1706-F1793 HydrophobicContact CD1-CB 4.35Å; L1706-F1793 HydrophobicContact CD1-CD2 4.42Å; L1706-F1793 WeakPolarHBondContact O-CE2 3.18Å; L1706-W1821 HydrophobicContact CD1-CH2 3.41Å; L1706-W1821 VanDerWaalsContact CD1-CH2 3.41Å; L1706-W1821 HydrophobicContact CD1-CZ2 3.97Å; L1706-W1821 HydrophobicContact CD1-CZ3 3.92Å; L1706-W1821 HydrophobicContact CD2-CH2 3.53Å; L1706-W1821 HydrophobicContact CD2-CZ2 3.28Å; L1706-W1821 HydrophobicContact CG-CH2 4.13Å; L1706-W1821 HydrophobicContact CG-CZ2 4.26Å | ||
| 1707 | H | 70.6 | Confident | 56.5 | Low | 4 Ų | 4 | 81.2 Ų | 81.2 | 2% | 0.019 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -98 | 152 | -175.4 | -64.2 | -77.4 | 0 | 0 | 0 | 111.8 | K1705 V1742 G1787 D1789 F1793 | K1705-H1707 WeakPolarHBondContact CE-O 3.48Å; K1705-H1707 WeakPolarHBondContact CG-O 3.37Å; H1707-V1742 HydrophobicContact CB-CB 4.48Å; H1707-V1742 HydrophobicContact CB-CG1 3.77Å; H1707-G1787 PolarHBondContact CE1-N 2.85Å; H1707-G1787 PolarHBondContact ND1-N 3.16Å; H1707-D1789 VanDerWaalsContact CA-OD2 3.23Å; H1707-D1789 WeakPolarHBondContact CA-OD2 3.47Å; H1707-D1789 IonicContact CE1-OD1 3.29Å; H1707-D1789 IonicContact CG-OD1 2.71Å; H1707-D1789 IonicContact ND1-OD1 3.42Å; H1707-D1789 PolarHBondContact ND1-OD1 3.43Å; H1707-D1789 IonicContact ND1-OD2 3.57Å; H1707-F1793 AromaticContact CE1-CD2 3.49Å; H1707-F1793 VanDerWaalsContact CE1-CD2 3.49Å; H1707-F1793 WeakPolarHBondContact CE1-CD2 3.27Å; H1707-F1793 AromaticContact CE1-CE2 3.8Å; H1707-F1793 AromaticContact ND1-CE2 3.95Å; H1707-F1793 AromaticContact NE2-CD2 3.76Å |
| 1708 | S | 63 | Low | 54 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | trans | -103.8 | 152.2 | -176.5 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | D1789 | S1708-D1789 PolarHBondContact N-OD2 2.84Å; S1708-D1789 WeakPolarHBondContact OG-CB 3.47Å; S1708-D1789 PolarHBondContact OG-OD2 3.23Å; S1708-D1789 VanDerWaalsContact OG-OD2 3.07Å | ||
| 1709 | D | 55.1 | Low | 51.5 | Low | 61 Ų | 61 | 87 Ų | 87 | 33% | 0.326 | 51% | 0.508 | S | S | . | . | trans | -87.1 | 112.4 | 179.4 | -66.8 | -64 | 0 | 0 | 0 | 111.3 | K1705 Q1711 S1712 | K1705-D1709 IonicContact NZ-OD1 3.44Å; K1705-D1709 IonicContact NZ-OD2 3.39Å; K1705-D1709 PolarHBondContact NZ-OD2 2.85Å; D1709-Q1711 PolarHBondContact O-N 2.95Å; D1709-Q1711 VanDerWaalsContact O-N 3.08Å; D1709-S1712 PolarHBondContact O-OG 2.81Å | ||
| 1710 | I | 50.5 | Low | 49.1 | Very low | 82 Ų | 82 | 92.2 Ų | 92.2 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -60.5 | -18.9 | -175.8 | -82.9 | -173.3 | 0 | 0 | 0 | 114.7 | S1712 R1788 P1830 T1832 | I1710-S1712 PolarHBondContact O-N 3.45Å; I1710-R1788 HydrophobicContact CD1-CB 4.49Å; I1710-R1788 WeakPolarHBondContact CD1-O 3.31Å; I1710-P1830 WeakPolarHBondContact CD1-O 3.4Å; I1710-T1832 HydrophobicContact CD1-CG2 4.44Å |
| 1711 | Q | 41 | Very low | 46.5 | Very low | 169 Ų | 169 | 96.4 Ų | 96.4 | 79% | 0.79 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -69.6 | 14.5 | 179.5 | -73.3 | -174.2 | -46.1 | 0 | 0 | 114.9 | D1709 N1740 | D1709-Q1711 PolarHBondContact O-N 2.95Å; D1709-Q1711 VanDerWaalsContact O-N 3.08Å; Q1711-N1740 PolarHBondContact OE1-ND2 3.16Å |
| 1712 | S | 35.5 | Very low | 44.2 | Very low | 86 Ų | 86 | 102.1 Ų | 102.1 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -112.7 | -4.3 | -174.1 | 56.1 | 0 | 0 | 0 | 0 | 115.8 | D1709 I1710 | D1709-S1712 PolarHBondContact O-OG 2.81Å; I1710-S1712 PolarHBondContact O-N 3.45Å |
| 1713 | L | 32.7 | Very low | 41.9 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 77% | 0.77 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -119.7 | -6.2 | -166.8 | -91.8 | 157.4 | 0 | 0 | 0 | 117.4 | ||
| 1714 | N | 27.4 | Very low | 39.7 | Very low | 179 Ų | 179 | 112 Ų | 112 | 96% | 0.957 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -112.2 | 63.4 | 170.8 | -80 | -10.8 | 0 | 0 | 0 | 110.7 | ||
| 1715 | G | 25.4 | Very low | 37.5 | Very low | 70 Ų | 70 | 115.3 Ų | 115.3 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | trans | -179 | 90.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1716 | S | 24.8 | Very low | 35.7 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -76.7 | 138.3 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1717 | V | 25.8 | Very low | 33.7 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | trans | 76.7 | 119.6 | 144.1 | 171.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1718 | N | 24.8 | Very low | 31.6 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | trans | 79.8 | 125.4 | 151.1 | -67.2 | 4.2 | 0 | 0 | 0 | 123.3 | ||||
| 1719 | D | 26 | Very low | 29.8 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | trans | 68.4 | 118.4 | 130.5 | -72.1 | -65.4 | 0 | 0 | 0 | 124.6 | ||||
| 1720 | Q | 25.6 | Very low | 28.5 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | 71.4 | 118.6 | 128.2 | -65.1 | 178.1 | 63.8 | 0 | 0 | 122.5 | |||||
| 1721 | K | 23.3 | Very low | 27.2 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | 39.2 | 124.3 | 130.6 | -57.9 | 170.9 | -178.2 | 166.3 | 0 | 119.5 | ||||
| 1722 | I | 28.2 | Very low | 26.4 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | -166.1 | 156.1 | 121.9 | -101.6 | 151.7 | 0 | 0 | 0 | 110.5 | |||||
| 1723 | K | 22.8 | Very low | 25.8 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -130.9 | 141.5 | 166.8 | -73.4 | -176.4 | 173.6 | -171.8 | 0 | 108.3 | ||||
| 1724 | S | 27.3 | Very low | 25.4 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -168 | 139.6 | 158.4 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1725 | D | 23.7 | Very low | 25.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -79.6 | 151.1 | -164.7 | -39.1 | -72.6 | 0 | 0 | 0 | 115.4 | ||||
| 1726 | V | 28.8 | Very low | 25.3 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | -139.9 | 158.4 | 155.5 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1727 | Q | 25.7 | Very low | 25.3 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -87.2 | 160 | -158.8 | -64.6 | 172.6 | -11.6 | 0 | 0 | 115.7 | ||||
| 1728 | P | 26.3 | Very low | 25.5 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -91.8 | 141.2 | 178.7 | 35.5 | -33.8 | 0 | 0 | 0 | 114.2 | ||||
| 1729 | G | 25.5 | Very low | 26.2 | Very low | 62 Ų | 62 | 145 Ų | 145 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -166.1 | 157.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1730 | H | 28 | Very low | 27.2 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | 56.6 | 92.4 | -175.1 | -62.1 | -90.6 | 0 | 0 | 0 | 115.2 | ||||
| 1731 | L | 21.9 | Very low | 28.7 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 100% | 0.995 | 77% | 0.765 | S | S | * | * | trans | -96 | 106 | 170.4 | -81.9 | 160.3 | 0 | 0 | 0 | 110.1 | ||||
| 1732 | S | 24.9 | Very low | 30.9 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | -139.9 | 90.7 | 172.2 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | S1734 | S1732-S1734 PolarHBondContact O-N 3.14Š| ||
| 1733 | D | 22.7 | Very low | 33 | Very low | 157 Ų | 157 | 122.4 Ų | 122.4 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | 24.4 | 77.3 | 161.9 | -63.4 | -17.2 | 0 | 0 | 0 | 118.6 | ||||
| 1734 | S | 24.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | -125.1 | 111.1 | 157 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | S1732 | S1732-S1734 PolarHBondContact O-N 3.14Š| ||
| 1735 | F | 25.8 | Very low | 37.5 | Very low | 189 Ų | 189 | 111.4 Ų | 111.4 | 83% | 0.829 | 63% | 0.631 | S | S | * | * | trans | -85 | 142.9 | 175.5 | -83.2 | -89.4 | 0 | 0 | 0 | 111 | ||||
| 1736 | P | 26.1 | Very low | 39.9 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | trans | -86.6 | 141.3 | -160.5 | 32.4 | -36.7 | 0 | 0 | 0 | 115.1 | N1738 | P1736-N1738 PolarHBondContact O-N 3Š| ||
| 1737 | N | 24.5 | Very low | 42.1 | Very low | 173 Ų | 173 | 98.6 Ų | 98.6 | 93% | 0.925 | 56% | 0.56 | S | S | * | * | trans | -63.6 | 111.3 | 168.4 | -71.5 | -35.3 | 0 | 0 | 0 | 111 | ||||
| 1738 | N | 28.8 | Very low | 44.3 | Very low | 147 Ų | 147 | 91.5 Ų | 91.5 | 79% | 0.786 | 53% | 0.53 | S | S | * | . | trans | -159.9 | 80.4 | -174 | -148.2 | -4.4 | 0 | 0 | 0 | 116.9 | P1736 | P1736-N1738 PolarHBondContact O-N 3Š| ||
| 1739 | S | 38.9 | Very low | 46.2 | Very low | 77 Ų | 77 | 89.4 Ų | 89.4 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | trans | -170.7 | 128.6 | 143.4 | 54 | 0 | 0 | 0 | 0 | 113 | ||||
| 1740 | N | 47.8 | Very low | 48.1 | Very low | 87 Ų | 87 | 89.4 Ų | 89.4 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | trans | -95.3 | 98.5 | 171.7 | -109.5 | -27 | 0 | 0 | 0 | 109.6 | Q1711 R1788 | Q1711-N1740 PolarHBondContact OE1-ND2 3.16Å; N1740-R1788 PolarHBondContact OD1-NH1 3.22Å | ||
| 1741 | S | 57.6 | Low | 49.7 | Very low | 36 Ų | 36 | 81.6 Ų | 81.6 | 25% | 0.252 | 45% | 0.454 | S | S | . | . | trans | -77.9 | 126.3 | 173.6 | 50 | 0 | 0 | 0 | 0 | 111.7 | R1788 | S1741-R1788 PolarHBondContact O-NE 3.32Å; S1741-R1788 PolarHBondContact O-NH2 3.1Å; S1741-R1788 PolarHBondContact OG-NH2 3.09Å | ||
| 1742 | V | 69.7 | Low | 51.1 | Low | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | trans | -95.4 | -36.8 | -172.8 | -154 | 0 | 0 | 0 | 0 | 112.7 | H1707 G1787 R1788 | H1707-V1742 HydrophobicContact CB-CB 4.48Å; H1707-V1742 HydrophobicContact CB-CG1 3.77Å; V1742-G1787 VanDerWaalsContact O-CA 3.28Å; V1742-G1787 WeakPolarHBondContact O-CA 3.25Å; V1742-R1788 PolarHBondContact O-N 3.33Å; V1742-R1788 VanDerWaalsContact O-N 3.08Å | ||
| 1743 | V | 71 | Confident | 52.4 | Low | 6 Ų | 6 | 79.7 Ų | 79.7 | 4% | 0.036 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 134.3 | 168.4 | 173.9 | 0 | 0 | 0 | 0 | 108.7 | V1669 W1745 T1785 | V1669-V1743 HydrophobicContact CG1-CB 4.5Å; V1669-V1743 HydrophobicContact CG1-CG1 4.32Å; V1669-V1743 HydrophobicContact CG1-CG2 4.2Å; V1743-W1745 WeakPolarHBondContact CG1-O 3.34Å; V1743-T1785 HydrophobicContact CG1-CG2 3.79Å; V1743-T1785 HydrophobicContact CG2-CG2 4.25Å |
| 1744 | T | 70.7 | Confident | 53.3 | Low | 48 Ų | 48 | 75.6 Ų | 75.6 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -29.4 | 176.2 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | S1786 G1787 R1788 I1833 | T1744-S1786 PolarHBondContact N-O 3.02Å; T1744-S1786 PolarHBondContact OG1-O 2.89Å; T1744-G1787 WeakPolarHBondContact OG1-CA 3.18Å; T1744-R1788 HydrophobicContact CG2-CG 3.96Å; T1744-I1833 VanDerWaalsContact CB-O 3.26Å; T1744-I1833 WeakPolarHBondContact CB-O 3.47Å; T1744-I1833 PolarHBondContact OG1-O 3.11Å |
| 1745 | W | 73.9 | Confident | 53.8 | Low | 36 Ų | 36 | 77.7 Ų | 77.7 | 14% | 0.136 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 147.9 | 176.1 | 175.1 | 101.3 | 0 | 0 | 0 | 111.2 | V1743 T1747 F1784 T1785 S1786 N1835 A1836 I1838 | V1743-W1745 WeakPolarHBondContact CG1-O 3.34Å; W1745-T1747 HydrophobicContact CH2-CG2 3.3Å; W1745-T1747 HydrophobicContact CZ2-CG2 3.75Å; W1745-T1747 HydrophobicContact CZ3-CG2 3.97Å; W1745-F1784 HydrophobicContact CH2-CB 4.43Å; W1745-F1784 HydrophobicContact CZ3-CB 3.87Å; W1745-T1785 WeakPolarHBondContact O-CA 3.19Å; W1745-S1786 PolarHBondContact N-O 3.11Å; W1745-S1786 PolarHBondContact O-N 3.46Å; W1745-N1835 PolarHBondContact NE1-OD1 3.12Å; W1745-A1836 HydrophobicContact CD2-CB 4.01Å; W1745-A1836 HydrophobicContact CE3-CB 4.04Å; W1745-A1836 HydrophobicContact CH2-CB 4.02Å; W1745-A1836 HydrophobicContact CZ2-CB 4.01Å; W1745-A1836 VanDerWaalsContact CZ2-O 3.25Å; W1745-A1836 WeakPolarHBondContact CZ2-O 3.26Å; W1745-A1836 HydrophobicContact CZ3-CB 4.05Å; W1745-A1836 PolarHBondContact NE1-O 3.17Å; W1745-I1838 HydrophobicContact CH2-CD1 4.48Å |
| 1746 | S | 75.5 | Confident | 54.3 | Low | 11 Ų | 11 | 70.5 Ų | 70.5 | 8% | 0.077 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 146.9 | 170.4 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | H1643 H1645 F1784 | H1643-S1746 WeakPolarHBondContact CB-OG 3.48Å; H1643-S1746 PolarHBondContact CD2-OG 2.87Å; H1645-S1746 PolarHBondContact NE2-OG 2.73Å; S1746-F1784 VanDerWaalsContact CA-O 3.28Å; S1746-F1784 WeakPolarHBondContact CA-O 3.42Å |
| 1747 | T | 74.1 | Confident | 54.6 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 17% | 0.172 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 155.8 | 170.9 | -158.9 | 0 | 0 | 0 | 0 | 111.6 | W1745 R1749 W1783 F1784 I1838 | W1745-T1747 HydrophobicContact CH2-CG2 3.3Å; W1745-T1747 HydrophobicContact CZ2-CG2 3.75Å; W1745-T1747 HydrophobicContact CZ3-CG2 3.97Å; T1747-R1749 HydrophobicContact CG2-CG 4.33Å; T1747-W1783 WeakPolarHBondContact O-CA 3.4Å; T1747-F1784 HydrophobicContact CG2-CB 4.31Å; T1747-F1784 HydrophobicContact CG2-CD2 4Å; T1747-F1784 PolarHBondContact N-O 3.27Å; T1747-F1784 PolarHBondContact O-N 3.22Å; T1747-I1838 HydrophobicContact CG2-CD1 3.97Å |
| 1748 | C | 73.1 | Confident | 55.4 | Low | 30 Ų | 30 | 66.2 Ų | 66.2 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 106.6 | 168.7 | -168.5 | 0 | 0 | 0 | 0 | 107.9 | H1645 V1782 | H1645-C1748 HydrophobicContact CB-CB 4.22Å; C1748-V1782 WeakPolarHBondContact CA-O 3.39Å |
| 1749 | R | 66 | Low | 55.7 | Low | 90 Ų | 90 | 64 Ų | 64 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144 | 179.8 | -77.8 | -123.1 | -166.3 | 160.8 | 12.3 | 110.7 | T1747 V1782 D1837 I1838 | T1747-R1749 HydrophobicContact CG2-CG 4.33Å; R1749-V1782 PolarHBondContact N-O 3.39Å; R1749-V1782 PolarHBondContact O-N 3.34Å; R1749-D1837 IonicContact NH2-OD1 2.93Å; R1749-D1837 PolarHBondContact NH2-OD1 2.96Å; R1749-I1838 PolarHBondContact NH1-O 2.89Å; R1749-I1838 PolarHBondContact NH2-O 3.47Å |
| 1750 | L | 65.1 | Low | 55.2 | Low | 62 Ų | 62 | 62.7 Ų | 62.7 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.5 | 166.5 | -170.4 | 71.1 | 0 | 0 | 0 | 107.9 | W1647 K1779 L1781 | W1647-L1750 HydrophobicContact CH2-CD1 4.46Å; W1647-L1750 HydrophobicContact CZ2-CD1 3.83Å; W1647-L1750 HydrophobicContact CZ2-CD2 4.07Å; L1750-K1779 HydrophobicContact CD1-CB 3.78Å; L1750-K1779 HydrophobicContact CD2-CB 3.97Å; L1750-K1779 HydrophobicContact CD2-CD 4Å; L1750-K1779 HydrophobicContact CG-CB 3.86Å; L1750-L1781 HydrophobicContact CB-CD1 4.4Å; L1750-L1781 HydrophobicContact CD1-CB 4.27Å; L1750-L1781 HydrophobicContact CD1-CD1 4.22Å |
| 1751 | I | 61.5 | Low | 54.3 | Low | 30 Ų | 30 | 64.8 Ų | 64.8 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.3 | 176.5 | -55.8 | -175.3 | 0 | 0 | 0 | 108.3 | M1780 V1782 F1784 | I1751-M1780 PolarHBondContact N-O 3.44Å; I1751-M1780 PolarHBondContact O-N 3.35Å; I1751-V1782 HydrophobicContact CD1-CB 4.19Å; I1751-V1782 HydrophobicContact CD1-CG2 3.79Å; I1751-V1782 HydrophobicContact CG1-CG2 4.05Å; I1751-F1784 HydrophobicContact CD1-CE2 4.32Å; I1751-F1784 HydrophobicContact CD1-CZ 4.19Å |
| 1752 | E | 52 | Low | 52.7 | Low | 83 Ų | 83 | 73.8 Ų | 73.8 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | trans | -76.8 | 138.6 | 172.3 | -59.2 | -165.4 | 155.2 | 0 | 0 | 110.6 | S1754 K1779 | E1752-S1754 PolarHBondContact O-N 3.46Å; E1752-S1754 VanDerWaalsContact O-N 3.07Å; E1752-K1779 HydrophobicContact CG-CD 4.07Å; E1752-K1779 HydrophobicContact CG-CG 4.22Å; E1752-K1779 WeakPolarHBondContact OE1-CD 3.3Å; E1752-K1779 WeakPolarHBondContact OE1-CE 3.35Å; E1752-K1779 IonicContact OE1-NZ 2.96Å; E1752-K1779 PolarHBondContact OE1-NZ 3.48Å | ||
| 1753 | R | 51.1 | Low | 50.7 | Low | 166 Ų | 166 | 83.2 Ų | 83.2 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | trans | -83.8 | 58.3 | 169.2 | -75.4 | 173.3 | 167.2 | 175.6 | -6.2 | 110.7 | S1778 | R1753-S1778 VanDerWaalsContact CD-O 3.29Å; R1753-S1778 WeakPolarHBondContact CD-O 3.33Å; R1753-S1778 WeakPolarHBondContact CD-OG 3.41Å; R1753-S1778 WeakPolarHBondContact CG-O 3.46Å; R1753-S1778 PolarHBondContact NH1-OG 3.39Å; R1753-S1778 VanDerWaalsContact NH1-OG 3.08Å | ||
| 1754 | S | 40.6 | Very low | 48.7 | Very low | 71 Ų | 71 | 88.5 Ų | 88.5 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | trans | -74.3 | 151.8 | 165.1 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | E1752 H1756 | E1752-S1754 PolarHBondContact O-N 3.46Å; E1752-S1754 VanDerWaalsContact O-N 3.07Å; S1754-H1756 PolarHBondContact O-N 3.33Å | ||
| 1755 | Q | 37 | Very low | 46.7 | Very low | 158 Ų | 158 | 97.1 Ų | 97.1 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | trans | -91.8 | 97.7 | -175.5 | -72.6 | -175.5 | -49.7 | 0 | 0 | 110.2 | C1760 | Q1755-C1760 HydrophobicContact CB-CB 4.24Å; Q1755-C1760 VanDerWaalsContact CD-SG 3.51Å; Q1755-C1760 VanDerWaalsContact CG-SG 3.5Å; Q1755-C1760 PolarHBondContact NE2-SG 2.99Å | ||
| 1756 | H | 35 | Very low | 44.5 | Very low | 38 Ų | 38 | 101.3 Ų | 101.3 | 18% | 0.176 | 50% | 0.495 | C | S | . | . | trans | -62.1 | 136.3 | 173.3 | -149.3 | -99.3 | 0 | 0 | 0 | 110.2 | S1754 L1758 V1759 H1843 | S1754-H1756 PolarHBondContact O-N 3.33Å; H1756-L1758 PolarHBondContact O-N 3.48Å; H1756-V1759 PolarHBondContact O-N 2.96Å; H1756-H1843 AromaticContact CD2-CD2 3.37Å; H1756-H1843 PolarHBondContact CD2-CD2 3.35Å; H1756-H1843 AromaticContact CD2-NE2 3.77Å; H1756-H1843 AromaticContact CG-CD2 3.72Å | ||
| 1757 | P | 33.5 | Very low | 42.1 | Very low | 94 Ų | 94 | 107.6 Ų | 107.6 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.1 | -172.7 | 21.5 | -33.7 | 0 | 0 | 0 | 114.7 | V1759 | P1757-V1759 VanDerWaalsContact C-N 3.27Å; P1757-V1759 PolarHBondContact O-N 3.38Å |
| 1758 | L | 40.3 | Very low | 39.9 | Very low | 91 Ų | 91 | 109.4 Ų | 109.4 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -4 | 176.1 | -63.4 | 171 | 0 | 0 | 0 | 114.3 | H1756 | H1756-L1758 PolarHBondContact O-N 3.48Š|
| 1759 | V | 36.2 | Very low | 37.6 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -131.9 | 3.3 | -168.9 | -170.4 | 0 | 0 | 0 | 0 | 113.5 | H1756 P1757 | H1756-V1759 PolarHBondContact O-N 2.96Å; P1757-V1759 VanDerWaalsContact C-N 3.27Å; P1757-V1759 PolarHBondContact O-N 3.38Å |
| 1760 | C | 28.5 | Very low | 35.7 | Very low | 49 Ų | 49 | 126.2 Ų | 126.2 | 33% | 0.331 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -132.4 | 138.5 | -173.7 | -76.2 | 0 | 0 | 0 | 0 | 115 | Q1755 Y1762 | Q1755-C1760 HydrophobicContact CB-CB 4.24Å; Q1755-C1760 VanDerWaalsContact CD-SG 3.51Å; Q1755-C1760 VanDerWaalsContact CG-SG 3.5Å; Q1755-C1760 PolarHBondContact NE2-SG 2.99Å; C1760-Y1762 PolarHBondContact O-N 3.34Å |
| 1761 | D | 27.6 | Very low | 33.9 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | trans | -66.8 | 124.4 | -168.9 | -70.1 | -74.4 | 0 | 0 | 0 | 114.3 | R1763 | D1761-R1763 PolarHBondContact O-N 3.14Š| ||
| 1762 | Y | 24.4 | Very low | 32.2 | Very low | 226 Ų | 226 | 132 Ų | 132 | 89% | 0.886 | 67% | 0.668 | S | S | * | * | trans | -69.8 | 75.8 | 163.3 | -90.8 | -97.4 | 0 | 0 | 0 | 111.2 | C1760 | C1760-Y1762 PolarHBondContact O-N 3.34Š| ||
| 1763 | R | 28.2 | Very low | 31 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 75% | 0.751 | 69% | 0.687 | S | S | * | * | trans | -133.9 | 86.9 | 172.5 | -75.7 | -166.8 | 170.4 | 177.8 | -0.6 | 114.4 | D1761 | D1761-R1763 PolarHBondContact O-N 3.14Š| ||
| 1764 | T | 27.8 | Very low | 30 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | trans | 51.7 | 110.8 | 140.2 | 64.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1765 | R | 29.4 | Very low | 29.4 | Very low | 229 Ų | 229 | 139.6 Ų | 139.6 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | 172.9 | 122.7 | 110.3 | -92.5 | 154 | -172.8 | -165.8 | -0.6 | 114.1 | |||||
| 1766 | T | 27.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | 38.1 | 114 | 142.2 | 57.5 | 0 | 0 | 0 | 0 | 119.4 | G1768 | T1766-G1768 PolarHBondContact O-N 3.08Š| ||
| 1767 | P | 25.7 | Very low | 29.4 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 93% | 0.929 | 73% | 0.726 | S | S | * | * | trans | -70.6 | 118.1 | 169.8 | 30 | -33 | 0 | 0 | 0 | 111 | ||||
| 1768 | G | 27.9 | Very low | 30 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | trans | 178.2 | 121.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1766 | T1766-G1768 PolarHBondContact O-N 3.08Š| ||
| 1769 | R | 24.5 | Very low | 30.6 | Very low | 246 Ų | 246 | 142.1 Ų | 142.1 | 93% | 0.928 | 71% | 0.711 | S | S | * | * | trans | 33.1 | 91.7 | 163 | -72.9 | -175.9 | 168.1 | -170.2 | -2.9 | 118.2 | ||||
| 1770 | R | 26.5 | Very low | 31.9 | Very low | 227 Ų | 227 | 139.2 Ų | 139.2 | 86% | 0.857 | 69% | 0.692 | S | S | * | * | trans | -150.5 | 118.5 | 135.8 | -87.8 | 112.7 | -163.8 | -107.4 | 1.4 | 106.5 | ||||
| 1771 | S | 26.4 | Very low | 33.7 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | 64.8 | 134 | 67.3 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1772 | S | 25.7 | Very low | 35.7 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -60.6 | 170.5 | -172.4 | 41.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1773 | L | 27.8 | Very low | 37.9 | Very low | 150 Ų | 150 | 120.5 Ų | 120.5 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | 87.9 | 145.9 | -175.9 | -67.1 | 89.7 | 0 | 0 | 0 | 116.9 | ||||
| 1774 | D | 29.8 | Very low | 40.2 | Very low | 134 Ų | 134 | 111.3 Ų | 111.3 | 72% | 0.717 | 57% | 0.569 | S | S | * | * | trans | 63.9 | 35.8 | 161.5 | -60.2 | -17.2 | 0 | 0 | 0 | 120.9 | ||||
| 1775 | K | 28 | Very low | 42.4 | Very low | 196 Ų | 196 | 105.8 Ų | 105.8 | 85% | 0.852 | 54% | 0.535 | S | S | * | . | trans | -90.5 | 73.1 | 140.2 | -81.8 | -165.8 | 174.1 | -172.7 | 0 | 110.7 | E1777 | K1775-E1777 VanDerWaalsContact C-N 3.34Å; K1775-E1777 PolarHBondContact O-N 3.39Å | ||
| 1776 | K | 34.2 | Very low | 44.7 | Very low | 177 Ų | 177 | 94.9 Ų | 94.9 | 77% | 0.77 | 49% | 0.494 | S | S | * | . | trans | -75.5 | 87.7 | 166.9 | -82.3 | -166.9 | 173.1 | -173 | 0 | 110 | S1778 | K1776-S1778 PolarHBondContact O-N 3.41Š| ||
| 1777 | E | 38.5 | Very low | 46.8 | Very low | 114 Ų | 114 | 89 Ų | 89 | 53% | 0.533 | 46% | 0.458 | S | S | . | . | trans | -57.1 | 104 | 168.1 | -67.2 | 175.3 | 176.2 | 0 | 0 | 109 | K1775 K1779 | K1775-E1777 VanDerWaalsContact C-N 3.34Å; K1775-E1777 PolarHBondContact O-N 3.39Å; E1777-K1779 VanDerWaalsContact C-N 3.26Å; E1777-K1779 HydrophobicContact CB-CG 4.29Å; E1777-K1779 WeakPolarHBondContact O-CG 3.28Å; E1777-K1779 PolarHBondContact O-N 2.99Å; E1777-K1779 WeakPolarHBondContact OE2-CE 3.5Å; E1777-K1779 IonicContact OE2-NZ 3.79Å; E1777-K1779 PolarHBondContact OE2-NZ 3.5Å | ||
| 1778 | S | 46.1 | Very low | 49.2 | Very low | 57 Ų | 57 | 85.7 Ų | 85.7 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | trans | -81.5 | 77 | -177.1 | 34.2 | 0 | 0 | 0 | 0 | 110.6 | R1753 K1776 | R1753-S1778 VanDerWaalsContact CD-O 3.29Å; R1753-S1778 WeakPolarHBondContact CD-O 3.33Å; R1753-S1778 WeakPolarHBondContact CD-OG 3.41Å; R1753-S1778 WeakPolarHBondContact CG-O 3.46Å; R1753-S1778 PolarHBondContact NH1-OG 3.39Å; R1753-S1778 VanDerWaalsContact NH1-OG 3.08Å; K1776-S1778 PolarHBondContact O-N 3.41Å | ||
| 1779 | K | 53.4 | Low | 51.5 | Low | 85 Ų | 85 | 83.4 Ų | 83.4 | 37% | 0.37 | 40% | 0.399 | S | S | . | . | trans | -66.2 | 128.8 | 177.4 | -41 | -164.2 | -174.8 | -144.3 | 0 | 109 | L1750 E1752 E1777 | L1750-K1779 HydrophobicContact CD1-CB 3.78Å; L1750-K1779 HydrophobicContact CD2-CB 3.97Å; L1750-K1779 HydrophobicContact CD2-CD 4Å; L1750-K1779 HydrophobicContact CG-CB 3.86Å; E1752-K1779 HydrophobicContact CG-CD 4.07Å; E1752-K1779 HydrophobicContact CG-CG 4.22Å; E1752-K1779 WeakPolarHBondContact OE1-CD 3.3Å; E1752-K1779 WeakPolarHBondContact OE1-CE 3.35Å; E1752-K1779 IonicContact OE1-NZ 2.96Å; E1752-K1779 PolarHBondContact OE1-NZ 3.48Å; E1777-K1779 VanDerWaalsContact C-N 3.26Å; E1777-K1779 HydrophobicContact CB-CG 4.29Å; E1777-K1779 WeakPolarHBondContact O-CG 3.28Å; E1777-K1779 PolarHBondContact O-N 2.99Å; E1777-K1779 WeakPolarHBondContact OE2-CE 3.5Å; E1777-K1779 IonicContact OE2-NZ 3.79Å; E1777-K1779 PolarHBondContact OE2-NZ 3.5Å | ||
| 1780 | M | 62.8 | Low | 53.9 | Low | 41 Ų | 41 | 71.7 Ų | 71.7 | 20% | 0.202 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.4 | -174.9 | -169.8 | 170.3 | 81.1 | 0 | 0 | 109.5 | I1751 V1782 K1796 | I1751-M1780 PolarHBondContact N-O 3.44Å; I1751-M1780 PolarHBondContact O-N 3.35Å; M1780-V1782 HydrophobicContact CB-CG2 4.38Å; M1780-V1782 HydrophobicContact CE-CG2 3.42Å; M1780-V1782 VanDerWaalsContact CE-CG2 3.42Å; M1780-V1782 HydrophobicContact CG-CG2 3.95Å; M1780-V1782 PolarHBondContact O-N 2.94Å; M1780-K1796 HydrophobicContact CG-CB 4.44Å; M1780-K1796 HydrophobicContact CG-CD 3.81Å; M1780-K1796 HydrophobicContact CG-CG 3.79Å; M1780-K1796 HydrophobicContact SD-CB 4.37Å; M1780-K1796 HydrophobicContact SD-CD 3.92Å; M1780-K1796 HydrophobicContact SD-CG 4.17Å |
| 1781 | L | 65.8 | Low | 56.4 | Low | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.4 | 173.9 | -166 | 67.7 | 0 | 0 | 0 | 109 | W1647 I1665 L1750 K1796 L1797 | W1647-L1781 HydrophobicContact CD2-CD1 4.04Å; W1647-L1781 HydrophobicContact CD2-CD2 4.16Å; W1647-L1781 HydrophobicContact CE3-CD2 3.94Å; W1647-L1781 HydrophobicContact CG-CD1 4.13Å; W1647-L1781 HydrophobicContact CZ3-CD2 4.35Å; I1665-L1781 HydrophobicContact CD1-CD2 4.22Å; L1750-L1781 HydrophobicContact CB-CD1 4.4Å; L1750-L1781 HydrophobicContact CD1-CB 4.27Å; L1750-L1781 HydrophobicContact CD1-CD1 4.22Å; L1781-K1796 WeakPolarHBondContact O-CA 3.24Å; L1781-L1797 HydrophobicContact CB-CB 4.49Å; L1781-L1797 HydrophobicContact CD2-CB 4.16Å; L1781-L1797 HydrophobicContact CD2-CD1 3.85Å; L1781-L1797 HydrophobicContact CG-CB 4.41Å; L1781-L1797 HydrophobicContact CG-CD1 4.19Å; L1781-L1797 PolarHBondContact O-N 3Å |
| 1782 | V | 69.7 | Low | 58.9 | Low | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.2 | -176.9 | -165.4 | 0 | 0 | 0 | 0 | 109.9 | C1748 R1749 I1751 M1780 F1784 R1795 | C1748-V1782 WeakPolarHBondContact CA-O 3.39Å; R1749-V1782 PolarHBondContact N-O 3.39Å; R1749-V1782 PolarHBondContact O-N 3.34Å; I1751-V1782 HydrophobicContact CD1-CB 4.19Å; I1751-V1782 HydrophobicContact CD1-CG2 3.79Å; I1751-V1782 HydrophobicContact CG1-CG2 4.05Å; M1780-V1782 HydrophobicContact CB-CG2 4.38Å; M1780-V1782 HydrophobicContact CE-CG2 3.42Å; M1780-V1782 VanDerWaalsContact CE-CG2 3.42Å; M1780-V1782 HydrophobicContact CG-CG2 3.95Å; M1780-V1782 PolarHBondContact O-N 2.94Å; V1782-F1784 HydrophobicContact CB-CD2 4.5Å; V1782-F1784 HydrophobicContact CB-CE2 3.8Å; V1782-F1784 HydrophobicContact CB-CZ 4.07Å; V1782-F1784 HydrophobicContact CG1-CD1 4.43Å; V1782-F1784 HydrophobicContact CG1-CD2 4.09Å; V1782-F1784 HydrophobicContact CG1-CE1 3.87Å; V1782-F1784 HydrophobicContact CG1-CE2 3.49Å; V1782-F1784 VanDerWaalsContact CG1-CE2 3.49Å; V1782-F1784 HydrophobicContact CG1-CZ 3.38Å; V1782-R1795 WeakPolarHBondContact CA-O 3.08Å; V1782-R1795 WeakPolarHBondContact CG1-O 3.32Å |
| 1783 | W | 70.9 | Confident | 61.4 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.9 | 174.1 | 174.4 | 85.7 | 0 | 0 | 0 | 109.4 | V1669 V1675 L1706 T1747 T1785 R1795 L1797 W1821 | V1669-W1783 HydrophobicContact CG2-CZ2 4.2Å; V1675-W1783 HydrophobicContact CB-CZ2 4.31Å; V1675-W1783 HydrophobicContact CG1-CZ2 4.06Å; V1675-W1783 HydrophobicContact CG2-CH2 3.63Å; V1675-W1783 HydrophobicContact CG2-CZ2 3.44Å; V1675-W1783 VanDerWaalsContact CG2-CZ2 3.44Å; L1706-W1783 HydrophobicContact CD1-CH2 3.65Å; L1706-W1783 HydrophobicContact CD1-CZ3 3.68Å; T1747-W1783 WeakPolarHBondContact O-CA 3.4Å; W1783-T1785 HydrophobicContact CH2-CG2 3.48Å; W1783-T1785 VanDerWaalsContact CH2-CG2 3.48Å; W1783-T1785 WeakPolarHBondContact CH2-OG1 3.33Å; W1783-T1785 HydrophobicContact CZ2-CG2 3.19Å; W1783-T1785 HydrophobicContact CZ3-CG2 4.46Å; W1783-T1785 WeakPolarHBondContact CZ3-OG1 3.32Å; W1783-R1795 PolarHBondContact N-O 2.99Å; W1783-R1795 PolarHBondContact O-N 3.05Å; W1783-L1797 HydrophobicContact CB-CD1 4.15Å; W1783-L1797 HydrophobicContact CB-CG 4.16Å; W1783-W1821 HydrophobicContact CZ3-CZ3 4.38Å |
| 1784 | F | 75.8 | Confident | 63.5 | Low | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.6 | 179.2 | -58.1 | -89.2 | 0 | 0 | 0 | 110.7 | W1745 S1746 T1747 I1751 V1782 F1793 L1823 I1838 L1859 | W1745-F1784 HydrophobicContact CH2-CB 4.43Å; W1745-F1784 HydrophobicContact CZ3-CB 3.87Å; S1746-F1784 VanDerWaalsContact CA-O 3.28Å; S1746-F1784 WeakPolarHBondContact CA-O 3.42Å; T1747-F1784 HydrophobicContact CG2-CB 4.31Å; T1747-F1784 HydrophobicContact CG2-CD2 4Å; T1747-F1784 PolarHBondContact N-O 3.27Å; T1747-F1784 PolarHBondContact O-N 3.22Å; I1751-F1784 HydrophobicContact CD1-CE2 4.32Å; I1751-F1784 HydrophobicContact CD1-CZ 4.19Å; V1782-F1784 HydrophobicContact CB-CD2 4.5Å; V1782-F1784 HydrophobicContact CB-CE2 3.8Å; V1782-F1784 HydrophobicContact CB-CZ 4.07Å; V1782-F1784 HydrophobicContact CG1-CD1 4.43Å; V1782-F1784 HydrophobicContact CG1-CD2 4.09Å; V1782-F1784 HydrophobicContact CG1-CE1 3.87Å; V1782-F1784 HydrophobicContact CG1-CE2 3.49Å; V1782-F1784 VanDerWaalsContact CG1-CE2 3.49Å; V1782-F1784 HydrophobicContact CG1-CZ 3.38Å; F1784-F1793 CarbonylContact C-O 3.59Å; F1784-F1793 VanDerWaalsContact CA-O 3.28Å; F1784-F1793 WeakPolarHBondContact CA-O 3.16Å; F1784-L1823 HydrophobicContact CD1-CD2 4.34Å; F1784-L1823 HydrophobicContact CE1-CD2 4.06Å; F1784-I1838 HydrophobicContact CD2-CD1 3.78Å; F1784-I1838 HydrophobicContact CE2-CD1 3.66Å; F1784-I1838 HydrophobicContact CZ-CD1 4.42Å; F1784-L1859 HydrophobicContact CE1-CD2 4.19Å; F1784-L1859 HydrophobicContact CZ-CD2 4.31Å |
| 1785 | T | 75.1 | Confident | 65.4 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.5 | 168 | 27.1 | 0 | 0 | 0 | 0 | 111.7 | V1743 W1745 W1783 V1792 F1793 | V1743-T1785 HydrophobicContact CG1-CG2 3.79Å; V1743-T1785 HydrophobicContact CG2-CG2 4.25Å; W1745-T1785 WeakPolarHBondContact O-CA 3.19Å; W1783-T1785 HydrophobicContact CH2-CG2 3.48Å; W1783-T1785 VanDerWaalsContact CH2-CG2 3.48Å; W1783-T1785 WeakPolarHBondContact CH2-OG1 3.33Å; W1783-T1785 HydrophobicContact CZ2-CG2 3.19Å; W1783-T1785 HydrophobicContact CZ3-CG2 4.46Å; W1783-T1785 WeakPolarHBondContact CZ3-OG1 3.32Å; T1785-V1792 CarbonylContact O-C 3.55Å; T1785-V1792 WeakPolarHBondContact O-CA 3.27Å; T1785-V1792 WeakPolarHBondContact O-CG1 3.12Å; T1785-F1793 PolarHBondContact N-O 3Å; T1785-F1793 PolarHBondContact O-N 3.34Å |
| 1786 | S | 76.7 | Confident | 67.5 | Low | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 159 | 157.7 | 65.5 | 0 | 0 | 0 | 0 | 110 | T1744 W1745 R1791 I1833 | T1744-S1786 PolarHBondContact N-O 3.02Å; T1744-S1786 PolarHBondContact OG1-O 2.89Å; W1745-S1786 PolarHBondContact N-O 3.11Å; W1745-S1786 PolarHBondContact O-N 3.46Å; S1786-R1791 WeakPolarHBondContact CA-O 2.94Å; S1786-I1833 WeakPolarHBondContact OG-CG2 3.5Å |
| 1787 | G | 71.4 | Confident | 69.1 | Low | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | -175.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | H1707 V1742 T1744 D1789 G1790 | H1707-G1787 PolarHBondContact CE1-N 2.85Å; H1707-G1787 PolarHBondContact ND1-N 3.16Å; V1742-G1787 VanDerWaalsContact O-CA 3.28Å; V1742-G1787 WeakPolarHBondContact O-CA 3.25Å; T1744-G1787 WeakPolarHBondContact OG1-CA 3.18Å; G1787-D1789 PolarHBondContact O-N 2.87Å; G1787-G1790 PolarHBondContact O-N 2.78Å |
| 1788 | R | 75.6 | Confident | 70.3 | Confident | 74 Ų | 74 | 26.7 Ų | 26.7 | 28% | 0.279 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.8 | -177.8 | -67 | -173.5 | -177.3 | -179.8 | 4.8 | 112.9 | I1710 N1740 S1741 V1742 T1744 G1790 T1832 | I1710-R1788 HydrophobicContact CD1-CB 4.49Å; I1710-R1788 WeakPolarHBondContact CD1-O 3.31Å; N1740-R1788 PolarHBondContact OD1-NH1 3.22Å; S1741-R1788 PolarHBondContact O-NE 3.32Å; S1741-R1788 PolarHBondContact O-NH2 3.1Å; S1741-R1788 PolarHBondContact OG-NH2 3.09Å; V1742-R1788 PolarHBondContact O-N 3.33Å; V1742-R1788 VanDerWaalsContact O-N 3.08Å; T1744-R1788 HydrophobicContact CG2-CG 3.96Å; R1788-G1790 PolarHBondContact O-N 3.04Å; R1788-T1832 HydrophobicContact CB-CG2 4.07Å; R1788-T1832 HydrophobicContact CG-CG2 4.36Å; R1788-T1832 VanDerWaalsContact O-CA 3.31Å; R1788-T1832 WeakPolarHBondContact O-CA 3.26Å; R1788-T1832 WeakPolarHBondContact O-CG2 3.3Å |
| 1789 | D | 77.3 | Confident | 71 | Confident | 17 Ų | 17 | 25 Ų | 25 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 3.5 | -177.7 | 56.2 | 12.3 | 0 | 0 | 0 | 116.3 | H1707 S1708 G1787 R1791 | H1707-D1789 VanDerWaalsContact CA-OD2 3.23Å; H1707-D1789 WeakPolarHBondContact CA-OD2 3.47Å; H1707-D1789 IonicContact CE1-OD1 3.29Å; H1707-D1789 IonicContact CG-OD1 2.71Å; H1707-D1789 IonicContact ND1-OD1 3.42Å; H1707-D1789 PolarHBondContact ND1-OD1 3.43Å; H1707-D1789 IonicContact ND1-OD2 3.57Å; S1708-D1789 PolarHBondContact N-OD2 2.84Å; S1708-D1789 WeakPolarHBondContact OG-CB 3.47Å; S1708-D1789 PolarHBondContact OG-OD2 3.23Å; S1708-D1789 VanDerWaalsContact OG-OD2 3.07Å; G1787-D1789 PolarHBondContact O-N 2.87Å; D1789-R1791 VanDerWaalsContact C-N 3.33Å; D1789-R1791 PolarHBondContact O-N 3.29Å |
| 1790 | G | 74 | Confident | 71 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 80.8 | 10.9 | 172 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1787 R1788 A1827 H1828 M1831 | G1787-G1790 PolarHBondContact O-N 2.78Å; R1788-G1790 PolarHBondContact O-N 3.04Å; G1790-A1827 PolarHBondContact O-N 3.29Å; G1790-H1828 PolarHBondContact O-N 3.47Å; G1790-H1828 VanDerWaalsContact O-N 3.07Å; G1790-M1831 WeakPolarHBondContact CA-O 3.44Å |
| 1791 | R | 80.5 | Confident | 70.5 | Confident | 69 Ų | 69 | 25.8 Ų | 25.8 | 26% | 0.26 | 14% | 0.135 | S | C | . | . | trans | -103 | 152.8 | 177.6 | -66.2 | -176.9 | 177.6 | -110.8 | -4.9 | 112.8 | S1786 D1789 F1793 D1824 L1825 E1826 T1829 | S1786-R1791 WeakPolarHBondContact CA-O 2.94Å; D1789-R1791 VanDerWaalsContact C-N 3.33Å; D1789-R1791 PolarHBondContact O-N 3.29Å; R1791-F1793 HydrophobicContact CB-CE2 4.29Å; R1791-F1793 HydrophobicContact CB-CZ 4.33Å; R1791-D1824 IonicContact NH1-OD1 2.62Å; R1791-D1824 PolarHBondContact NH1-OD1 2.77Å; R1791-D1824 VanDerWaalsContact NH1-OD1 3.09Å; R1791-D1824 IonicContact NH1-OD2 3.17Å; R1791-L1825 VanDerWaalsContact CA-O 3.32Å; R1791-L1825 WeakPolarHBondContact CA-O 3.38Å; R1791-E1826 IonicContact CZ-OE1 2.72Å; R1791-E1826 VanDerWaalsContact CZ-OE1 3.28Å; R1791-E1826 IonicContact NH1-OE1 2.85Å; R1791-E1826 PolarHBondContact NH1-OE1 3.09Å; R1791-E1826 IonicContact NH2-OE1 3.38Å; R1791-E1826 PolarHBondContact NH2-OE1 2.59Å; R1791-T1829 HydrophobicContact CG-CG2 3.91Å | ||
| 1792 | V | 77.4 | Confident | 69.8 | Low | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.5 | 165.9 | -172.7 | 0 | 0 | 0 | 0 | 109.9 | T1785 L1823 L1825 A1827 I1833 L1845 T1847 | T1785-V1792 CarbonylContact O-C 3.55Å; T1785-V1792 WeakPolarHBondContact O-CA 3.27Å; T1785-V1792 WeakPolarHBondContact O-CG1 3.12Å; V1792-L1823 HydrophobicContact CG1-CD2 4.47Å; V1792-L1825 HydrophobicContact CB-CB 4.33Å; V1792-L1825 PolarHBondContact N-O 2.93Å; V1792-L1825 PolarHBondContact O-N 3.44Å; V1792-A1827 HydrophobicContact CG2-CB 4.5Å; V1792-I1833 HydrophobicContact CG2-CD1 3.54Å; V1792-L1845 HydrophobicContact CG1-CD2 4.38Å; V1792-T1847 HydrophobicContact CG2-CG2 3.58Å |
| 1793 | F | 78.2 | Confident | 68.3 | Low | 17 Ų | 17 | 33.4 Ų | 33.4 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 137.4 | 173.4 | -66.9 | -62.4 | 0 | 0 | 0 | 110.9 | L1706 H1707 F1784 T1785 R1791 W1821 L1823 D1824 | L1706-F1793 HydrophobicContact CB-CD2 3.9Å; L1706-F1793 HydrophobicContact CB-CE2 4.14Å; L1706-F1793 HydrophobicContact CD1-CB 4.35Å; L1706-F1793 HydrophobicContact CD1-CD2 4.42Å; L1706-F1793 WeakPolarHBondContact O-CE2 3.18Å; H1707-F1793 AromaticContact CE1-CD2 3.49Å; H1707-F1793 VanDerWaalsContact CE1-CD2 3.49Å; H1707-F1793 WeakPolarHBondContact CE1-CD2 3.27Å; H1707-F1793 AromaticContact CE1-CE2 3.8Å; H1707-F1793 AromaticContact ND1-CE2 3.95Å; H1707-F1793 AromaticContact NE2-CD2 3.76Å; F1784-F1793 CarbonylContact C-O 3.59Å; F1784-F1793 VanDerWaalsContact CA-O 3.28Å; F1784-F1793 WeakPolarHBondContact CA-O 3.16Å; T1785-F1793 PolarHBondContact N-O 3Å; T1785-F1793 PolarHBondContact O-N 3.34Å; R1791-F1793 HydrophobicContact CB-CE2 4.29Å; R1791-F1793 HydrophobicContact CB-CZ 4.33Å; F1793-W1821 HydrophobicContact CB-CD2 4.3Å; F1793-W1821 HydrophobicContact CB-CE3 3.86Å; F1793-W1821 HydrophobicContact CB-CZ3 4.16Å; F1793-W1821 HydrophobicContact CD1-CB 4.24Å; F1793-W1821 AromaticContact CD1-CD2 3.92Å; F1793-W1821 HydrophobicContact CD1-CD2 3.92Å; F1793-W1821 HydrophobicContact CD1-CE3 4.33Å; F1793-W1821 AromaticContact CD1-CG 3.8Å; F1793-W1821 HydrophobicContact CD1-CG 3.8Å; F1793-W1821 HydrophobicContact CE1-CG 4.33Å; F1793-W1821 HydrophobicContact CG-CD2 4.36Å; F1793-W1821 HydrophobicContact CG-CE3 4.4Å; F1793-L1823 CarbonylContact C-O 3.59Å; F1793-L1823 WeakPolarHBondContact CA-O 3.11Å; F1793-D1824 HydrophobicContact CD1-CB 4.41Å; F1793-D1824 HydrophobicContact CE1-CB 4.4Å; F1793-D1824 WeakPolarHBondContact CE1-OD1 3.37Å |
| 1794 | G | 73 | Confident | 66.5 | Low | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1822 L1823 | G1794-K1822 PolarHBondContact O-N 3.03Å; G1794-L1823 PolarHBondContact N-O 2.89Å; G1794-L1823 PolarHBondContact O-N 3.19Å |
| 1795 | R | 70.3 | Confident | 64.3 | Low | 47 Ų | 47 | 45.1 Ų | 45.1 | 18% | 0.177 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.1 | 175.3 | -112.6 | -176.1 | -175.6 | 157.7 | 5.2 | 112.3 | F1703 V1782 W1783 D1819 W1821 | F1703-R1795 VanDerWaalsContact CD1-NH1 3.34Å; V1782-R1795 WeakPolarHBondContact CA-O 3.08Å; V1782-R1795 WeakPolarHBondContact CG1-O 3.32Å; W1783-R1795 PolarHBondContact N-O 2.99Å; W1783-R1795 PolarHBondContact O-N 3.05Å; R1795-D1819 PolarHBondContact NH2-O 3.1Å; R1795-W1821 HydrophobicContact CB-CE3 4.27Å; R1795-W1821 HydrophobicContact CB-CZ3 3.82Å; R1795-W1821 VanDerWaalsContact CD-CZ3 3.47Å; R1795-W1821 HydrophobicContact CG-CE3 3.75Å; R1795-W1821 HydrophobicContact CG-CH2 4.25Å; R1795-W1821 HydrophobicContact CG-CZ3 3.52Å |
| 1796 | K | 70.5 | Confident | 62.3 | Low | 54 Ų | 54 | 50.3 Ų | 50.3 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.2 | 162.9 | 178.9 | -174.9 | 175.8 | -171.8 | 0 | 108.2 | M1780 L1781 D1802 | M1780-K1796 HydrophobicContact CG-CB 4.44Å; M1780-K1796 HydrophobicContact CG-CD 3.81Å; M1780-K1796 HydrophobicContact CG-CG 3.79Å; M1780-K1796 HydrophobicContact SD-CB 4.37Å; M1780-K1796 HydrophobicContact SD-CD 3.92Å; M1780-K1796 HydrophobicContact SD-CG 4.17Å; L1781-K1796 WeakPolarHBondContact O-CA 3.24Å; K1796-D1802 WeakPolarHBondContact CE-OD2 3.19Å; K1796-D1802 IonicContact NZ-OD2 3.21Å; K1796-D1802 PolarHBondContact NZ-OD2 3.32Å |
| 1797 | L | 68.1 | Low | 59.9 | Low | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 132.4 | 163.6 | -69.3 | 173.1 | 0 | 0 | 0 | 108.9 | V1667 V1677 F1703 L1781 W1783 | V1667-L1797 HydrophobicContact CG2-CD1 4.02Å; V1677-L1797 HydrophobicContact CG2-CD2 3.95Å; F1703-L1797 HydrophobicContact CE2-CD2 4.09Å; F1703-L1797 HydrophobicContact CZ-CD2 4.44Å; L1781-L1797 HydrophobicContact CB-CB 4.49Å; L1781-L1797 HydrophobicContact CD2-CB 4.16Å; L1781-L1797 HydrophobicContact CD2-CD1 3.85Å; L1781-L1797 HydrophobicContact CG-CB 4.41Å; L1781-L1797 HydrophobicContact CG-CD1 4.19Å; L1781-L1797 PolarHBondContact O-N 3Å; W1783-L1797 HydrophobicContact CB-CD1 4.15Å; W1783-L1797 HydrophobicContact CB-CG 4.16Å |
| 1798 | F | 64.3 | Low | 57.8 | Low | 76 Ų | 76 | 61.3 Ų | 61.3 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 140.2 | 177.4 | -69.9 | -88.6 | 0 | 0 | 0 | 110.3 | Y1679 | Y1679-F1798 WeakPolarHBondContact CE1-O 3.47Å; Y1679-F1798 PolarHBondContact OH-O 2.79Å |
| 1799 | L | 59.7 | Low | 55.6 | Low | 20 Ų | 20 | 64.5 Ų | 64.5 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 139 | 176.9 | -65.9 | 167.3 | 0 | 0 | 0 | 109 | W1647 I1665 G1801 D1802 | W1647-L1799 HydrophobicContact CH2-CD2 4.46Å; W1647-L1799 HydrophobicContact CZ3-CD2 3.78Å; I1665-L1799 HydrophobicContact CD1-CD2 3.54Å; L1799-G1801 PolarHBondContact O-N 2.77Å; L1799-D1802 PolarHBondContact O-N 2.9Å; L1799-D1802 VanDerWaalsContact O-N 3.1Å |
| 1800 | P | 53.5 | Low | 53.3 | Low | 86 Ų | 86 | 73 Ų | 73 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 80.8 | 176 | 29.3 | -34.1 | 0 | 0 | 0 | 110.3 | L1663 Y1679 | L1663-P1800 HydrophobicContact CD1-CG 3.82Å; L1663-P1800 HydrophobicContact CD2-CG 3.45Å; L1663-P1800 VanDerWaalsContact CD2-CG 3.45Å; L1663-P1800 HydrophobicContact CG-CG 4.29Å; Y1679-P1800 HydrophobicContact CD1-CG 4.17Å |
| 1801 | G | 52.6 | Low | 51.1 | Low | 57 Ų | 57 | 81.4 Ų | 81.4 | 59% | 0.588 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 167.3 | -32.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1799 N1803 | L1799-G1801 PolarHBondContact O-N 2.77Å; G1801-N1803 VanDerWaalsContact C-N 3.32Å; G1801-N1803 PolarHBondContact O-N 2.88Å |
| 1802 | D | 51.7 | Low | 48.7 | Very low | 81 Ų | 81 | 86.1 Ų | 86.1 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33.9 | 177.2 | -95.8 | -13.7 | 0 | 0 | 0 | 112.9 | K1796 L1799 K1804 | K1796-D1802 WeakPolarHBondContact CE-OD2 3.19Å; K1796-D1802 IonicContact NZ-OD2 3.21Å; K1796-D1802 PolarHBondContact NZ-OD2 3.32Å; L1799-D1802 PolarHBondContact O-N 2.9Å; L1799-D1802 VanDerWaalsContact O-N 3.1Å; D1802-K1804 VanDerWaalsContact C-N 3.3Å; D1802-K1804 PolarHBondContact O-N 2.92Å |
| 1803 | N | 37.5 | Very low | 46.3 | Very low | 91 Ų | 91 | 95 Ų | 95 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | trans | -83.4 | 64.4 | -173.8 | -77.6 | -10 | 0 | 0 | 0 | 113 | G1801 S1805 | G1801-N1803 VanDerWaalsContact C-N 3.32Å; G1801-N1803 PolarHBondContact O-N 2.88Å; N1803-S1805 VanDerWaalsContact C-N 3.27Å | ||
| 1804 | K | 32.6 | Very low | 43.8 | Very low | 154 Ų | 154 | 100.1 Ų | 100.1 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -83.4 | 3.7 | 162.5 | -76.8 | -178.1 | 176.6 | 175.9 | 0 | 113.7 | E1654 D1802 | E1654-K1804 IonicContact OE1-NZ 2.79Å; E1654-K1804 PolarHBondContact OE1-NZ 3.5Å; E1654-K1804 IonicContact OE2-NZ 2.86Å; E1654-K1804 PolarHBondContact OE2-NZ 3.41Å; D1802-K1804 VanDerWaalsContact C-N 3.3Å; D1802-K1804 PolarHBondContact O-N 2.92Å |
| 1805 | S | 31.4 | Very low | 41.6 | Very low | 98 Ų | 98 | 103.6 Ų | 103.6 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -122.7 | -19.1 | -175.4 | 55.3 | 0 | 0 | 0 | 0 | 116.1 | N1803 T1807 | N1803-S1805 VanDerWaalsContact C-N 3.27Å; S1805-T1807 PolarHBondContact O-N 3.01Å |
| 1806 | V | 31.6 | Very low | 39.7 | Very low | 110 Ų | 110 | 108.1 Ų | 108.1 | 67% | 0.667 | 61% | 0.611 | S | S | * | * | trans | -95.5 | 76.6 | 179.2 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1807 | T | 26.8 | Very low | 37.8 | Very low | 114 Ų | 114 | 114.1 Ų | 114.1 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | trans | -89.1 | 175.4 | 165.3 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | S1805 | S1805-T1807 PolarHBondContact O-N 3.01Š| ||
| 1808 | V | 28.2 | Very low | 35.9 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | trans | 86.7 | 121.4 | 167.2 | -173.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1809 | N | 27.9 | Very low | 34.7 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | 66.7 | 100.9 | 159 | -63.5 | -2.2 | 0 | 0 | 0 | 120.6 | ||||
| 1810 | K | 29.4 | Very low | 33.6 | Very low | 194 Ų | 194 | 130.4 Ų | 130.4 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -55.9 | 161.7 | 133.3 | -64.6 | 173.6 | 178.3 | 175.1 | 0 | 109.6 | ||
| 1811 | E | 28.8 | Very low | 33.5 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | trans | 66.7 | 83.3 | 177.5 | -57.4 | 178.1 | -155.4 | 0 | 0 | 114.9 | ||||
| 1812 | N | 29.2 | Very low | 33.8 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 90% | 0.898 | 71% | 0.71 | S | S | * | * | -159.9 | 160.1 | 116.3 | -106.4 | -59.3 | 0 | 0 | 0 | 112.8 | |||||
| 1813 | K | 27.7 | Very low | 34.4 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 82% | 0.817 | 69% | 0.694 | S | S | * | * | trans | -96.1 | 152.5 | 175.9 | -67.5 | 171.6 | 179.3 | 172.2 | 0 | 109.8 | ||||
| 1814 | S | 25.8 | Very low | 36.1 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 66.6 | 149.3 | 176.3 | 74.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1815 | G | 25.4 | Very low | 38 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 66% | 0.662 | S | S | * | * | trans | 90.4 | 6.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | E1817 | G1815-E1817 PolarHBondContact O-N 2.96Š| ||
| 1816 | V | 30.8 | Very low | 40.2 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 86% | 0.861 | 66% | 0.656 | S | S | * | * | trans | -75.5 | 106.4 | 167.3 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | S1818 | V1816-S1818 PolarHBondContact O-N 3.32Š| ||
| 1817 | E | 29.9 | Very low | 42.1 | Very low | 180 Ų | 180 | 119.3 Ų | 119.3 | 84% | 0.841 | 63% | 0.625 | S | S | * | * | trans | -57.6 | 137.3 | 178.6 | -64.2 | -173.3 | 124.8 | 0 | 0 | 110.5 | G1815 D1819 | G1815-E1817 PolarHBondContact O-N 2.96Å; E1817-D1819 PolarHBondContact O-N 2.88Å | ||
| 1818 | S | 29.5 | Very low | 44.5 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | -66.3 | 104.4 | -175.1 | -62.9 | 0 | 0 | 0 | 0 | 110 | V1816 R1820 | V1816-S1818 PolarHBondContact O-N 3.32Å; S1818-R1820 VanDerWaalsContact O-CA 3.25Å; S1818-R1820 WeakPolarHBondContact O-CA 3Å; S1818-R1820 PolarHBondContact O-N 3.08Å | ||
| 1819 | D | 38.7 | Very low | 46.5 | Very low | 114 Ų | 114 | 111.4 Ų | 111.4 | 61% | 0.61 | 58% | 0.577 | S | S | * | * | trans | -52.2 | 110.3 | -177.3 | -172.1 | 26.1 | 0 | 0 | 0 | 109.7 | R1795 E1817 | R1795-D1819 PolarHBondContact NH2-O 3.1Å; E1817-D1819 PolarHBondContact O-N 2.88Å | ||
| 1820 | R | 37.4 | Very low | 48.2 | Very low | 224 Ų | 224 | 109.5 Ų | 109.5 | 85% | 0.845 | 57% | 0.572 | S | S | * | * | trans | -76.8 | 134.1 | -145.7 | -163.5 | 173.5 | -178.2 | 175.1 | 0 | 109 | S1818 K1822 | S1818-R1820 VanDerWaalsContact O-CA 3.25Å; S1818-R1820 WeakPolarHBondContact O-CA 3Å; S1818-R1820 PolarHBondContact O-N 3.08Å; R1820-K1822 PolarHBondContact O-N 3.49Å | ||
| 1821 | W | 50.1 | Low | 50.4 | Low | 55 Ų | 55 | 104.3 Ų | 104.3 | 21% | 0.208 | 55% | 0.552 | C | S | . | * | trans | -45.1 | 115.7 | -175.8 | -67.4 | 104.9 | 0 | 0 | 0 | 111.1 | L1706 W1783 F1793 R1795 L1823 D1824 | L1706-W1821 HydrophobicContact CD1-CH2 3.41Å; L1706-W1821 VanDerWaalsContact CD1-CH2 3.41Å; L1706-W1821 HydrophobicContact CD1-CZ2 3.97Å; L1706-W1821 HydrophobicContact CD1-CZ3 3.92Å; L1706-W1821 HydrophobicContact CD2-CH2 3.53Å; L1706-W1821 HydrophobicContact CD2-CZ2 3.28Å; L1706-W1821 HydrophobicContact CG-CH2 4.13Å; L1706-W1821 HydrophobicContact CG-CZ2 4.26Å; W1783-W1821 HydrophobicContact CZ3-CZ3 4.38Å; F1793-W1821 HydrophobicContact CB-CD2 4.3Å; F1793-W1821 HydrophobicContact CB-CE3 3.86Å; F1793-W1821 HydrophobicContact CB-CZ3 4.16Å; F1793-W1821 HydrophobicContact CD1-CB 4.24Å; F1793-W1821 AromaticContact CD1-CD2 3.92Å; F1793-W1821 HydrophobicContact CD1-CD2 3.92Å; F1793-W1821 HydrophobicContact CD1-CE3 4.33Å; F1793-W1821 AromaticContact CD1-CG 3.8Å; F1793-W1821 HydrophobicContact CD1-CG 3.8Å; F1793-W1821 HydrophobicContact CE1-CG 4.33Å; F1793-W1821 HydrophobicContact CG-CD2 4.36Å; F1793-W1821 HydrophobicContact CG-CE3 4.4Å; R1795-W1821 HydrophobicContact CB-CE3 4.27Å; R1795-W1821 HydrophobicContact CB-CZ3 3.82Å; R1795-W1821 VanDerWaalsContact CD-CZ3 3.47Å; R1795-W1821 HydrophobicContact CG-CE3 3.75Å; R1795-W1821 HydrophobicContact CG-CH2 4.25Å; R1795-W1821 HydrophobicContact CG-CZ3 3.52Å; W1821-L1823 PolarHBondContact O-N 3.17Å; W1821-D1824 HydrophobicContact CB-CB 4.01Å | ||
| 1822 | K | 58.8 | Low | 52.6 | Low | 160 Ų | 160 | 97.7 Ų | 97.7 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -73.8 | -18 | -172 | -145.4 | 172 | -169.9 | 170.4 | 0 | 111.7 | G1794 R1820 | G1794-K1822 PolarHBondContact O-N 3.03Å; R1820-K1822 PolarHBondContact O-N 3.49Å |
| 1823 | L | 65.9 | Low | 55.2 | Low | 18 Ų | 18 | 89.7 Ų | 89.7 | 9% | 0.094 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.4 | 156.5 | -135.7 | 85.3 | 0 | 0 | 0 | 107.4 | F1784 V1792 F1793 G1794 W1821 L1825 L1845 L1859 | F1784-L1823 HydrophobicContact CD1-CD2 4.34Å; F1784-L1823 HydrophobicContact CE1-CD2 4.06Å; V1792-L1823 HydrophobicContact CG1-CD2 4.47Å; F1793-L1823 CarbonylContact C-O 3.59Å; F1793-L1823 WeakPolarHBondContact CA-O 3.11Å; G1794-L1823 PolarHBondContact N-O 2.89Å; G1794-L1823 PolarHBondContact O-N 3.19Å; W1821-L1823 PolarHBondContact O-N 3.17Å; L1823-L1825 HydrophobicContact CD2-CD1 3.56Å; L1823-L1825 HydrophobicContact CD2-CG 3.95Å; L1823-L1825 HydrophobicContact CG-CD1 4.07Å; L1823-L1825 HydrophobicContact CG-CG 3.98Å; L1823-L1845 HydrophobicContact CD2-CD2 3.89Å; L1823-L1859 HydrophobicContact CD1-CD2 3.94Å; L1823-L1859 HydrophobicContact CD2-CD2 3.74Å |
| 1824 | D | 71.6 | Confident | 57.8 | Low | 74 Ų | 74 | 82 Ų | 82 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 91.1 | 165.9 | -177.3 | 1.6 | 0 | 0 | 0 | 105.4 | R1791 F1793 W1821 | R1791-D1824 IonicContact NH1-OD1 2.62Å; R1791-D1824 PolarHBondContact NH1-OD1 2.77Å; R1791-D1824 VanDerWaalsContact NH1-OD1 3.09Å; R1791-D1824 IonicContact NH1-OD2 3.17Å; F1793-D1824 HydrophobicContact CD1-CB 4.41Å; F1793-D1824 HydrophobicContact CE1-CB 4.4Å; F1793-D1824 WeakPolarHBondContact CE1-OD1 3.37Å; W1821-D1824 HydrophobicContact CB-CB 4.01Å |
| 1825 | L | 73 | Confident | 60.3 | Low | 16 Ų | 16 | 77.3 Ų | 77.3 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.4 | -177.6 | -64.8 | 177.5 | 0 | 0 | 0 | 110 | R1791 V1792 L1823 A1827 L1845 W1857 | R1791-L1825 VanDerWaalsContact CA-O 3.32Å; R1791-L1825 WeakPolarHBondContact CA-O 3.38Å; V1792-L1825 HydrophobicContact CB-CB 4.33Å; V1792-L1825 PolarHBondContact N-O 2.93Å; V1792-L1825 PolarHBondContact O-N 3.44Å; L1823-L1825 HydrophobicContact CD2-CD1 3.56Å; L1823-L1825 HydrophobicContact CD2-CG 3.95Å; L1823-L1825 HydrophobicContact CG-CD1 4.07Å; L1823-L1825 HydrophobicContact CG-CG 3.98Å; L1825-A1827 HydrophobicContact CB-CB 4.39Å; L1825-A1827 PolarHBondContact O-N 3.31Å; L1825-L1845 HydrophobicContact CD1-CD2 3.83Å; L1825-W1857 HydrophobicContact CD1-CB 4.29Å; L1825-W1857 HydrophobicContact CD1-CD2 4.08Å; L1825-W1857 HydrophobicContact CD1-CE3 4.34Å; L1825-W1857 HydrophobicContact CD1-CG 4.04Å; L1825-W1857 HydrophobicContact CD2-CE3 4.28Å |
| 1826 | E | 77.2 | Confident | 63 | Low | 117 Ų | 117 | 73.8 Ų | 73.8 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | trans | -74.8 | 60.9 | 165.6 | -62 | -172.9 | 147.8 | 0 | 0 | 110 | R1791 T1829 | R1791-E1826 IonicContact CZ-OE1 2.72Å; R1791-E1826 VanDerWaalsContact CZ-OE1 3.28Å; R1791-E1826 IonicContact NH1-OE1 2.85Å; R1791-E1826 PolarHBondContact NH1-OE1 3.09Å; R1791-E1826 IonicContact NH2-OE1 3.38Å; R1791-E1826 PolarHBondContact NH2-OE1 2.59Å; E1826-T1829 HydrophobicContact CB-CG2 4.08Å; E1826-T1829 HydrophobicContact CG-CG2 4.37Å | ||
| 1827 | A | 73.2 | Confident | 65.4 | Low | 3 Ų | 3 | 68.6 Ų | 68.6 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -70 | -39.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1790 V1792 L1825 I1833 T1847 K1855 W1857 | G1790-A1827 PolarHBondContact O-N 3.29Å; V1792-A1827 HydrophobicContact CG2-CB 4.5Å; L1825-A1827 HydrophobicContact CB-CB 4.39Å; L1825-A1827 PolarHBondContact O-N 3.31Å; A1827-I1833 HydrophobicContact CB-CD1 4.27Å; A1827-T1847 HydrophobicContact CB-CG2 4.23Å; A1827-K1855 VanDerWaalsContact O-CD 3.3Å; A1827-K1855 WeakPolarHBondContact O-CD 3.46Å; A1827-K1855 PolarHBondContact O-NZ 3.05Å; A1827-W1857 HydrophobicContact CB-CH2 4.38Å; A1827-W1857 HydrophobicContact CB-CZ2 3.54Å |
| 1828 | H | 76.3 | Confident | 67.5 | Low | 5 Ų | 5 | 60.1 Ų | 60.1 | 2% | 0.023 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -142.2 | 19.6 | -175 | -62 | -91.8 | 0 | 0 | 0 | 113.9 | G1790 M1831 I1833 T1847 S1849 D1851 T1853 K1855 | G1790-H1828 PolarHBondContact O-N 3.47Å; G1790-H1828 VanDerWaalsContact O-N 3.07Å; H1828-M1831 WeakPolarHBondContact O-CA 3.44Å; H1828-M1831 WeakPolarHBondContact O-CB 3.36Å; H1828-M1831 PolarHBondContact O-N 3.37Å; H1828-I1833 HydrophobicContact CB-CG1 4.25Å; H1828-T1847 PolarHBondContact CD2-OG1 2.82Å; H1828-T1847 VanDerWaalsContact NE2-CB 3.34Å; H1828-T1847 WeakPolarHBondContact NE2-CB 3.33Å; H1828-T1847 PolarHBondContact NE2-O 3.13Å; H1828-T1847 PolarHBondContact NE2-OG1 3.44Å; H1828-S1849 WeakPolarHBondContact CB-OG 3.22Å; H1828-S1849 WeakPolarHBondContact ND1-CB 3.38Å; H1828-D1851 IonicContact CE1-OD1 2.65Å; H1828-D1851 IonicContact CE1-OD2 2.8Å; H1828-D1851 IonicContact CG-OD2 2.91Å; H1828-D1851 IonicContact ND1-OD1 2.91Å; H1828-D1851 PolarHBondContact ND1-OD1 2.84Å; H1828-D1851 VanDerWaalsContact ND1-OD1 3.12Å; H1828-D1851 IonicContact ND1-OD2 3.39Å; H1828-D1851 PolarHBondContact ND1-OD2 3.28Å; H1828-T1853 PolarHBondContact CE1-OG1 3.05Å; H1828-T1853 VanDerWaalsContact CE1-OG1 3.22Å; H1828-T1853 PolarHBondContact ND1-OG1 3.24Å; H1828-K1855 PolarHBondContact ND1-NZ 3.48Å |
| 1829 | T | 70.4 | Confident | 69.5 | Low | 61 Ų | 61 | 55.2 Ų | 55.2 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 129.5 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | R1791 E1826 | R1791-T1829 HydrophobicContact CG-CG2 3.91Å; E1826-T1829 HydrophobicContact CB-CG2 4.08Å; E1826-T1829 HydrophobicContact CG-CG2 4.37Å |
| 1830 | P | 63.4 | Low | 70.8 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 66% | 0.656 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -100.6 | 18 | 7 | 41 | -36.6 | 0 | 0 | 0 | 114.4 | I1710 | I1710-P1830 WeakPolarHBondContact CD1-O 3.4Š|
| 1831 | M | 74.4 | Confident | 72.2 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 42% | 0.419 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -85.8 | 147.3 | -179.1 | -74.2 | -70.1 | 141.9 | 0 | 0 | 111.9 | G1790 H1828 D1851 | G1790-M1831 WeakPolarHBondContact CA-O 3.44Å; H1828-M1831 WeakPolarHBondContact O-CA 3.44Å; H1828-M1831 WeakPolarHBondContact O-CB 3.36Å; H1828-M1831 PolarHBondContact O-N 3.37Å; M1831-D1851 HydrophobicContact CB-CB 3.86Å; M1831-D1851 HydrophobicContact CG-CB 3.83Å |
| 1832 | T | 76.6 | Confident | 73 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 24% | 0.239 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 136 | -177.1 | 63.8 | 0 | 0 | 0 | 0 | 111 | I1710 R1788 S1849 T1850 | I1710-T1832 HydrophobicContact CD1-CG2 4.44Å; R1788-T1832 HydrophobicContact CB-CG2 4.07Å; R1788-T1832 HydrophobicContact CG-CG2 4.36Å; R1788-T1832 VanDerWaalsContact O-CA 3.31Å; R1788-T1832 WeakPolarHBondContact O-CA 3.26Å; R1788-T1832 WeakPolarHBondContact O-CG2 3.3Å; T1832-S1849 VanDerWaalsContact O-CA 3.3Å; T1832-S1849 WeakPolarHBondContact O-CA 3.33Å; T1832-S1849 WeakPolarHBondContact O-CB 3.19Å; T1832-S1849 PolarHBondContact O-OG 3.31Å; T1832-T1850 PolarHBondContact N-OG1 3.2Å; T1832-T1850 PolarHBondContact O-N 3.23Å; T1832-T1850 VanDerWaalsContact O-N 3.15Å; T1832-T1850 PolarHBondContact O-OG1 2.93Å; T1832-T1850 WeakPolarHBondContact OG1-CG2 3.44Å; T1832-T1850 PolarHBondContact OG1-OG1 2.98Å |
| 1833 | I | 83.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.1 | 164.5 | -68.5 | 170.2 | 0 | 0 | 0 | 107.3 | T1744 S1786 V1792 A1827 H1828 T1847 G1848 | T1744-I1833 VanDerWaalsContact CB-O 3.26Å; T1744-I1833 WeakPolarHBondContact CB-O 3.47Å; T1744-I1833 PolarHBondContact OG1-O 3.11Å; S1786-I1833 WeakPolarHBondContact OG-CG2 3.5Å; V1792-I1833 HydrophobicContact CG2-CD1 3.54Å; A1827-I1833 HydrophobicContact CB-CD1 4.27Å; H1828-I1833 HydrophobicContact CB-CG1 4.25Å; I1833-T1847 HydrophobicContact CD1-CG2 4.3Å; I1833-G1848 WeakPolarHBondContact CA-O 3.42Å |
| 1834 | T | 81.4 | Confident | 74.2 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -40.7 | -174.1 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | G1848 T1850 V1875 | T1834-G1848 PolarHBondContact N-O 3.01Å; T1834-G1848 PolarHBondContact OG1-O 3.03Å; T1834-G1848 VanDerWaalsContact OG1-O 3.1Å; T1834-T1850 HydrophobicContact CG2-CG2 4.02Å; T1834-V1875 WeakPolarHBondContact CB-O 3.3Å; T1834-V1875 VanDerWaalsContact CG2-O 3.31Å; T1834-V1875 WeakPolarHBondContact CG2-O 3.39Å; T1834-V1875 PolarHBondContact OG1-O 3.3Å |
| 1835 | N | 78.8 | Confident | 74.7 | Confident | 24 Ų | 24 | 30.3 Ų | 30.3 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 162.4 | 177 | -165.4 | 7.7 | 0 | 0 | 0 | 109.8 | W1745 G1848 R1876 S1877 | W1745-N1835 PolarHBondContact NE1-OD1 3.12Å; N1835-G1848 PolarHBondContact O-N 3.22Å; N1835-R1876 WeakPolarHBondContact CB-O 2.98Å; N1835-S1877 PolarHBondContact ND2-OG 3.08Å |
| 1836 | A | 83.5 | Confident | 75.2 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 158.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | W1745 L1845 V1846 T1847 | W1745-A1836 HydrophobicContact CD2-CB 4.01Å; W1745-A1836 HydrophobicContact CE3-CB 4.04Å; W1745-A1836 HydrophobicContact CH2-CB 4.02Å; W1745-A1836 HydrophobicContact CZ2-CB 4.01Å; W1745-A1836 VanDerWaalsContact CZ2-O 3.25Å; W1745-A1836 WeakPolarHBondContact CZ2-O 3.26Å; W1745-A1836 HydrophobicContact CZ3-CB 4.05Å; W1745-A1836 PolarHBondContact NE1-O 3.17Å; A1836-L1845 HydrophobicContact CB-CD1 4.41Å; A1836-V1846 CarbonylContact C-O 3.59Å; A1836-V1846 WeakPolarHBondContact CA-O 3.47Å; A1836-V1846 VanDerWaalsContact CB-O 3.29Å; A1836-V1846 WeakPolarHBondContact CB-O 3.25Å; A1836-T1847 HydrophobicContact CB-CG2 4.48Å |
| 1837 | D | 80.5 | Confident | 75.7 | Confident | 33 Ų | 33 | 24 Ų | 24 | 18% | 0.176 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 162.8 | 170.5 | -166 | 19.3 | 0 | 0 | 0 | 111.6 | R1749 V1846 A1879 F1880 | R1749-D1837 IonicContact NH2-OD1 2.93Å; R1749-D1837 PolarHBondContact NH2-OD1 2.96Å; D1837-V1846 PolarHBondContact N-O 3.28Å; D1837-V1846 VanDerWaalsContact N-O 3.07Å; D1837-V1846 PolarHBondContact O-N 3.34Å; D1837-A1879 WeakPolarHBondContact OD2-CA 3.29Å; D1837-F1880 HydrophobicContact CB-CD2 4.19Å; D1837-F1880 PolarHBondContact OD2-N 3.06Å |
| 1838 | I | 74.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.5 | -175.4 | -58.4 | 174.7 | 0 | 0 | 0 | 109.1 | W1745 T1747 R1749 F1784 W1844 L1845 L1859 F1880 | W1745-I1838 HydrophobicContact CH2-CD1 4.48Å; T1747-I1838 HydrophobicContact CG2-CD1 3.97Å; R1749-I1838 PolarHBondContact NH1-O 2.89Å; R1749-I1838 PolarHBondContact NH2-O 3.47Å; F1784-I1838 HydrophobicContact CD2-CD1 3.78Å; F1784-I1838 HydrophobicContact CE2-CD1 3.66Å; F1784-I1838 HydrophobicContact CZ-CD1 4.42Å; I1838-W1844 WeakPolarHBondContact CA-O 3.46Å; I1838-L1845 HydrophobicContact CG1-CD1 4.01Å; I1838-L1859 HydrophobicContact CG2-CD1 4.1Å; I1838-F1880 VanDerWaalsContact C-CD2 3.43Å |
| 1839 | G | 70.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -61.3 | 158 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1841 G1842 W1844 F1880 | G1839-S1841 PolarHBondContact O-N 3.17Å; G1839-S1841 VanDerWaalsContact O-N 3.13Å; G1839-G1842 PolarHBondContact O-N 3.47Å; G1839-W1844 PolarHBondContact N-O 3.34Å; G1839-F1880 VanDerWaalsContact CA-CD2 3.48Å; G1839-F1880 VanDerWaalsContact CA-CG 3.45Å | ||
| 1840 | P | 66.9 | Low | 77.3 | Confident | 50 Ų | 50 | 22.1 Ų | 22.1 | 33% | 0.325 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.1 | -171.6 | 22.2 | -34 | 0 | 0 | 0 | 113.6 | G1842 Q1881 P1882 V1884 | P1840-G1842 VanDerWaalsContact C-N 3.28Å; P1840-G1842 PolarHBondContact O-N 3.25Å; P1840-Q1881 WeakPolarHBondContact CD-O 3.25Å; P1840-Q1881 WeakPolarHBondContact CG-O 3.31Å; P1840-P1882 WeakPolarHBondContact CB-O 3.36Å; P1840-V1884 HydrophobicContact CB-CG2 4.1Å; P1840-V1884 HydrophobicContact CG-CG2 3.48Å; P1840-V1884 VanDerWaalsContact CG-CG2 3.48Å |
| 1841 | S | 65.8 | Low | 78.3 | Confident | 35 Ų | 35 | 19.4 Ų | 19.4 | 25% | 0.245 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -5.1 | 174.6 | 61.8 | 0 | 0 | 0 | 0 | 115.2 | G1839 H1843 | G1839-S1841 PolarHBondContact O-N 3.17Å; G1839-S1841 VanDerWaalsContact O-N 3.13Å; S1841-H1843 PolarHBondContact O-N 3.31Å |
| 1842 | G | 68.4 | Low | 78.8 | Confident | 12 Ų | 12 | 18.4 Ų | 18.4 | 12% | 0.124 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 69.7 | 7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1839 P1840 L1859 | G1839-G1842 PolarHBondContact O-N 3.47Å; P1840-G1842 VanDerWaalsContact C-N 3.28Å; P1840-G1842 PolarHBondContact O-N 3.25Å; G1842-L1859 WeakPolarHBondContact O-CD1 3.49Å |
| 1843 | H | 73.1 | Confident | 79.2 | Confident | 22 Ų | 22 | 17.2 Ų | 17.2 | 10% | 0.102 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -104.2 | -14 | -178.2 | -56.2 | -34.7 | 0 | 0 | 0 | 114.7 | H1756 S1841 F1858 L1859 | H1756-H1843 AromaticContact CD2-CD2 3.37Å; H1756-H1843 PolarHBondContact CD2-CD2 3.35Å; H1756-H1843 AromaticContact CD2-NE2 3.77Å; H1756-H1843 AromaticContact CG-CD2 3.72Å; S1841-H1843 PolarHBondContact O-N 3.31Å; H1843-F1858 HydrophobicContact CB-CD2 4.44Å; H1843-F1858 HydrophobicContact CB-CE2 3.98Å; H1843-L1859 WeakPolarHBondContact O-CB 3.44Å; H1843-L1859 PolarHBondContact O-N 3.46Å |
| 1844 | W | 76.6 | Confident | 79.2 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.6 | -178.5 | -51 | 101.8 | 0 | 0 | 0 | 109.5 | I1838 G1839 V1856 F1858 A1865 F1880 L1890 L1911 | I1838-W1844 WeakPolarHBondContact CA-O 3.46Å; G1839-W1844 PolarHBondContact N-O 3.34Å; W1844-V1856 HydrophobicContact CE3-CG1 4.5Å; W1844-F1858 HydrophobicContact CD2-CD2 4.22Å; W1844-F1858 HydrophobicContact CE3-CB 4.37Å; W1844-F1858 AromaticContact CE3-CD2 3.82Å; W1844-F1858 HydrophobicContact CE3-CD2 3.82Å; W1844-F1858 AromaticContact CH2-CD2 3.7Å; W1844-F1858 HydrophobicContact CH2-CD2 3.7Å; W1844-F1858 HydrophobicContact CH2-CE2 4.13Å; W1844-F1858 HydrophobicContact CZ2-CD2 4.11Å; W1844-F1858 HydrophobicContact CZ2-CE2 4.21Å; W1844-F1858 HydrophobicContact CZ3-CB 4.07Å; W1844-F1858 AromaticContact CZ3-CD2 3.54Å; W1844-F1858 HydrophobicContact CZ3-CD2 3.54Å; W1844-F1858 HydrophobicContact CZ3-CE2 4.41Å; W1844-F1858 HydrophobicContact CZ3-CG 4.19Å; W1844-A1865 HydrophobicContact CZ3-CB 3.95Å; W1844-F1880 HydrophobicContact CB-CE1 4.08Å; W1844-F1880 HydrophobicContact CB-CE2 4.44Å; W1844-F1880 HydrophobicContact CB-CZ 3.57Å; W1844-L1890 HydrophobicContact CG-CD2 4.19Å; W1844-L1911 HydrophobicContact CD2-CD1 4.29Å; W1844-L1911 HydrophobicContact CE3-CD1 4.12Å; W1844-L1911 HydrophobicContact CH2-CB 3.77Å; W1844-L1911 HydrophobicContact CH2-CD1 3.64Å; W1844-L1911 HydrophobicContact CH2-CG 4.22Å; W1844-L1911 HydrophobicContact CZ2-CD1 3.79Å; W1844-L1911 HydrophobicContact CZ3-CB 4Å; W1844-L1911 HydrophobicContact CZ3-CD1 3.8Å; W1844-L1911 HydrophobicContact CZ3-CD2 4.16Å; W1844-L1911 HydrophobicContact CZ3-CG 4.21Å |
| 1845 | L | 81.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.7 | 172.3 | 167.7 | 71.1 | 0 | 0 | 0 | 108.4 | V1792 L1823 L1825 A1836 I1838 V1856 W1857 L1859 | V1792-L1845 HydrophobicContact CG1-CD2 4.38Å; L1823-L1845 HydrophobicContact CD2-CD2 3.89Å; L1825-L1845 HydrophobicContact CD1-CD2 3.83Å; A1836-L1845 HydrophobicContact CB-CD1 4.41Å; I1838-L1845 HydrophobicContact CG1-CD1 4.01Å; L1845-V1856 CarbonylContact O-C 3.59Å; L1845-V1856 WeakPolarHBondContact O-CA 3.25Å; L1845-W1857 HydrophobicContact CB-CB 4.38Å; L1845-W1857 PolarHBondContact N-O 2.92Å; L1845-W1857 PolarHBondContact O-N 2.9Å; L1845-L1859 HydrophobicContact CB-CD1 4.01Å; L1845-L1859 HydrophobicContact CB-CD2 3.78Å; L1845-L1859 HydrophobicContact CB-CG 3.69Å; L1845-L1859 HydrophobicContact CD2-CD2 4.03Å; L1845-L1859 HydrophobicContact CG-CD2 4.48Å |
| 1846 | V | 83.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.6 | 169.9 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | A1836 D1837 A1854 K1855 V1856 V1878 F1880 M1892 | A1836-V1846 CarbonylContact C-O 3.59Å; A1836-V1846 WeakPolarHBondContact CA-O 3.47Å; A1836-V1846 VanDerWaalsContact CB-O 3.29Å; A1836-V1846 WeakPolarHBondContact CB-O 3.25Å; D1837-V1846 PolarHBondContact N-O 3.28Å; D1837-V1846 VanDerWaalsContact N-O 3.07Å; D1837-V1846 PolarHBondContact O-N 3.34Å; V1846-A1854 HydrophobicContact CG1-CB 4.32Å; V1846-K1855 VanDerWaalsContact CA-O 3.31Å; V1846-K1855 WeakPolarHBondContact CA-O 3.48Å; V1846-K1855 WeakPolarHBondContact CG1-O 3.24Å; V1846-V1856 HydrophobicContact CG1-CG2 4.46Å; V1846-V1856 HydrophobicContact CG2-CB 4.29Å; V1846-V1856 HydrophobicContact CG2-CG1 3.99Å; V1846-V1856 HydrophobicContact CG2-CG2 4.05Å; V1846-V1878 HydrophobicContact CB-CG1 3.85Å; V1846-V1878 HydrophobicContact CG1-CG1 3.58Å; V1846-V1878 HydrophobicContact CG1-CG2 4.45Å; V1846-F1880 HydrophobicContact CB-CE2 4.15Å; V1846-F1880 HydrophobicContact CG2-CD2 4.32Å; V1846-F1880 HydrophobicContact CG2-CE1 4.24Å; V1846-F1880 HydrophobicContact CG2-CE2 3.37Å; V1846-F1880 HydrophobicContact CG2-CZ 3.32Å; V1846-M1892 HydrophobicContact CB-SD 4.13Å; V1846-M1892 HydrophobicContact CG1-SD 3.64Å; V1846-M1892 HydrophobicContact CG2-CG 4.27Å; V1846-M1892 HydrophobicContact CG2-SD 3.41Å; V1846-M1892 WeakPolarHBondContact CG2-SD 3.37Å |
| 1847 | T | 86.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.2 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | V1792 A1827 H1828 I1833 A1836 A1854 K1855 W1857 | V1792-T1847 HydrophobicContact CG2-CG2 3.58Å; A1827-T1847 HydrophobicContact CB-CG2 4.23Å; H1828-T1847 PolarHBondContact CD2-OG1 2.82Å; H1828-T1847 VanDerWaalsContact NE2-CB 3.34Å; H1828-T1847 WeakPolarHBondContact NE2-CB 3.33Å; H1828-T1847 PolarHBondContact NE2-O 3.13Å; H1828-T1847 PolarHBondContact NE2-OG1 3.44Å; I1833-T1847 HydrophobicContact CD1-CG2 4.3Å; A1836-T1847 HydrophobicContact CB-CG2 4.48Å; T1847-A1854 CarbonylContact O-C 3.59Å; T1847-A1854 WeakPolarHBondContact O-CA 3.43Å; T1847-K1855 PolarHBondContact N-O 3.36Å; T1847-K1855 PolarHBondContact O-N 2.69Å; T1847-K1855 PolarHBondContact OG1-O 3.42Å; T1847-W1857 PolarHBondContact OG1-NE1 2.86Å |
| 1848 | G | 84 | Confident | 79.3 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 147.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1833 T1834 N1835 | I1833-G1848 WeakPolarHBondContact CA-O 3.42Å; T1834-G1848 PolarHBondContact N-O 3.01Å; T1834-G1848 PolarHBondContact OG1-O 3.03Å; T1834-G1848 VanDerWaalsContact OG1-O 3.1Å; N1835-G1848 PolarHBondContact O-N 3.22Å |
| 1849 | S | 86.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 163.3 | -172 | -177.9 | 0 | 0 | 0 | 0 | 115.6 | H1828 T1832 D1851 K1852 T1853 V1875 | H1828-S1849 WeakPolarHBondContact CB-OG 3.22Å; H1828-S1849 WeakPolarHBondContact ND1-CB 3.38Å; T1832-S1849 VanDerWaalsContact O-CA 3.3Å; T1832-S1849 WeakPolarHBondContact O-CA 3.33Å; T1832-S1849 WeakPolarHBondContact O-CB 3.19Å; T1832-S1849 PolarHBondContact O-OG 3.31Å; S1849-D1851 WeakPolarHBondContact CB-OD1 3.34Å; S1849-D1851 PolarHBondContact O-N 3.03Å; S1849-D1851 PolarHBondContact OG-N 3.49Å; S1849-K1852 PolarHBondContact O-N 3.45Å; S1849-T1853 PolarHBondContact N-O 2.89Å; S1849-V1875 PolarHBondContact O-N 2.95Å; S1849-V1875 VanDerWaalsContact O-N 3.08Å |
| 1850 | T | 84.5 | Confident | 79.1 | Confident | 30 Ų | 30 | 22.4 Ų | 22.4 | 18% | 0.184 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.5 | 164.8 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | T1832 T1834 K1852 C1874 | T1832-T1850 PolarHBondContact N-OG1 3.2Å; T1832-T1850 PolarHBondContact O-N 3.23Å; T1832-T1850 VanDerWaalsContact O-N 3.15Å; T1832-T1850 PolarHBondContact O-OG1 2.93Å; T1832-T1850 WeakPolarHBondContact OG1-CG2 3.44Å; T1832-T1850 PolarHBondContact OG1-OG1 2.98Å; T1834-T1850 HydrophobicContact CG2-CG2 4.02Å; T1850-K1852 PolarHBondContact O-N 3.16Å; T1850-C1874 HydrophobicContact CG2-CB 4.01Å |
| 1851 | D | 83.5 | Confident | 79.2 | Confident | 44 Ų | 44 | 22.9 Ų | 22.9 | 24% | 0.235 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -1 | 165.2 | 79.8 | -3.5 | 0 | 0 | 0 | 113.9 | H1828 M1831 S1849 T1853 K1855 | H1828-D1851 IonicContact CE1-OD1 2.65Å; H1828-D1851 IonicContact CE1-OD2 2.8Å; H1828-D1851 IonicContact CG-OD2 2.91Å; H1828-D1851 IonicContact ND1-OD1 2.91Å; H1828-D1851 PolarHBondContact ND1-OD1 2.84Å; H1828-D1851 VanDerWaalsContact ND1-OD1 3.12Å; H1828-D1851 IonicContact ND1-OD2 3.39Å; H1828-D1851 PolarHBondContact ND1-OD2 3.28Å; M1831-D1851 HydrophobicContact CB-CB 3.86Å; M1831-D1851 HydrophobicContact CG-CB 3.83Å; S1849-D1851 WeakPolarHBondContact CB-OD1 3.34Å; S1849-D1851 PolarHBondContact O-N 3.03Å; S1849-D1851 PolarHBondContact OG-N 3.49Å; D1851-T1853 VanDerWaalsContact C-N 3.27Å; D1851-T1853 PolarHBondContact O-N 3.15Å; D1851-T1853 WeakPolarHBondContact OD1-CA 3.44Å; D1851-T1853 WeakPolarHBondContact OD1-CB 3.48Å; D1851-T1853 PolarHBondContact OD1-N 3.37Å; D1851-T1853 PolarHBondContact OD1-OG1 2.83Å; D1851-T1853 PolarHBondContact OD2-OG1 2.82Å; D1851-T1853 VanDerWaalsContact OD2-OG1 3.08Å; D1851-K1855 IonicContact OD2-NZ 3.47Å; D1851-K1855 PolarHBondContact OD2-NZ 3.39Å |
| 1852 | K | 86.1 | Confident | 79.4 | Confident | 63 Ų | 63 | 22.3 Ų | 22.3 | 27% | 0.274 | 13% | 0.13 | S | C | . | . | S | Bend | trans | 67.9 | 15.7 | -177.4 | -44.6 | -171.3 | 176.8 | -169.3 | 0 | 114.6 | S1849 T1850 H1871 P1872 M1873 | S1849-K1852 PolarHBondContact O-N 3.45Å; T1850-K1852 PolarHBondContact O-N 3.16Å; K1852-H1871 HydrophobicContact CB-CB 4.39Å; K1852-H1871 WeakPolarHBondContact CD-O 3.46Å; K1852-H1871 WeakPolarHBondContact O-CB 3.36Å; K1852-H1871 PolarHBondContact O-N 3.38Å; K1852-P1872 PolarHBondContact NZ-O 3.18Å; K1852-M1873 WeakPolarHBondContact CB-O 3.32Å |
| 1853 | T | 84.4 | Confident | 79.8 | Confident | 15 Ų | 15 | 25.7 Ų | 25.7 | 9% | 0.092 | 14% | 0.144 | C | C | . | . | trans | -110.9 | 162 | 172.2 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | H1828 S1849 D1851 K1855 | H1828-T1853 PolarHBondContact CE1-OG1 3.05Å; H1828-T1853 VanDerWaalsContact CE1-OG1 3.22Å; H1828-T1853 PolarHBondContact ND1-OG1 3.24Å; S1849-T1853 PolarHBondContact N-O 2.89Å; D1851-T1853 VanDerWaalsContact C-N 3.27Å; D1851-T1853 PolarHBondContact O-N 3.15Å; D1851-T1853 WeakPolarHBondContact OD1-CA 3.44Å; D1851-T1853 WeakPolarHBondContact OD1-CB 3.48Å; D1851-T1853 PolarHBondContact OD1-N 3.37Å; D1851-T1853 PolarHBondContact OD1-OG1 2.83Å; D1851-T1853 PolarHBondContact OD2-OG1 2.82Å; D1851-T1853 VanDerWaalsContact OD2-OG1 3.08Å; T1853-K1855 VanDerWaalsContact OG1-CE 3.23Å; T1853-K1855 WeakPolarHBondContact OG1-CE 3.12Å | ||
| 1854 | A | 83.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V1846 T1847 T1868 V1875 T1894 | V1846-A1854 HydrophobicContact CG1-CB 4.32Å; T1847-A1854 CarbonylContact O-C 3.59Å; T1847-A1854 WeakPolarHBondContact O-CA 3.43Å; A1854-T1868 HydrophobicContact CB-CG2 3.93Å; A1854-T1868 PolarHBondContact N-OG1 3.13Å; A1854-T1868 PolarHBondContact O-N 3.43Å; A1854-T1868 PolarHBondContact O-OG1 2.91Å; A1854-V1875 HydrophobicContact CB-CG1 4.47Å; A1854-T1894 HydrophobicContact CB-CG2 3.67Å |
| 1855 | K | 84.6 | Confident | 80.1 | Confident | 29 Ų | 29 | 27.9 Ų | 27.9 | 13% | 0.126 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.1 | -169 | -72.9 | 172.8 | -169 | 151.2 | 0 | 110.5 | A1827 H1828 V1846 T1847 D1851 T1853 W1857 L1864 | A1827-K1855 VanDerWaalsContact O-CD 3.3Å; A1827-K1855 WeakPolarHBondContact O-CD 3.46Å; A1827-K1855 PolarHBondContact O-NZ 3.05Å; H1828-K1855 PolarHBondContact ND1-NZ 3.48Å; V1846-K1855 VanDerWaalsContact CA-O 3.31Å; V1846-K1855 WeakPolarHBondContact CA-O 3.48Å; V1846-K1855 WeakPolarHBondContact CG1-O 3.24Å; T1847-K1855 PolarHBondContact N-O 3.36Å; T1847-K1855 PolarHBondContact O-N 2.69Å; T1847-K1855 PolarHBondContact OG1-O 3.42Å; D1851-K1855 IonicContact OD2-NZ 3.47Å; D1851-K1855 PolarHBondContact OD2-NZ 3.39Å; T1853-K1855 VanDerWaalsContact OG1-CE 3.23Å; T1853-K1855 WeakPolarHBondContact OG1-CE 3.12Å; K1855-W1857 HydrophobicContact CB-CZ2 3.82Å; K1855-W1857 HydrophobicContact CD-CZ2 3.89Å; K1855-W1857 HydrophobicContact CG-CZ2 4.45Å; K1855-W1857 PolarHBondContact O-NE1 2.89Å; K1855-L1864 HydrophobicContact CB-CD1 3.59Å; K1855-L1864 HydrophobicContact CD-CD1 4.35Å; K1855-L1864 HydrophobicContact CG-CD1 3.9Å |
| 1856 | V | 83.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.8 | -177.5 | -167.4 | 0 | 0 | 0 | 0 | 109.2 | W1844 L1845 V1846 A1865 F1866 M1892 L1906 L1911 | W1844-V1856 HydrophobicContact CE3-CG1 4.5Å; L1845-V1856 CarbonylContact O-C 3.59Å; L1845-V1856 WeakPolarHBondContact O-CA 3.25Å; V1846-V1856 HydrophobicContact CG1-CG2 4.46Å; V1846-V1856 HydrophobicContact CG2-CB 4.29Å; V1846-V1856 HydrophobicContact CG2-CG1 3.99Å; V1846-V1856 HydrophobicContact CG2-CG2 4.05Å; V1856-A1865 PolarHBondContact O-N 3.2Å; V1856-F1866 HydrophobicContact CB-CB 3.99Å; V1856-F1866 HydrophobicContact CG2-CB 3.85Å; V1856-F1866 HydrophobicContact CG2-CD1 3.84Å; V1856-F1866 HydrophobicContact CG2-CG 4.35Å; V1856-F1866 PolarHBondContact N-O 3.05Å; V1856-F1866 PolarHBondContact O-N 3.43Å; V1856-M1892 HydrophobicContact CG2-CE 3.99Å; V1856-M1892 HydrophobicContact CG2-SD 3.65Å; V1856-L1906 HydrophobicContact CG1-CD1 4.47Å; V1856-L1906 HydrophobicContact CG2-CD1 4.24Å; V1856-L1911 HydrophobicContact CG1-CD2 4.35Å |
| 1857 | W | 82.1 | Confident | 79.7 | Confident | 26 Ų | 26 | 31.3 Ų | 31.3 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.3 | -173.9 | -51 | 87 | 0 | 0 | 0 | 110.5 | L1825 A1827 L1845 T1847 K1855 L1859 I1863 L1864 | L1825-W1857 HydrophobicContact CD1-CB 4.29Å; L1825-W1857 HydrophobicContact CD1-CD2 4.08Å; L1825-W1857 HydrophobicContact CD1-CE3 4.34Å; L1825-W1857 HydrophobicContact CD1-CG 4.04Å; L1825-W1857 HydrophobicContact CD2-CE3 4.28Å; A1827-W1857 HydrophobicContact CB-CH2 4.38Å; A1827-W1857 HydrophobicContact CB-CZ2 3.54Å; L1845-W1857 HydrophobicContact CB-CB 4.38Å; L1845-W1857 PolarHBondContact N-O 2.92Å; L1845-W1857 PolarHBondContact O-N 2.9Å; T1847-W1857 PolarHBondContact OG1-NE1 2.86Å; K1855-W1857 HydrophobicContact CB-CZ2 3.82Å; K1855-W1857 HydrophobicContact CD-CZ2 3.89Å; K1855-W1857 HydrophobicContact CG-CZ2 4.45Å; K1855-W1857 PolarHBondContact O-NE1 2.89Å; W1857-L1859 PolarHBondContact O-N 2.88Å; W1857-I1863 WeakPolarHBondContact CA-O 3.44Å; W1857-L1864 HydrophobicContact CD2-CD1 4.21Å; W1857-L1864 HydrophobicContact CE3-CB 4.02Å; W1857-L1864 HydrophobicContact CE3-CD1 4.31Å; W1857-L1864 HydrophobicContact CH2-CB 4.33Å; W1857-L1864 HydrophobicContact CH2-CD1 4.12Å; W1857-L1864 HydrophobicContact CZ2-CD1 3.99Å; W1857-L1864 HydrophobicContact CZ3-CB 3.84Å; W1857-L1864 HydrophobicContact CZ3-CD1 4.28Å |
| 1858 | F | 76.4 | Confident | 79 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 102.2 | 170.7 | -171.3 | -117.2 | 0 | 0 | 0 | 109.3 | H1843 W1844 P1860 S1861 G1862 I1863 | H1843-F1858 HydrophobicContact CB-CD2 4.44Å; H1843-F1858 HydrophobicContact CB-CE2 3.98Å; W1844-F1858 HydrophobicContact CD2-CD2 4.22Å; W1844-F1858 HydrophobicContact CE3-CB 4.37Å; W1844-F1858 AromaticContact CE3-CD2 3.82Å; W1844-F1858 HydrophobicContact CE3-CD2 3.82Å; W1844-F1858 AromaticContact CH2-CD2 3.7Å; W1844-F1858 HydrophobicContact CH2-CD2 3.7Å; W1844-F1858 HydrophobicContact CH2-CE2 4.13Å; W1844-F1858 HydrophobicContact CZ2-CD2 4.11Å; W1844-F1858 HydrophobicContact CZ2-CE2 4.21Å; W1844-F1858 HydrophobicContact CZ3-CB 4.07Å; W1844-F1858 AromaticContact CZ3-CD2 3.54Å; W1844-F1858 HydrophobicContact CZ3-CD2 3.54Å; W1844-F1858 HydrophobicContact CZ3-CE2 4.41Å; W1844-F1858 HydrophobicContact CZ3-CG 4.19Å; F1858-P1860 VanDerWaalsContact C-CD 3.41Å; F1858-P1860 VanDerWaalsContact C-N 3.35Å; F1858-P1860 HydrophobicContact CD1-CB 4.37Å; F1858-P1860 HydrophobicContact CD1-CG 4.3Å; F1858-P1860 HydrophobicContact CE1-CB 3.96Å; F1858-P1860 HydrophobicContact CE1-CG 3.84Å; F1858-P1860 HydrophobicContact CE2-CG 4.35Å; F1858-P1860 HydrophobicContact CZ-CB 4.45Å; F1858-P1860 HydrophobicContact CZ-CG 3.87Å; F1858-S1861 PolarHBondContact O-N 3.49Å; F1858-S1861 PolarHBondContact O-OG 3Å; F1858-G1862 PolarHBondContact O-N 3.29Å; F1858-I1863 PolarHBondContact N-O 3.38Å |
| 1859 | L | 72.1 | Confident | 78.4 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -38.7 | -171 | -83.3 | 166 | 0 | 0 | 0 | 115.1 | F1784 L1823 I1838 G1842 H1843 L1845 W1857 S1861 | F1784-L1859 HydrophobicContact CE1-CD2 4.19Å; F1784-L1859 HydrophobicContact CZ-CD2 4.31Å; L1823-L1859 HydrophobicContact CD1-CD2 3.94Å; L1823-L1859 HydrophobicContact CD2-CD2 3.74Å; I1838-L1859 HydrophobicContact CG2-CD1 4.1Å; G1842-L1859 WeakPolarHBondContact O-CD1 3.49Å; H1843-L1859 WeakPolarHBondContact O-CB 3.44Å; H1843-L1859 PolarHBondContact O-N 3.46Å; L1845-L1859 HydrophobicContact CB-CD1 4.01Å; L1845-L1859 HydrophobicContact CB-CD2 3.78Å; L1845-L1859 HydrophobicContact CB-CG 3.69Å; L1845-L1859 HydrophobicContact CD2-CD2 4.03Å; L1845-L1859 HydrophobicContact CG-CD2 4.48Å; W1857-L1859 PolarHBondContact O-N 2.88Å; L1859-S1861 VanDerWaalsContact C-N 3.25Å; L1859-S1861 PolarHBondContact O-N 3.16Å |
| 1860 | P | 67.8 | Low | 77.8 | Confident | 89 Ų | 89 | 40.1 Ų | 40.1 | 58% | 0.578 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.8 | 179.4 | -24.5 | 35.9 | 0 | 0 | 0 | 115.5 | F1858 | F1858-P1860 VanDerWaalsContact C-CD 3.41Å; F1858-P1860 VanDerWaalsContact C-N 3.35Å; F1858-P1860 HydrophobicContact CD1-CB 4.37Å; F1858-P1860 HydrophobicContact CD1-CG 4.3Å; F1858-P1860 HydrophobicContact CE1-CB 3.96Å; F1858-P1860 HydrophobicContact CE1-CG 3.84Å; F1858-P1860 HydrophobicContact CE2-CG 4.35Å; F1858-P1860 HydrophobicContact CZ-CB 4.45Å; F1858-P1860 HydrophobicContact CZ-CG 3.87Å |
| 1861 | S | 68.2 | Low | 77.2 | Confident | 61 Ų | 61 | 38.8 Ų | 38.8 | 43% | 0.427 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -16.3 | -178.5 | 66.4 | 0 | 0 | 0 | 0 | 114.5 | F1858 L1859 I1863 | F1858-S1861 PolarHBondContact O-N 3.49Å; F1858-S1861 PolarHBondContact O-OG 3Å; L1859-S1861 VanDerWaalsContact C-N 3.25Å; L1859-S1861 PolarHBondContact O-N 3.16Å; S1861-I1863 PolarHBondContact O-N 3.4Å; S1861-I1863 WeakPolarHBondContact OG-CB 3.34Å; S1861-I1863 WeakPolarHBondContact OG-CG1 3.47Å; S1861-I1863 PolarHBondContact OG-N 3.23Å |
| 1862 | G | 70.6 | Confident | 76.7 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 11.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1858 | F1858-G1862 PolarHBondContact O-N 3.29Š|
| 1863 | I | 75.9 | Confident | 76.5 | Confident | 82 Ų | 82 | 40.9 Ų | 40.9 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 134.9 | -178 | -63.1 | 171.6 | 0 | 0 | 0 | 110.2 | W1857 F1858 S1861 A1865 I1915 | W1857-I1863 WeakPolarHBondContact CA-O 3.44Å; F1858-I1863 PolarHBondContact N-O 3.38Å; S1861-I1863 PolarHBondContact O-N 3.4Å; S1861-I1863 WeakPolarHBondContact OG-CB 3.34Å; S1861-I1863 WeakPolarHBondContact OG-CG1 3.47Å; S1861-I1863 PolarHBondContact OG-N 3.23Å; I1863-A1865 PolarHBondContact O-N 2.93Å; I1863-I1915 HydrophobicContact CG2-CG1 4.5Å |
| 1864 | L | 81.2 | Confident | 76.4 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 38% | 0.377 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 115.5 | 168.1 | -176.1 | 71.3 | 0 | 0 | 0 | 109.4 | K1855 W1857 F1866 | K1855-L1864 HydrophobicContact CB-CD1 3.59Å; K1855-L1864 HydrophobicContact CD-CD1 4.35Å; K1855-L1864 HydrophobicContact CG-CD1 3.9Å; W1857-L1864 HydrophobicContact CD2-CD1 4.21Å; W1857-L1864 HydrophobicContact CE3-CB 4.02Å; W1857-L1864 HydrophobicContact CE3-CD1 4.31Å; W1857-L1864 HydrophobicContact CH2-CB 4.33Å; W1857-L1864 HydrophobicContact CH2-CD1 4.12Å; W1857-L1864 HydrophobicContact CZ2-CD1 3.99Å; W1857-L1864 HydrophobicContact CZ3-CB 3.84Å; W1857-L1864 HydrophobicContact CZ3-CD1 4.28Å; L1864-F1866 WeakPolarHBondContact CD1-O 3.45Å |
| 1865 | A | 76.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -22.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1844 V1856 I1863 L1911 Q1914 I1915 | W1844-A1865 HydrophobicContact CZ3-CB 3.95Å; V1856-A1865 PolarHBondContact O-N 3.2Å; I1863-A1865 PolarHBondContact O-N 2.93Å; A1865-L1911 HydrophobicContact CB-CD2 3.92Å; A1865-Q1914 PolarHBondContact O-OE1 2.78Å; A1865-I1915 HydrophobicContact CB-CD1 4.28Å |
| 1866 | F | 76.6 | Confident | 76.2 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 151.1 | 174 | -178.9 | -116.3 | 0 | 0 | 0 | 111.3 | V1856 L1864 T1868 M1892 W1904 L1906 L1911 P1979 | V1856-F1866 HydrophobicContact CB-CB 3.99Å; V1856-F1866 HydrophobicContact CG2-CB 3.85Å; V1856-F1866 HydrophobicContact CG2-CD1 3.84Å; V1856-F1866 HydrophobicContact CG2-CG 4.35Å; V1856-F1866 PolarHBondContact N-O 3.05Å; V1856-F1866 PolarHBondContact O-N 3.43Å; L1864-F1866 WeakPolarHBondContact CD1-O 3.45Å; F1866-T1868 HydrophobicContact CE1-CG2 4.01Å; F1866-M1892 HydrophobicContact CD1-CE 4.48Å; F1866-W1904 HydrophobicContact CE1-CD2 4.18Å; F1866-W1904 AromaticContact CE1-CE3 3.75Å; F1866-W1904 HydrophobicContact CE1-CE3 3.75Å; F1866-W1904 HydrophobicContact CE1-CZ3 4.21Å; F1866-W1904 AromaticContact CZ-CE3 3.81Å; F1866-W1904 HydrophobicContact CZ-CE3 3.81Å; F1866-W1904 AromaticContact CZ-CZ3 3.96Å; F1866-W1904 HydrophobicContact CZ-CZ3 3.96Å; F1866-L1906 HydrophobicContact CD1-CD2 3.6Å; F1866-L1906 HydrophobicContact CE1-CD2 3.93Å; F1866-L1906 HydrophobicContact CG-CD2 4.05Å; F1866-L1911 HydrophobicContact CB-CD2 4.06Å; F1866-P1979 HydrophobicContact CE2-CG 3.53Å; F1866-P1979 HydrophobicContact CZ-CG 3.62Å |
| 1867 | D | 79.2 | Confident | 75.9 | Confident | 56 Ų | 56 | 44 Ų | 44 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.8 | 172.1 | -172.3 | -37.8 | 0 | 0 | 0 | 107.9 | G1869 | D1867-G1869 PolarHBondContact O-N 3.03Å; D1867-G1869 WeakPolarHBondContact OD1-CA 3.35Å; D1867-G1869 PolarHBondContact OD1-N 3.35Å |
| 1868 | T | 72.1 | Confident | 76 | Confident | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | trans | -69.9 | -10.9 | -179.9 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | A1854 F1866 M1892 T1894 W1904 | A1854-T1868 HydrophobicContact CB-CG2 3.93Å; A1854-T1868 PolarHBondContact N-OG1 3.13Å; A1854-T1868 PolarHBondContact O-N 3.43Å; A1854-T1868 PolarHBondContact O-OG1 2.91Å; F1866-T1868 HydrophobicContact CE1-CG2 4.01Å; T1868-M1892 HydrophobicContact CG2-CE 3.5Å; T1868-T1894 HydrophobicContact CG2-CG2 4.35Å; T1868-W1904 HydrophobicContact CG2-CD2 3.94Å; T1868-W1904 VanDerWaalsContact CG2-CE2 3.44Å; T1868-W1904 HydrophobicContact CG2-CE3 4.49Å; T1868-W1904 HydrophobicContact CG2-CG 4.42Å; T1868-W1904 HydrophobicContact CG2-CH2 4.2Å; T1868-W1904 HydrophobicContact CG2-CZ2 3.6Å; T1868-W1904 VanDerWaalsContact O-CH2 3.23Å; T1868-W1904 WeakPolarHBondContact O-CH2 3.49Å | ||
| 1869 | G | 72.3 | Confident | 76.1 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | trans | 66.8 | -178.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1867 H1871 | D1867-G1869 PolarHBondContact O-N 3.03Å; D1867-G1869 WeakPolarHBondContact OD1-CA 3.35Å; D1867-G1869 PolarHBondContact OD1-N 3.35Å; G1869-H1871 PolarHBondContact O-N 3.34Å | ||
| 1870 | M | 73.2 | Confident | 76.4 | Confident | 143 Ų | 143 | 41.1 Ų | 41.1 | 70% | 0.704 | 24% | 0.235 | S | C | * | . | trans | -64.3 | 120.9 | -174.4 | -69.9 | 175.4 | 66 | 0 | 0 | 112.5 | R1902 | M1870-R1902 PolarHBondContact O-NH1 2.92Å; M1870-R1902 VanDerWaalsContact O-NH1 3.1Å; M1870-R1902 PolarHBondContact O-NH2 2.82Å | ||
| 1871 | H | 71.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -68.9 | 155.7 | 154.3 | -79.3 | -109.3 | 0 | 0 | 0 | 110.4 | K1852 G1869 M1873 V1875 T1894 D1896 R1902 | K1852-H1871 HydrophobicContact CB-CB 4.39Å; K1852-H1871 WeakPolarHBondContact CD-O 3.46Å; K1852-H1871 WeakPolarHBondContact O-CB 3.36Å; K1852-H1871 PolarHBondContact O-N 3.38Å; G1869-H1871 PolarHBondContact O-N 3.34Å; H1871-M1873 VanDerWaalsContact CB-O 3.28Å; H1871-M1873 WeakPolarHBondContact CB-O 3.5Å; H1871-M1873 PolarHBondContact O-N 3.36Å; H1871-V1875 HydrophobicContact CB-CG2 4.05Å; H1871-T1894 PolarHBondContact CE1-OG1 3.22Å; H1871-T1894 VanDerWaalsContact CE1-OG1 3.31Å; H1871-T1894 PolarHBondContact NE2-OG1 3.16Å; H1871-D1896 HydrophobicContact CB-CB 4.3Å; H1871-D1896 IonicContact CE1-OD2 3.77Å; H1871-D1896 IonicContact CG-OD2 2.7Å; H1871-D1896 IonicContact ND1-OD2 3.7Å; H1871-D1896 PolarHBondContact ND1-OD2 3.48Å; H1871-R1902 PolarHBondContact CD2-NH1 3.35Å; H1871-R1902 VanDerWaalsContact CD2-NH1 3.28Å; H1871-R1902 VanDerWaalsContact CE1-CD 3.46Å; H1871-R1902 WeakPolarHBondContact CE1-CD 3.41Å | ||
| 1872 | P | 73.7 | Confident | 76.6 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 39% | 0.39 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -58.5 | -37.1 | 173.2 | 23.9 | -34.4 | 0 | 0 | 0 | 112 | K1852 D1896 T1900 | K1852-P1872 PolarHBondContact NZ-O 3.18Å; P1872-D1896 WeakPolarHBondContact CD-OD2 3.34Å; P1872-T1900 HydrophobicContact CG-CG2 3.95Å |
| 1873 | M | 80.2 | Confident | 76.1 | Confident | 90 Ų | 90 | 40.4 Ų | 40.4 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -135 | -176.1 | -179.5 | -58.8 | -60.1 | 168.2 | 0 | 0 | 111.6 | K1852 H1871 V1875 D1897 | K1852-M1873 WeakPolarHBondContact CB-O 3.32Å; H1871-M1873 VanDerWaalsContact CB-O 3.28Å; H1871-M1873 WeakPolarHBondContact CB-O 3.5Å; H1871-M1873 PolarHBondContact O-N 3.36Å; M1873-V1875 PolarHBondContact O-N 3.18Å; M1873-D1897 HydrophobicContact CB-CB 3.6Å; M1873-D1897 HydrophobicContact CG-CB 4.46Å |
| 1874 | C | 83 | Confident | 75 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | trans | -57.2 | 129.1 | -178.8 | -46.5 | 0 | 0 | 0 | 0 | 110.9 | T1850 R1876 D1896 D1897 | T1850-C1874 HydrophobicContact CG2-CB 4.01Å; C1874-R1876 PolarHBondContact O-N 3.09Å; C1874-D1896 CarbonylContact O-C 3.6Å; C1874-D1896 WeakPolarHBondContact O-CA 3.3Å; C1874-D1896 WeakPolarHBondContact O-CB 3.45Å; C1874-D1897 HydrophobicContact CB-CB 4.39Å; C1874-D1897 VanDerWaalsContact CB-OD2 3.3Å; C1874-D1897 WeakPolarHBondContact CB-OD2 3.19Å; C1874-D1897 PolarHBondContact O-N 3.39Å; C1874-D1897 PolarHBondContact SG-OD2 3.09Å; C1874-D1897 VanDerWaalsContact SG-OD2 3.35Å | ||
| 1875 | V | 84.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 124.5 | 168 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | T1834 S1849 A1854 H1871 M1873 V1878 | T1834-V1875 WeakPolarHBondContact CB-O 3.3Å; T1834-V1875 VanDerWaalsContact CG2-O 3.31Å; T1834-V1875 WeakPolarHBondContact CG2-O 3.39Å; T1834-V1875 PolarHBondContact OG1-O 3.3Å; S1849-V1875 PolarHBondContact O-N 2.95Å; S1849-V1875 VanDerWaalsContact O-N 3.08Å; A1854-V1875 HydrophobicContact CB-CG1 4.47Å; H1871-V1875 HydrophobicContact CB-CG2 4.05Å; M1873-V1875 PolarHBondContact O-N 3.18Å; V1875-V1878 HydrophobicContact CG1-CG2 4.06Å |
| 1876 | R | 80.4 | Confident | 71.6 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -32.5 | -179.3 | -75 | -66.1 | 179.3 | 177.7 | -3.5 | 113.1 | N1835 C1874 G1895 D1897 L1993 | N1835-R1876 WeakPolarHBondContact CB-O 2.98Å; C1874-R1876 PolarHBondContact O-N 3.09Å; R1876-G1895 PolarHBondContact N-O 3.23Å; R1876-D1897 WeakPolarHBondContact CD-OD1 3.45Å; R1876-D1897 WeakPolarHBondContact CG-OD1 3.4Å; R1876-D1897 IonicContact CZ-OD1 3.76Å; R1876-D1897 IonicContact CZ-OD2 3.62Å; R1876-D1897 VanDerWaalsContact NE-CG 3.25Å; R1876-D1897 IonicContact NE-OD1 2.78Å; R1876-D1897 PolarHBondContact NE-OD1 3.44Å; R1876-D1897 IonicContact NE-OD2 3.81Å; R1876-D1897 PolarHBondContact NE-OD2 3.48Å; R1876-D1897 VanDerWaalsContact NE-OD2 3.12Å; R1876-D1897 IonicContact NH2-OD1 2.68Å; R1876-D1897 PolarHBondContact NH2-OD1 3.35Å; R1876-D1897 IonicContact NH2-OD2 2.79Å; R1876-D1897 PolarHBondContact NH2-OD2 3.09Å; R1876-L1993 VanDerWaalsContact CB-O 3.23Å; R1876-L1993 WeakPolarHBondContact CB-O 3.46Å |
| 1877 | S | 77.5 | Confident | 70.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.1 | -179.3 | -164.7 | 0 | 0 | 0 | 0 | 112.6 | N1835 T1894 G1895 L1996 | N1835-S1877 PolarHBondContact ND2-OG 3.08Å; S1877-T1894 WeakPolarHBondContact O-CA 3.39Å; S1877-G1895 PolarHBondContact N-O 3.25Å; S1877-G1895 PolarHBondContact O-N 2.95Å; S1877-L1996 PolarHBondContact OG-N 3.33Å |
| 1878 | V | 84 | Confident | 69.1 | Low | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.8 | 174.5 | -171 | 0 | 0 | 0 | 0 | 108.3 | V1846 V1875 M1892 V1893 T1894 | V1846-V1878 HydrophobicContact CB-CG1 3.85Å; V1846-V1878 HydrophobicContact CG1-CG1 3.58Å; V1846-V1878 HydrophobicContact CG1-CG2 4.45Å; V1875-V1878 HydrophobicContact CG1-CG2 4.06Å; V1878-M1892 HydrophobicContact CG1-CG 4.29Å; V1878-V1893 CarbonylContact C-O 3.52Å; V1878-V1893 VanDerWaalsContact CA-O 3.26Å; V1878-V1893 WeakPolarHBondContact CA-O 3.48Å; V1878-V1893 WeakPolarHBondContact CG1-O 3.48Å; V1878-T1894 HydrophobicContact CG1-CG2 4.18Å; V1878-T1894 HydrophobicContact CG2-CG2 4.27Å |
| 1879 | A | 78 | Confident | 68.6 | Low | 4 Ų | 4 | 57.9 Ų | 57.9 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 137.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1837 V1893 L1996 | D1837-A1879 WeakPolarHBondContact OD2-CA 3.29Å; A1879-V1893 PolarHBondContact N-O 3.4Å; A1879-V1893 PolarHBondContact O-N 2.76Å; A1879-L1996 HydrophobicContact CB-CB 4.19Å |
| 1880 | F | 79.1 | Confident | 68.4 | Low | 9 Ų | 9 | 57.3 Ų | 57.3 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 145.1 | 167.9 | -81.9 | -81.5 | 0 | 0 | 0 | 111.3 | D1837 I1838 G1839 W1844 V1846 L1890 W1998 | D1837-F1880 HydrophobicContact CB-CD2 4.19Å; D1837-F1880 PolarHBondContact OD2-N 3.06Å; I1838-F1880 VanDerWaalsContact C-CD2 3.43Å; G1839-F1880 VanDerWaalsContact CA-CD2 3.48Å; G1839-F1880 VanDerWaalsContact CA-CG 3.45Å; W1844-F1880 HydrophobicContact CB-CE1 4.08Å; W1844-F1880 HydrophobicContact CB-CE2 4.44Å; W1844-F1880 HydrophobicContact CB-CZ 3.57Å; V1846-F1880 HydrophobicContact CB-CE2 4.15Å; V1846-F1880 HydrophobicContact CG2-CD2 4.32Å; V1846-F1880 HydrophobicContact CG2-CE1 4.24Å; V1846-F1880 HydrophobicContact CG2-CE2 3.37Å; V1846-F1880 HydrophobicContact CG2-CZ 3.32Å; F1880-L1890 HydrophobicContact CE1-CD2 4.31Å; F1880-W1998 VanDerWaalsContact C-CD1 3.43Å; F1880-W1998 VanDerWaalsContact C-NE1 3.34Å; F1880-W1998 PolarHBondContact O-NE1 3.27Å |
| 1881 | Q | 73.2 | Confident | 68.4 | Low | 43 Ų | 43 | 51.6 Ų | 51.6 | 20% | 0.201 | 28% | 0.282 | C | S | . | . | trans | -66.4 | 135 | 170.2 | -163.5 | 179.6 | 17.5 | 0 | 0 | 110.3 | P1840 I1891 W1998 G2002 | P1840-Q1881 WeakPolarHBondContact CD-O 3.25Å; P1840-Q1881 WeakPolarHBondContact CG-O 3.31Å; Q1881-I1891 HydrophobicContact CB-CB 4.33Å; Q1881-I1891 PolarHBondContact N-O 3.5Å; Q1881-W1998 HydrophobicContact CB-CD2 4.32Å; Q1881-W1998 HydrophobicContact CB-CH2 4.25Å; Q1881-W1998 HydrophobicContact CB-CZ2 3.86Å; Q1881-W1998 HydrophobicContact CG-CD2 4.21Å; Q1881-W1998 HydrophobicContact CG-CE3 4.11Å; Q1881-W1998 HydrophobicContact CG-CH2 3.99Å; Q1881-W1998 HydrophobicContact CG-CZ2 4.1Å; Q1881-W1998 HydrophobicContact CG-CZ3 4.01Å; Q1881-G2002 PolarHBondContact NE2-O 2.95Å | ||
| 1882 | P | 65.9 | Low | 68.7 | Low | 55 Ų | 55 | 51.4 Ų | 51.4 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -84 | -24.6 | -171.7 | 29.4 | -33.9 | 0 | 0 | 0 | 114.9 | P1840 W1998 S1999 | P1840-P1882 WeakPolarHBondContact CB-O 3.36Å; P1882-W1998 HydrophobicContact CG-CB 4.17Å; P1882-S1999 VanDerWaalsContact CG-O 3.23Å; P1882-S1999 WeakPolarHBondContact CG-O 3.37Å |
| 1883 | V | 61.1 | Low | 69 | Low | 60 Ų | 60 | 48.6 Ų | 48.6 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | trans | -100.5 | 141.4 | 179 | 178 | 0 | 0 | 0 | 0 | 109.9 | E1885 D2001 | V1883-E1885 HydrophobicContact CG1-CG 4.39Å; V1883-D2001 WeakPolarHBondContact CG2-O 3.45Å | ||
| 1884 | V | 52.5 | Low | 69.1 | Low | 84 Ų | 84 | 44.3 Ų | 44.3 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | trans | -114.7 | 97.5 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | P1840 L1886 | P1840-V1884 HydrophobicContact CB-CG2 4.1Å; P1840-V1884 HydrophobicContact CG-CG2 3.48Å; P1840-V1884 VanDerWaalsContact CG-CG2 3.48Å; V1884-L1886 VanDerWaalsContact C-N 3.33Å; V1884-L1886 PolarHBondContact O-N 3.21Å | ||
| 1885 | E | 45.6 | Very low | 68.9 | Low | 120 Ų | 120 | 43 Ų | 43 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | trans | -74.1 | 82.5 | 174.7 | -68.6 | -166.7 | 151.7 | 0 | 0 | 111 | V1883 G1887 S2019 | V1883-E1885 HydrophobicContact CG1-CG 4.39Å; E1885-G1887 PolarHBondContact O-N 3.4Å; E1885-S2019 PolarHBondContact OE2-OG 3.15Å | ||
| 1886 | L | 40.5 | Very low | 68.7 | Low | 190 Ų | 190 | 43 Ų | 43 | 100% | 0.995 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 52 | 6.3 | 158.6 | -86.3 | 161.2 | 0 | 0 | 0 | 119.7 | V1884 | V1884-L1886 VanDerWaalsContact C-N 3.33Å; V1884-L1886 PolarHBondContact O-N 3.21Å |
| 1887 | G | 47.1 | Very low | 68.5 | Low | 42 Ų | 42 | 40.1 Ų | 40.1 | 43% | 0.433 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -123.2 | 165.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1885 E1889 | E1885-G1887 PolarHBondContact O-N 3.4Å; G1887-E1889 PolarHBondContact O-N 3.2Å |
| 1888 | D | 55.4 | Low | 68.1 | Low | 99 Ų | 99 | 41.9 Ų | 41.9 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -77 | 30.4 | -172.7 | -119.4 | -44.2 | 0 | 0 | 0 | 114.2 | T1908 | D1888-T1908 PolarHBondContact O-N 3.13Å; D1888-T1908 PolarHBondContact O-OG1 3.49Å; D1888-T1908 WeakPolarHBondContact OD1-CB 3.26Å; D1888-T1908 WeakPolarHBondContact OD1-CG2 3.42Å; D1888-T1908 PolarHBondContact OD1-OG1 2.61Å |
| 1889 | E | 61.6 | Low | 67.3 | Low | 68 Ų | 68 | 41.9 Ų | 41.9 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.7 | -163.3 | -47.5 | -157.2 | 156.3 | 0 | 0 | 112.8 | G1887 R1905 T1907 | G1887-E1889 PolarHBondContact O-N 3.2Å; E1889-R1905 IonicContact OE1-CZ 2.76Å; E1889-R1905 IonicContact OE1-NE 3.38Å; E1889-R1905 PolarHBondContact OE1-NE 3.03Å; E1889-R1905 IonicContact OE1-NH2 2.69Å; E1889-R1905 PolarHBondContact OE1-NH2 2.81Å; E1889-R1905 IonicContact OE2-CZ 3.89Å; E1889-R1905 IonicContact OE2-NE 2.71Å; E1889-R1905 PolarHBondContact OE2-NE 3.12Å; E1889-R1905 IonicContact OE2-NH2 3.01Å; E1889-R1905 PolarHBondContact OE2-NH2 3.19Å; E1889-T1907 HydrophobicContact CG-CG2 4.06Å |
| 1890 | L | 68.3 | Low | 66.8 | Low | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.7 | 171.4 | -69 | 109.6 | 0 | 0 | 0 | 110.6 | W1844 F1880 L1906 T1908 L1911 | W1844-L1890 HydrophobicContact CG-CD2 4.19Å; F1880-L1890 HydrophobicContact CE1-CD2 4.31Å; L1890-L1906 HydrophobicContact CB-CB 4.34Å; L1890-L1906 PolarHBondContact N-O 3.31Å; L1890-L1906 WeakPolarHBondContact O-CA 3.39Å; L1890-L1906 WeakPolarHBondContact O-CB 2.97Å; L1890-L1906 PolarHBondContact O-N 2.95Å; L1890-T1908 HydrophobicContact CD1-CG2 4.43Å; L1890-L1911 HydrophobicContact CD1-CD1 4.27Å |
| 1891 | I | 73.2 | Confident | 66.6 | Low | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.3 | 177.1 | -57.4 | -173.1 | 0 | 0 | 0 | 109.6 | Q1881 V1903 W1998 F2061 | Q1881-I1891 HydrophobicContact CB-CB 4.33Å; Q1881-I1891 PolarHBondContact N-O 3.5Å; I1891-V1903 HydrophobicContact CG2-CG1 4.05Å; I1891-W1998 HydrophobicContact CG2-CZ2 4.3Å; I1891-F2061 HydrophobicContact CD1-CZ 4.38Å |
| 1892 | M | 79.4 | Confident | 66.5 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.5 | -176.5 | 176.8 | -172.6 | 80.4 | 0 | 0 | 110 | V1846 V1856 F1866 T1868 V1878 T1894 W1904 L1906 | V1846-M1892 HydrophobicContact CB-SD 4.13Å; V1846-M1892 HydrophobicContact CG1-SD 3.64Å; V1846-M1892 HydrophobicContact CG2-CG 4.27Å; V1846-M1892 HydrophobicContact CG2-SD 3.41Å; V1846-M1892 WeakPolarHBondContact CG2-SD 3.37Å; V1856-M1892 HydrophobicContact CG2-CE 3.99Å; V1856-M1892 HydrophobicContact CG2-SD 3.65Å; F1866-M1892 HydrophobicContact CD1-CE 4.48Å; T1868-M1892 HydrophobicContact CG2-CE 3.5Å; V1878-M1892 HydrophobicContact CG1-CG 4.29Å; M1892-T1894 HydrophobicContact CE-CG2 4.28Å; M1892-W1904 HydrophobicContact CB-CB 4.37Å; M1892-W1904 HydrophobicContact CE-CB 3.88Å; M1892-W1904 HydrophobicContact CE-CD2 4.29Å; M1892-W1904 HydrophobicContact CE-CG 3.55Å; M1892-W1904 PolarHBondContact N-O 2.92Å; M1892-W1904 VanDerWaalsContact N-O 3.15Å; M1892-W1904 PolarHBondContact O-N 3.16Å; M1892-L1906 HydrophobicContact CB-CD1 3.9Å; M1892-L1906 HydrophobicContact CE-CD1 4.3Å; M1892-L1906 HydrophobicContact SD-CD1 4.04Å |
| 1893 | V | 79.2 | Confident | 67 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.2 | 179.3 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | V1878 A1879 L1901 V1903 L1996 W1998 L2005 | V1878-V1893 CarbonylContact C-O 3.52Å; V1878-V1893 VanDerWaalsContact CA-O 3.26Å; V1878-V1893 WeakPolarHBondContact CA-O 3.48Å; V1878-V1893 WeakPolarHBondContact CG1-O 3.48Å; A1879-V1893 PolarHBondContact N-O 3.4Å; A1879-V1893 PolarHBondContact O-N 2.76Å; V1893-L1901 HydrophobicContact CG1-CD1 4.33Å; V1893-L1901 HydrophobicContact CG1-CD2 3.38Å; V1893-L1901 HydrophobicContact CG1-CG 3.76Å; V1893-V1903 HydrophobicContact CG1-CG2 4.08Å; V1893-V1903 HydrophobicContact CG2-CG1 4.42Å; V1893-V1903 HydrophobicContact CG2-CG2 4.22Å; V1893-L1996 HydrophobicContact CB-CD1 4.48Å; V1893-L1996 HydrophobicContact CG1-CD1 3.94Å; V1893-W1998 HydrophobicContact CG2-CZ2 3.53Å; V1893-L2005 HydrophobicContact CB-CD2 4.33Å; V1893-L2005 HydrophobicContact CG1-CD2 3.73Å; V1893-L2005 HydrophobicContact CG2-CD1 4.47Å; V1893-L2005 HydrophobicContact CG2-CD2 4.14Å |
| 1894 | T | 83.1 | Confident | 67.6 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.5 | -178.5 | 50.7 | 0 | 0 | 0 | 0 | 110.4 | A1854 T1868 H1871 S1877 V1878 M1892 L1901 R1902 W1904 | A1854-T1894 HydrophobicContact CB-CG2 3.67Å; T1868-T1894 HydrophobicContact CG2-CG2 4.35Å; H1871-T1894 PolarHBondContact CE1-OG1 3.22Å; H1871-T1894 VanDerWaalsContact CE1-OG1 3.31Å; H1871-T1894 PolarHBondContact NE2-OG1 3.16Å; S1877-T1894 WeakPolarHBondContact O-CA 3.39Å; V1878-T1894 HydrophobicContact CG1-CG2 4.18Å; V1878-T1894 HydrophobicContact CG2-CG2 4.27Å; M1892-T1894 HydrophobicContact CE-CG2 4.28Å; T1894-L1901 WeakPolarHBondContact O-CA 3.1Å; T1894-R1902 PolarHBondContact N-O 3.1Å; T1894-R1902 PolarHBondContact O-N 2.83Å; T1894-R1902 PolarHBondContact OG1-O 2.86Å; T1894-W1904 PolarHBondContact OG1-NE1 3.27Å |
| 1895 | G | 78 | Confident | 68.2 | Low | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1876 S1877 T1900 | R1876-G1895 PolarHBondContact N-O 3.23Å; S1877-G1895 PolarHBondContact N-O 3.25Å; S1877-G1895 PolarHBondContact O-N 2.95Å; G1895-T1900 WeakPolarHBondContact CA-O 3.15Å |
| 1896 | D | 79.4 | Confident | 69.2 | Low | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 169.4 | -175.1 | 64.9 | 44.8 | 0 | 0 | 0 | 115.8 | H1871 P1872 C1874 G1898 G1899 T1900 | H1871-D1896 HydrophobicContact CB-CB 4.3Å; H1871-D1896 IonicContact CE1-OD2 3.77Å; H1871-D1896 IonicContact CG-OD2 2.7Å; H1871-D1896 IonicContact ND1-OD2 3.7Å; H1871-D1896 PolarHBondContact ND1-OD2 3.48Å; P1872-D1896 WeakPolarHBondContact CD-OD2 3.34Å; C1874-D1896 CarbonylContact O-C 3.6Å; C1874-D1896 WeakPolarHBondContact O-CA 3.3Å; C1874-D1896 WeakPolarHBondContact O-CB 3.45Å; D1896-G1898 PolarHBondContact O-N 3.43Å; D1896-G1898 VanDerWaalsContact O-N 3.14Å; D1896-G1898 VanDerWaalsContact OD1-CA 3.24Å; D1896-G1898 WeakPolarHBondContact OD1-CA 3.48Å; D1896-G1898 PolarHBondContact OD1-N 3.34Å; D1896-G1899 PolarHBondContact O-N 2.89Å; D1896-G1899 PolarHBondContact OD1-N 3.29Å; D1896-T1900 PolarHBondContact N-O 3.44Å; D1896-T1900 VanDerWaalsContact N-O 3.08Å; D1896-T1900 PolarHBondContact OD1-N 3.12Å; D1896-T1900 PolarHBondContact OD1-OG1 3.5Å; D1896-T1900 PolarHBondContact OD2-OG1 3.24Å |
| 1897 | D | 77 | Confident | 70.3 | Confident | 25 Ų | 25 | 24.6 Ų | 24.6 | 13% | 0.134 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15 | 174.4 | -88.6 | -12.7 | 0 | 0 | 0 | 114 | M1873 C1874 R1876 W1992 | M1873-D1897 HydrophobicContact CB-CB 3.6Å; M1873-D1897 HydrophobicContact CG-CB 4.46Å; C1874-D1897 HydrophobicContact CB-CB 4.39Å; C1874-D1897 VanDerWaalsContact CB-OD2 3.3Å; C1874-D1897 WeakPolarHBondContact CB-OD2 3.19Å; C1874-D1897 PolarHBondContact O-N 3.39Å; C1874-D1897 PolarHBondContact SG-OD2 3.09Å; C1874-D1897 VanDerWaalsContact SG-OD2 3.35Å; R1876-D1897 WeakPolarHBondContact CD-OD1 3.45Å; R1876-D1897 WeakPolarHBondContact CG-OD1 3.4Å; R1876-D1897 IonicContact CZ-OD1 3.76Å; R1876-D1897 IonicContact CZ-OD2 3.62Å; R1876-D1897 VanDerWaalsContact NE-CG 3.25Å; R1876-D1897 IonicContact NE-OD1 2.78Å; R1876-D1897 PolarHBondContact NE-OD1 3.44Å; R1876-D1897 IonicContact NE-OD2 3.81Å; R1876-D1897 PolarHBondContact NE-OD2 3.48Å; R1876-D1897 VanDerWaalsContact NE-OD2 3.12Å; R1876-D1897 IonicContact NH2-OD1 2.68Å; R1876-D1897 PolarHBondContact NH2-OD1 3.35Å; R1876-D1897 IonicContact NH2-OD2 2.79Å; R1876-D1897 PolarHBondContact NH2-OD2 3.09Å; D1897-W1992 VanDerWaalsContact O-CD1 3.31Å |
| 1898 | G | 68.3 | Low | 70.8 | Confident | 36 Ų | 36 | 23 Ų | 23 | 37% | 0.371 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 3.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1896 T1900 | D1896-G1898 PolarHBondContact O-N 3.43Å; D1896-G1898 VanDerWaalsContact O-N 3.14Å; D1896-G1898 VanDerWaalsContact OD1-CA 3.24Å; D1896-G1898 WeakPolarHBondContact OD1-CA 3.48Å; D1896-G1898 PolarHBondContact OD1-N 3.34Å; G1898-T1900 PolarHBondContact O-N 2.96Å |
| 1899 | G | 68.1 | Low | 70.9 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 71.8 | 7.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1896 G1987 | D1896-G1899 PolarHBondContact O-N 2.89Å; D1896-G1899 PolarHBondContact OD1-N 3.29Å; G1899-G1987 PolarHBondContact O-N 3.5Å |
| 1900 | T | 67.2 | Low | 70.7 | Confident | 36 Ų | 36 | 25.5 Ų | 25.5 | 22% | 0.221 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.3 | -176.6 | 95.9 | 0 | 0 | 0 | 0 | 110.7 | P1872 G1895 D1896 G1898 | P1872-T1900 HydrophobicContact CG-CG2 3.95Å; G1895-T1900 WeakPolarHBondContact CA-O 3.15Å; D1896-T1900 PolarHBondContact N-O 3.44Å; D1896-T1900 VanDerWaalsContact N-O 3.08Å; D1896-T1900 PolarHBondContact OD1-N 3.12Å; D1896-T1900 PolarHBondContact OD1-OG1 3.5Å; D1896-T1900 PolarHBondContact OD2-OG1 3.24Å; G1898-T1900 PolarHBondContact O-N 2.96Å |
| 1901 | L | 73.6 | Confident | 70.2 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.4 | 178 | -175.1 | 164.7 | 0 | 0 | 0 | 108.4 | V1893 T1894 V1903 T1984 A1985 L1993 L1996 L2005 W2015 | V1893-L1901 HydrophobicContact CG1-CD1 4.33Å; V1893-L1901 HydrophobicContact CG1-CD2 3.38Å; V1893-L1901 HydrophobicContact CG1-CG 3.76Å; T1894-L1901 WeakPolarHBondContact O-CA 3.1Å; L1901-V1903 HydrophobicContact CD2-CG2 3.69Å; L1901-T1984 WeakPolarHBondContact O-CA 3.26Å; L1901-A1985 HydrophobicContact CB-CB 4.3Å; L1901-A1985 WeakPolarHBondContact CB-O 3.25Å; L1901-A1985 HydrophobicContact CD2-CB 4.36Å; L1901-A1985 PolarHBondContact N-O 3.4Å; L1901-A1985 PolarHBondContact O-N 3.09Å; L1901-L1993 HydrophobicContact CB-CD1 4.05Å; L1901-L1996 HydrophobicContact CD1-CD2 3.71Å; L1901-L2005 HydrophobicContact CD1-CD2 3.89Å; L1901-L2005 HydrophobicContact CD2-CD2 4.27Å; L1901-W2015 HydrophobicContact CD1-CD2 4Å; L1901-W2015 HydrophobicContact CD1-CE3 3.72Å; L1901-W2015 HydrophobicContact CD1-CH2 3.27Å; L1901-W2015 HydrophobicContact CD1-CZ2 3.55Å; L1901-W2015 HydrophobicContact CD1-CZ3 3.34Å |
| 1902 | R | 72.5 | Confident | 69.4 | Low | 43 Ų | 43 | 25.8 Ų | 25.8 | 16% | 0.162 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.3 | 177.8 | -60.1 | -176.8 | -176.4 | 167.2 | -9.7 | 110.6 | M1870 H1871 T1894 W1904 T1984 | M1870-R1902 PolarHBondContact O-NH1 2.92Å; M1870-R1902 VanDerWaalsContact O-NH1 3.1Å; M1870-R1902 PolarHBondContact O-NH2 2.82Å; H1871-R1902 PolarHBondContact CD2-NH1 3.35Å; H1871-R1902 VanDerWaalsContact CD2-NH1 3.28Å; H1871-R1902 VanDerWaalsContact CE1-CD 3.46Å; H1871-R1902 WeakPolarHBondContact CE1-CD 3.41Å; T1894-R1902 PolarHBondContact N-O 3.1Å; T1894-R1902 PolarHBondContact O-N 2.83Å; T1894-R1902 PolarHBondContact OG1-O 2.86Å; R1902-W1904 HydrophobicContact CB-CZ2 3.83Å; R1902-W1904 HydrophobicContact CG-CZ2 4.36Å; R1902-T1984 HydrophobicContact CG-CG2 4.29Å |
| 1903 | V | 76.4 | Confident | 67.9 | Low | 8 Ų | 8 | 28.8 Ų | 28.8 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.2 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | I1891 V1893 L1901 F2017 I2063 | I1891-V1903 HydrophobicContact CG2-CG1 4.05Å; V1893-V1903 HydrophobicContact CG1-CG2 4.08Å; V1893-V1903 HydrophobicContact CG2-CG1 4.42Å; V1893-V1903 HydrophobicContact CG2-CG2 4.22Å; L1901-V1903 HydrophobicContact CD2-CG2 3.69Å; V1903-F2017 HydrophobicContact CG1-CE1 4.03Å; V1903-F2017 HydrophobicContact CG1-CZ 4.07Å; V1903-F2017 HydrophobicContact CG2-CZ 3.97Å; V1903-I2063 HydrophobicContact CB-CD1 4.24Å; V1903-I2063 HydrophobicContact CG2-CD1 3.59Å |
| 1904 | W | 72.7 | Confident | 66.3 | Low | 15 Ų | 15 | 33.7 Ų | 33.7 | 6% | 0.057 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.9 | -168.7 | -50.9 | 91 | 0 | 0 | 0 | 111 | F1866 T1868 M1892 T1894 R1902 L1906 | F1866-W1904 HydrophobicContact CE1-CD2 4.18Å; F1866-W1904 AromaticContact CE1-CE3 3.75Å; F1866-W1904 HydrophobicContact CE1-CE3 3.75Å; F1866-W1904 HydrophobicContact CE1-CZ3 4.21Å; F1866-W1904 AromaticContact CZ-CE3 3.81Å; F1866-W1904 HydrophobicContact CZ-CE3 3.81Å; F1866-W1904 AromaticContact CZ-CZ3 3.96Å; F1866-W1904 HydrophobicContact CZ-CZ3 3.96Å; T1868-W1904 HydrophobicContact CG2-CD2 3.94Å; T1868-W1904 VanDerWaalsContact CG2-CE2 3.44Å; T1868-W1904 HydrophobicContact CG2-CE3 4.49Å; T1868-W1904 HydrophobicContact CG2-CG 4.42Å; T1868-W1904 HydrophobicContact CG2-CH2 4.2Å; T1868-W1904 HydrophobicContact CG2-CZ2 3.6Å; T1868-W1904 VanDerWaalsContact O-CH2 3.23Å; T1868-W1904 WeakPolarHBondContact O-CH2 3.49Å; M1892-W1904 HydrophobicContact CB-CB 4.37Å; M1892-W1904 HydrophobicContact CE-CB 3.88Å; M1892-W1904 HydrophobicContact CE-CD2 4.29Å; M1892-W1904 HydrophobicContact CE-CG 3.55Å; M1892-W1904 PolarHBondContact N-O 2.92Å; M1892-W1904 VanDerWaalsContact N-O 3.15Å; M1892-W1904 PolarHBondContact O-N 3.16Å; T1894-W1904 PolarHBondContact OG1-NE1 3.27Å; R1902-W1904 HydrophobicContact CB-CZ2 3.83Å; R1902-W1904 HydrophobicContact CG-CZ2 4.36Å; W1904-L1906 HydrophobicContact CB-CD2 4.3Å; W1904-L1906 HydrophobicContact CB-CG 4.34Å |
| 1905 | R | 64.9 | Low | 64.6 | Low | 63 Ų | 63 | 36.4 Ų | 36.4 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 107.2 | 171.6 | -174.2 | 177.9 | -176.8 | -175.6 | -0.2 | 108.7 | E1889 Y1982 | E1889-R1905 IonicContact OE1-CZ 2.76Å; E1889-R1905 IonicContact OE1-NE 3.38Å; E1889-R1905 PolarHBondContact OE1-NE 3.03Å; E1889-R1905 IonicContact OE1-NH2 2.69Å; E1889-R1905 PolarHBondContact OE1-NH2 2.81Å; E1889-R1905 IonicContact OE2-CZ 3.89Å; E1889-R1905 IonicContact OE2-NE 2.71Å; E1889-R1905 PolarHBondContact OE2-NE 3.12Å; E1889-R1905 IonicContact OE2-NH2 3.01Å; E1889-R1905 PolarHBondContact OE2-NH2 3.19Å; R1905-Y1982 HydrophobicContact CB-CD2 4.27Å; R1905-Y1982 HydrophobicContact CB-CE2 4.09Å; R1905-Y1982 PolarHBondContact NH1-OH 3.13Å |
| 1906 | L | 67.5 | Low | 63 | Low | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 86.1 | -176.2 | -56.3 | 175.6 | 0 | 0 | 0 | 109.3 | V1856 F1866 L1890 M1892 W1904 L1911 | V1856-L1906 HydrophobicContact CG1-CD1 4.47Å; V1856-L1906 HydrophobicContact CG2-CD1 4.24Å; F1866-L1906 HydrophobicContact CD1-CD2 3.6Å; F1866-L1906 HydrophobicContact CE1-CD2 3.93Å; F1866-L1906 HydrophobicContact CG-CD2 4.05Å; L1890-L1906 HydrophobicContact CB-CB 4.34Å; L1890-L1906 PolarHBondContact N-O 3.31Å; L1890-L1906 WeakPolarHBondContact O-CA 3.39Å; L1890-L1906 WeakPolarHBondContact O-CB 2.97Å; L1890-L1906 PolarHBondContact O-N 2.95Å; M1892-L1906 HydrophobicContact CB-CD1 3.9Å; M1892-L1906 HydrophobicContact CE-CD1 4.3Å; M1892-L1906 HydrophobicContact SD-CD1 4.04Å; W1904-L1906 HydrophobicContact CB-CD2 4.3Å; W1904-L1906 HydrophobicContact CB-CG 4.34Å; L1906-L1911 HydrophobicContact CB-CD1 3.97Å; L1906-L1911 HydrophobicContact CB-CD2 4.41Å; L1906-L1911 HydrophobicContact CB-CG 4.24Å |
| 1907 | T | 63.3 | Low | 61 | Low | 32 Ų | 32 | 49.9 Ų | 49.9 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144.9 | 171.9 | 66.5 | 0 | 0 | 0 | 0 | 109.9 | E1889 Q1909 M1910 L1911 | E1889-T1907 HydrophobicContact CG-CG2 4.06Å; T1907-Q1909 PolarHBondContact O-N 3.38Å; T1907-M1910 PolarHBondContact O-N 3.14Å; T1907-M1910 WeakPolarHBondContact OG1-CB 3.29Å; T1907-M1910 PolarHBondContact OG1-N 3.22Å; T1907-M1910 VanDerWaalsContact OG1-N 3.15Å; T1907-L1911 PolarHBondContact O-N 3.35Å; T1907-L1911 VanDerWaalsContact O-N 3.09Å |
| 1908 | T | 57.6 | Low | 58.8 | Low | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.9 | -35.6 | 175.9 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | D1888 L1890 C1912 | D1888-T1908 PolarHBondContact O-N 3.13Å; D1888-T1908 PolarHBondContact O-OG1 3.49Å; D1888-T1908 WeakPolarHBondContact OD1-CB 3.26Å; D1888-T1908 WeakPolarHBondContact OD1-CG2 3.42Å; D1888-T1908 PolarHBondContact OD1-OG1 2.61Å; L1890-T1908 HydrophobicContact CD1-CG2 4.43Å; T1908-C1912 VanDerWaalsContact O-CB 3.27Å; T1908-C1912 WeakPolarHBondContact O-CB 3.18Å; T1908-C1912 PolarHBondContact O-N 3.12Å; T1908-C1912 PolarHBondContact O-SG 2.61Å |
| 1909 | Q | 56.7 | Low | 56.9 | Low | 153 Ų | 153 | 57.2 Ų | 57.2 | 72% | 0.715 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 174.8 | -63.9 | -169.9 | 16.1 | 0 | 0 | 113.2 | T1907 C1912 S1913 | T1907-Q1909 PolarHBondContact O-N 3.38Å; Q1909-C1912 PolarHBondContact O-N 3.42Å; Q1909-S1913 VanDerWaalsContact O-CB 3.29Å; Q1909-S1913 WeakPolarHBondContact O-CB 3.36Å; Q1909-S1913 PolarHBondContact O-N 3.47Å |
| 1910 | M | 58.1 | Low | 54.9 | Low | 65 Ų | 65 | 67.3 Ų | 67.3 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 175.3 | -86.8 | -165.8 | 156.7 | 0 | 0 | 112.1 | T1907 C1912 S1913 Q1914 P1979 | T1907-M1910 PolarHBondContact O-N 3.14Å; T1907-M1910 WeakPolarHBondContact OG1-CB 3.29Å; T1907-M1910 PolarHBondContact OG1-N 3.22Å; T1907-M1910 VanDerWaalsContact OG1-N 3.15Å; M1910-C1912 VanDerWaalsContact C-N 3.32Å; M1910-C1912 PolarHBondContact O-N 2.95Å; M1910-S1913 WeakPolarHBondContact O-CB 3.05Å; M1910-S1913 PolarHBondContact O-N 2.9Å; M1910-S1913 VanDerWaalsContact O-N 3.07Å; M1910-S1913 PolarHBondContact O-OG 3.3Å; M1910-Q1914 PolarHBondContact O-N 2.69Å; M1910-P1979 HydrophobicContact CE-CB 4.46Å; M1910-P1979 HydrophobicContact SD-CB 3.95Å |
| 1911 | L | 58.9 | Low | 53 | Low | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.2 | -67.7 | 163.8 | 0 | 0 | 0 | 111.2 | W1844 V1856 A1865 F1866 L1890 L1906 T1907 I1915 | W1844-L1911 HydrophobicContact CD2-CD1 4.29Å; W1844-L1911 HydrophobicContact CE3-CD1 4.12Å; W1844-L1911 HydrophobicContact CH2-CB 3.77Å; W1844-L1911 HydrophobicContact CH2-CD1 3.64Å; W1844-L1911 HydrophobicContact CH2-CG 4.22Å; W1844-L1911 HydrophobicContact CZ2-CD1 3.79Å; W1844-L1911 HydrophobicContact CZ3-CB 4Å; W1844-L1911 HydrophobicContact CZ3-CD1 3.8Å; W1844-L1911 HydrophobicContact CZ3-CD2 4.16Å; W1844-L1911 HydrophobicContact CZ3-CG 4.21Å; V1856-L1911 HydrophobicContact CG1-CD2 4.35Å; A1865-L1911 HydrophobicContact CB-CD2 3.92Å; F1866-L1911 HydrophobicContact CB-CD2 4.06Å; L1890-L1911 HydrophobicContact CD1-CD1 4.27Å; L1906-L1911 HydrophobicContact CB-CD1 3.97Å; L1906-L1911 HydrophobicContact CB-CD2 4.41Å; L1906-L1911 HydrophobicContact CB-CG 4.24Å; T1907-L1911 PolarHBondContact O-N 3.35Å; T1907-L1911 VanDerWaalsContact O-N 3.09Å; L1911-I1915 WeakPolarHBondContact O-CD1 3.38Å; L1911-I1915 WeakPolarHBondContact O-CG1 3.34Å |
| 1912 | C | 54.6 | Low | 50.9 | Low | 44 Ų | 44 | 77.1 Ų | 77.1 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.7 | -28.7 | 174.1 | -73.2 | 0 | 0 | 0 | 0 | 113.7 | T1908 Q1909 M1910 I1915 A1916 | T1908-C1912 VanDerWaalsContact O-CB 3.27Å; T1908-C1912 WeakPolarHBondContact O-CB 3.18Å; T1908-C1912 PolarHBondContact O-N 3.12Å; T1908-C1912 PolarHBondContact O-SG 2.61Å; Q1909-C1912 PolarHBondContact O-N 3.42Å; M1910-C1912 VanDerWaalsContact C-N 3.32Å; M1910-C1912 PolarHBondContact O-N 2.95Å; C1912-I1915 CarbonylContact O-C 3.53Å; C1912-I1915 PolarHBondContact O-N 2.77Å; C1912-A1916 WeakPolarHBondContact O-CB 3.14Å; C1912-A1916 PolarHBondContact O-N 2.84Å |
| 1913 | S | 48.6 | Very low | 48.8 | Very low | 63 Ų | 63 | 79.2 Ų | 79.2 | 44% | 0.441 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | -178.6 | 77.2 | 0 | 0 | 0 | 0 | 113 | Q1909 M1910 A1916 Y1917 | Q1909-S1913 VanDerWaalsContact O-CB 3.29Å; Q1909-S1913 WeakPolarHBondContact O-CB 3.36Å; Q1909-S1913 PolarHBondContact O-N 3.47Å; M1910-S1913 WeakPolarHBondContact O-CB 3.05Å; M1910-S1913 PolarHBondContact O-N 2.9Å; M1910-S1913 VanDerWaalsContact O-N 3.07Å; M1910-S1913 PolarHBondContact O-OG 3.3Å; S1913-A1916 WeakPolarHBondContact O-CB 3.13Å; S1913-A1916 PolarHBondContact O-N 2.76Å; S1913-Y1917 PolarHBondContact O-N 3.15Å |
| 1914 | Q | 46.4 | Very low | 46.4 | Very low | 103 Ų | 103 | 86 Ų | 86 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.1 | -35.9 | 175.2 | -66.8 | -164 | -12.1 | 0 | 0 | 111.1 | A1865 M1910 A1916 Y1917 | A1865-Q1914 PolarHBondContact O-OE1 2.78Å; M1910-Q1914 PolarHBondContact O-N 2.69Å; Q1914-A1916 PolarHBondContact O-N 2.98Å; Q1914-Y1917 PolarHBondContact O-N 3.42Å; Q1914-Y1917 VanDerWaalsContact O-N 3.15Å |
| 1915 | I | 47.5 | Very low | 44.2 | Very low | 57 Ų | 57 | 94.6 Ų | 94.6 | 29% | 0.292 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -29.1 | 169.8 | -62.3 | 168.9 | 0 | 0 | 0 | 111.7 | I1863 A1865 L1911 C1912 | I1863-I1915 HydrophobicContact CG2-CG1 4.5Å; A1865-I1915 HydrophobicContact CB-CD1 4.28Å; L1911-I1915 WeakPolarHBondContact O-CD1 3.38Å; L1911-I1915 WeakPolarHBondContact O-CG1 3.34Å; C1912-I1915 CarbonylContact O-C 3.53Å; C1912-I1915 PolarHBondContact O-N 2.77Å |
| 1916 | A | 43.6 | Very low | 42.3 | Very low | 80 Ų | 80 | 100.7 Ų | 100.7 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -78.1 | -21.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1912 S1913 Q1914 I1918 | C1912-A1916 WeakPolarHBondContact O-CB 3.14Å; C1912-A1916 PolarHBondContact O-N 2.84Å; S1913-A1916 WeakPolarHBondContact O-CB 3.13Å; S1913-A1916 PolarHBondContact O-N 2.76Å; Q1914-A1916 PolarHBondContact O-N 2.98Å; A1916-I1918 PolarHBondContact O-N 3.41Å |
| 1917 | Y | 37.8 | Very low | 40.5 | Very low | 203 Ų | 203 | 108.8 Ų | 108.8 | 80% | 0.796 | 57% | 0.569 | S | S | * | * | trans | -84.4 | 45 | -179.4 | -144.3 | -84.5 | 0 | 0 | 0 | 112.9 | S1913 Q1914 P1919 | S1913-Y1917 PolarHBondContact O-N 3.15Å; Q1914-Y1917 PolarHBondContact O-N 3.42Å; Q1914-Y1917 VanDerWaalsContact O-N 3.15Å; Y1917-P1919 WeakPolarHBondContact O-CD 3.32Å | ||
| 1918 | I | 29.7 | Very low | 38.7 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 67% | 0.667 | 59% | 0.586 | S | S | * | * | trans | -78.6 | 110.1 | 166 | -62.4 | 172.1 | 0 | 0 | 0 | 107.5 | A1916 K1920 | A1916-I1918 PolarHBondContact O-N 3.41Å; I1918-K1920 PolarHBondContact O-N 3.05Å | ||
| 1919 | P | 29.3 | Very low | 37.3 | Very low | 85 Ų | 85 | 121.7 Ų | 121.7 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | trans | -60.8 | 138.9 | 172 | 26.8 | -34.1 | 0 | 0 | 0 | 109.4 | Y1917 T1921 | Y1917-P1919 WeakPolarHBondContact O-CD 3.32Å; P1919-T1921 PolarHBondContact O-N 2.79Å | ||
| 1920 | K | 25.3 | Very low | 35.9 | Very low | 216 Ų | 216 | 122.3 Ų | 122.3 | 94% | 0.939 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -76.9 | 49.1 | -173.2 | -69.7 | 178.6 | 178.1 | 169.4 | 0 | 113.7 | I1918 | I1918-K1920 PolarHBondContact O-N 3.05Š|
| 1921 | T | 27.2 | Very low | 34.4 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | trans | -152.4 | 122.3 | 174.9 | 48.8 | 0 | 0 | 0 | 0 | 105.6 | P1919 | P1919-T1921 PolarHBondContact O-N 2.79Š| ||
| 1922 | V | 30 | Very low | 32.7 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | cis | -132.4 | 165.6 | 34.2 | 169.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1923 | S | 29.6 | Very low | 31.5 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | -54.3 | 143.5 | -175.4 | 53.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1924 | N | 24.2 | Very low | 30.5 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | 47.2 | 104.2 | 136.9 | -52.8 | -17 | 0 | 0 | 0 | 118.5 | ||||
| 1925 | E | 27.7 | Very low | 29.4 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | -157.2 | 177.8 | 104.4 | -113.8 | 175 | -165.3 | 0 | 0 | 112.9 | |||||
| 1926 | K | 25.1 | Very low | 28.4 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -85 | 142.1 | -162.6 | -59.9 | 155.2 | -175.8 | 160 | 0 | 112.3 | ||||
| 1927 | I | 29.6 | Very low | 27.7 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 89% | 0.892 | 77% | 0.77 | S | S | * | * | -160.1 | 147.6 | 116.3 | -93.7 | 145.5 | 0 | 0 | 0 | 107.8 | |||||
| 1928 | S | 26.4 | Very low | 27 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 54% | 0.538 | 77% | 0.769 | S | S | . | * | trans | -130.6 | 122.5 | -157.9 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1929 | Y | 28.1 | Very low | 26.9 | Very low | 236 Ų | 236 | 149.1 Ų | 149.1 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -156.2 | 68.7 | 152.5 | -75.6 | -65.9 | 0 | 0 | 0 | 108 | ||||
| 1930 | L | 26.7 | Very low | 26.6 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | 48.4 | 81.2 | 86.1 | -77.8 | 170.2 | 0 | 0 | 0 | 114.2 | |||||
| 1931 | G | 26.9 | Very low | 26.6 | Very low | 65 Ų | 65 | 151.7 Ų | 151.7 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -155.2 | 49.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1932 | R | 23.7 | Very low | 26.4 | Very low | 236 Ų | 236 | 149.8 Ų | 149.8 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -102.9 | 169.9 | 176.9 | -120.2 | -172.1 | -175 | -162.1 | 3.8 | 108.2 | ||||
| 1933 | P | 28.4 | Very low | 26.2 | Very low | 89 Ų | 89 | 149.8 Ų | 149.8 | 58% | 0.578 | 78% | 0.777 | S | S | * | * | cis | -147.1 | -156.3 | 7.2 | 29.5 | -1.4 | 0 | 0 | 0 | 114.7 | ||||
| 1934 | L | 26.5 | Very low | 26 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | 99.8 | 105.2 | 145.9 | -74.2 | 158.8 | 0 | 0 | 0 | 119.6 | H1936 | L1934-H1936 PolarHBondContact O-N 3.1Š| ||
| 1935 | I | 25.1 | Very low | 26.1 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | trans | -68.2 | 112.2 | 140.4 | -63.2 | 165.2 | 0 | 0 | 0 | 107.2 | ||||
| 1936 | H | 26.3 | Very low | 26 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -173.4 | 97.8 | 154.2 | -110.8 | -75.3 | 0 | 0 | 0 | 109 | L1934 | L1934-H1936 PolarHBondContact O-N 3.1Š| ||
| 1937 | D | 27.4 | Very low | 26.2 | Very low | 167 Ų | 167 | 149 Ų | 149 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -172.3 | 93.6 | 139.9 | -100.3 | -11.7 | 0 | 0 | 0 | 109.9 | ||||
| 1938 | L | 24.7 | Very low | 25.9 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -111.7 | 135.8 | 162.1 | -125.7 | 167.5 | 0 | 0 | 0 | 105.6 | ||||
| 1939 | H | 26.4 | Very low | 25.9 | Very low | 142 Ų | 142 | 152 Ų | 152 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 72.8 | 99.9 | 179.1 | -50.7 | -78.2 | 0 | 0 | 0 | 118.7 | ||||
| 1940 | R | 24.2 | Very low | 25.6 | Very low | 248 Ų | 248 | 146.4 Ų | 146.4 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | -120.3 | 127.7 | 97.9 | -69.8 | -177.4 | 175.2 | -166 | -1.6 | 107.5 | |||||
| 1941 | C | 23.6 | Very low | 25.5 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | cis | 10.3 | 83.3 | 1.7 | -61.1 | 0 | 0 | 0 | 0 | 117.6 | V1943 | C1941-V1943 PolarHBondContact O-N 3.38Š| ||
| 1942 | G | 24.6 | Very low | 25.4 | Very low | 67 Ų | 67 | 151.8 Ų | 151.8 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -89.5 | 75.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1943 | V | 26.3 | Very low | 25.3 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -126.8 | 111.4 | 153.1 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | C1941 | C1941-V1943 PolarHBondContact O-N 3.38Š| ||
| 1944 | D | 24.3 | Very low | 25.2 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -0.5 | 128.6 | 168.4 | -59.5 | -22.8 | 0 | 0 | 0 | 120.3 | ||||
| 1945 | H | 27.5 | Very low | 25.1 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | 57.6 | 119 | 140.8 | -67.7 | -58.1 | 0 | 0 | 0 | 120.7 | ||||
| 1946 | N | 25.6 | Very low | 25 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 58.3 | 102.6 | 139.1 | -53.4 | -28.8 | 0 | 0 | 0 | 118.1 | ||||
| 1947 | Q | 28.2 | Very low | 25 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | 176 | 130.9 | 110.9 | -95.2 | 160.8 | 77.4 | 0 | 0 | 114.3 | S1949 | Q1947-S1949 PolarHBondContact O-N 3.41Å; Q1947-S1949 VanDerWaalsContact O-N 3.08Å | |||
| 1948 | K | 23 | Very low | 25 | Very low | 206 Ų | 206 | 139.3 Ų | 139.3 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | trans | -9.9 | 90.9 | 156.8 | -59.1 | 172.5 | 179.2 | 177.7 | 0 | 116.7 | ||||
| 1949 | S | 26 | Very low | 25 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -98.6 | 88.5 | 166.6 | 41.9 | 0 | 0 | 0 | 0 | 111.2 | Q1947 V1951 | Q1947-S1949 PolarHBondContact O-N 3.41Å; Q1947-S1949 VanDerWaalsContact O-N 3.08Å; S1949-V1951 PolarHBondContact O-N 3.08Å | ||
| 1950 | T | 23.1 | Very low | 25 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | -72.3 | 106.5 | 168 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1951 | V | 24.8 | Very low | 25 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 126.4 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | S1949 | S1949-V1951 PolarHBondContact O-N 3.08Š|
| 1952 | Y | 24.3 | Very low | 25 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 149.8 | -164.6 | -92.2 | -118.2 | 0 | 0 | 0 | 114.2 | P1954 | Y1952-P1954 WeakPolarHBondContact O-CD 3.48Š|
| 1953 | I | 21.8 | Very low | 25 | Very low | 147 Ų | 147 | 138 Ų | 138 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.1 | 151.4 | -61.5 | 162.5 | 0 | 0 | 0 | 107.1 | S1955 | I1953-S1955 PolarHBondContact O-N 3Š|
| 1954 | P | 26.5 | Very low | 25 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -73.1 | 106.1 | 163.9 | 28.3 | -28.6 | 0 | 0 | 0 | 108.3 | Y1952 | Y1952-P1954 WeakPolarHBondContact O-CD 3.48Š| ||
| 1955 | S | 24.3 | Very low | 25.2 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | -91 | 136.8 | -176.9 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | I1953 | I1953-S1955 PolarHBondContact O-N 3Š| ||
| 1956 | S | 23.7 | Very low | 25.2 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | 60.3 | 166.3 | 148.6 | 69.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1957 | D | 24.8 | Very low | 25.3 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 61.3 | 105.5 | 162.3 | -47.6 | -54.5 | 0 | 0 | 0 | 116.6 | ||||
| 1958 | S | 28.6 | Very low | 25.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | cis | -152.6 | 144.4 | 48 | 46.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1959 | V | 24.7 | Very low | 25.6 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | cis | 71.6 | 102.1 | 39 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1960 | Q | 25.8 | Very low | 25.8 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 59% | 0.593 | 74% | 0.739 | S | S | * | * | -179.1 | 166.3 | 61.9 | -131.4 | 158 | 41.9 | 0 | 0 | 111.2 | |||||
| 1961 | R | 23.5 | Very low | 25.9 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 70% | 0.698 | 74% | 0.739 | S | S | * | * | trans | 73.1 | 140.3 | 151.3 | -68.4 | 162 | -177.1 | 154.3 | 4.5 | 117.8 | ||||
| 1962 | F | 23.8 | Very low | 26.2 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 75% | 0.746 | 73% | 0.733 | S | S | * | * | cis | -152.9 | 137.4 | 2.2 | -106.2 | -46.4 | 0 | 0 | 0 | 112.5 | ||||
| 1963 | S | 24.4 | Very low | 26.3 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 35.7 | 146.1 | 140.4 | 50.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1964 | S | 26.8 | Very low | 26.5 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | cis | -162.8 | 139.1 | 10.8 | 40.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1965 | G | 27.5 | Very low | 26.4 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | trans | 91.9 | 142.2 | 152 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1966 | S | 27.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | cis | -161 | 146.4 | -10.1 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1967 | G | 28 | Very low | 26.9 | Very low | 58 Ų | 58 | 141.8 Ų | 141.8 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | trans | 90.4 | 109.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1968 | Y | 29.2 | Very low | 27.3 | Very low | 230 Ų | 230 | 145.8 Ų | 145.8 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | 66.2 | 128 | 75 | -62.8 | -46.7 | 0 | 0 | 0 | 113.2 | |||||
| 1969 | V | 28.8 | Very low | 27.6 | Very low | 111 Ų | 111 | 142 Ų | 142 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | cis | -157.4 | 146.1 | 7.9 | 105.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1970 | N | 29 | Very low | 28.2 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | 57.9 | 157.1 | 160.4 | -66 | 21.6 | 0 | 0 | 0 | 120.1 | ||||
| 1971 | D | 25.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | cis | -158.7 | -176.6 | -40.3 | -130.9 | -38.2 | 0 | 0 | 0 | 110.1 | ||||
| 1972 | N | 31.3 | Very low | 30.3 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | 66.1 | 71.9 | 173.3 | -62.6 | -28 | 0 | 0 | 0 | 115.8 | ||||
| 1973 | R | 27.3 | Very low | 31.2 | Very low | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 69% | 0.687 | S | S | * | * | trans | -69 | 165.4 | 155.5 | -71 | 174.4 | 168.7 | 170.1 | -5.1 | 110.9 | ||||
| 1974 | L | 24.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 80% | 0.801 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 75.6 | 138.3 | -172.6 | -52.7 | 162.1 | 0 | 0 | 0 | 112.6 | ||
| 1975 | F | 25.4 | Very low | 33.2 | Very low | 203 Ų | 203 | 123.1 Ų | 123.1 | 89% | 0.89 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 58.9 | 48.4 | -178.4 | -52.6 | -76.1 | 0 | 0 | 0 | 116.8 | ||
| 1976 | N | 29.5 | Very low | 34.1 | Very low | 146 Ų | 146 | 121.6 Ų | 121.6 | 78% | 0.781 | 61% | 0.61 | S | S | * | * | trans | -150.4 | 60.9 | 167.3 | -103.3 | -45 | 0 | 0 | 0 | 112.8 | R1978 | N1976-R1978 PolarHBondContact O-N 3.27Š| ||
| 1977 | K | 28.1 | Very low | 34.8 | Very low | 174 Ų | 174 | 115.8 Ų | 115.8 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | trans | -74.6 | 106 | 157.8 | -87.3 | -159.1 | 170.8 | -157.5 | 0 | 107.9 | ||||
| 1978 | R | 32.4 | Very low | 35.4 | Very low | 213 Ų | 213 | 114.4 Ų | 114.4 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 149 | 158.9 | -69.7 | 179.3 | 174.1 | 171.4 | -2.7 | 108 | N1976 D1980 | N1976-R1978 PolarHBondContact O-N 3.27Å; R1978-D1980 PolarHBondContact O-N 2.9Å; R1978-D1980 VanDerWaalsContact O-N 3.15Å |
| 1979 | P | 35.1 | Very low | 36 | Very low | 32 Ų | 32 | 103.6 Ų | 103.6 | 21% | 0.208 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 120.1 | 170.6 | 24 | -31 | 0 | 0 | 0 | 109 | F1866 M1910 Y1981 | F1866-P1979 HydrophobicContact CE2-CG 3.53Å; F1866-P1979 HydrophobicContact CZ-CG 3.62Å; M1910-P1979 HydrophobicContact CE-CB 4.46Å; M1910-P1979 HydrophobicContact SD-CB 3.95Å; P1979-Y1981 PolarHBondContact O-N 2.98Å |
| 1980 | D | 37.9 | Very low | 36.8 | Very low | 114 Ų | 114 | 101.6 Ų | 101.6 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 118.4 | 174.2 | -62.7 | -56.7 | 0 | 0 | 0 | 108.1 | R1978 Y1982 | R1978-D1980 PolarHBondContact O-N 2.9Å; R1978-D1980 VanDerWaalsContact O-N 3.15Å; D1980-Y1982 PolarHBondContact O-N 3.17Å |
| 1981 | Y | 46.7 | Very low | 37.9 | Very low | 130 Ų | 130 | 95.8 Ų | 95.8 | 51% | 0.51 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -75 | 121.4 | 176.3 | 60.3 | -89.8 | 0 | 0 | 0 | 108.5 | P1979 S1983 T1984 | P1979-Y1981 PolarHBondContact O-N 2.98Å; Y1981-S1983 VanDerWaalsContact C-N 3.33Å; Y1981-S1983 PolarHBondContact O-N 3.01Å; Y1981-T1984 HydrophobicContact CD2-CG2 4.21Å; Y1981-T1984 HydrophobicContact CE2-CG2 3.97Å |
| 1982 | Y | 46.8 | Very low | 39.6 | Very low | 75 Ų | 75 | 96 Ų | 96 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | trans | -66.9 | -32.9 | -166.2 | -97 | -98.1 | 0 | 0 | 0 | 113.8 | R1905 D1980 P2059 F2061 | R1905-Y1982 HydrophobicContact CB-CD2 4.27Å; R1905-Y1982 HydrophobicContact CB-CE2 4.09Å; R1905-Y1982 PolarHBondContact NH1-OH 3.13Å; D1980-Y1982 PolarHBondContact O-N 3.17Å; Y1982-P2059 PolarHBondContact OH-O 2.98Å; Y1982-F2061 HydrophobicContact CD1-CB 3.83Å; Y1982-F2061 HydrophobicContact CE1-CB 3.99Å; Y1982-F2061 HydrophobicContact CE1-CD2 4.26Å | ||
| 1983 | S | 43.3 | Very low | 41.1 | Very low | 31 Ų | 31 | 89.4 Ų | 89.4 | 22% | 0.217 | 42% | 0.421 | C | S | . | . | trans | -161.5 | 149 | -179.7 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | Y1981 | Y1981-S1983 VanDerWaalsContact C-N 3.33Å; Y1981-S1983 PolarHBondContact O-N 3.01Å | ||
| 1984 | T | 47.2 | Very low | 42.9 | Very low | 41 Ų | 41 | 82.8 Ų | 82.8 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 105.5 | 157.4 | 48.3 | 0 | 0 | 0 | 0 | 108.1 | G1120 L1901 R1902 Y1981 | G1120-T1984 PolarHBondContact O-OG1 3.32Å; L1901-T1984 WeakPolarHBondContact O-CA 3.26Å; R1902-T1984 HydrophobicContact CG-CG2 4.29Å; Y1981-T1984 HydrophobicContact CD2-CG2 4.21Å; Y1981-T1984 HydrophobicContact CE2-CG2 3.97Å |
| 1985 | A | 45.6 | Very low | 45 | Very low | 13 Ų | 13 | 78.9 Ų | 78.9 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L1901 | L1901-A1985 HydrophobicContact CB-CB 4.3Å; L1901-A1985 WeakPolarHBondContact CB-O 3.25Å; L1901-A1985 HydrophobicContact CD2-CB 4.36Å; L1901-A1985 PolarHBondContact N-O 3.4Å; L1901-A1985 PolarHBondContact O-N 3.09Å |
| 1986 | A | 46.4 | Very low | 47.3 | Very low | 52 Ų | 52 | 69.5 Ų | 69.5 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y1988 | A1986-Y1988 PolarHBondContact O-N 3.12Å |
| 1987 | G | 41.5 | Very low | 49.1 | Very low | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | trans | -68.4 | 108.6 | 161 | 0 | 0 | 0 | 0 | 0 | 107.4 | G1899 G1989 | G1899-G1987 PolarHBondContact O-N 3.5Å; G1987-G1989 PolarHBondContact O-N 3.27Å; G1987-G1989 VanDerWaalsContact O-N 3.1Å | ||
| 1988 | Y | 41.7 | Very low | 51.1 | Low | 29 Ų | 29 | 57.6 Ų | 57.6 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -56.6 | 117.3 | -168 | -90.6 | -65.1 | 0 | 0 | 0 | 112.9 | P1034 R1035 E1038 A1986 | P1034-Y1988 HydrophobicContact CB-CD1 3.6Å; P1034-Y1988 HydrophobicContact CB-CD2 3.66Å; P1034-Y1988 HydrophobicContact CB-CE1 3.34Å; P1034-Y1988 HydrophobicContact CB-CE2 3.36Å; P1034-Y1988 HydrophobicContact CB-CG 3.77Å; P1034-Y1988 HydrophobicContact CG-CD2 4.36Å; P1034-Y1988 HydrophobicContact CG-CE1 4.28Å; P1034-Y1988 HydrophobicContact CG-CE2 3.71Å; R1035-Y1988 HydrophobicContact CB-CD1 4.44Å; R1035-Y1988 WeakPolarHBondContact CD-O 3.18Å; R1035-Y1988 PolarHBondContact NH1-O 3.05Å; E1038-Y1988 VanDerWaalsContact OE2-CD1 3.27Å; E1038-Y1988 WeakPolarHBondContact OE2-CD1 3.31Å; A1986-Y1988 PolarHBondContact O-N 3.12Å |
| 1989 | G | 41.4 | Very low | 52.3 | Low | 2 Ų | 2 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 102.9 | 143.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1038 G1987 T1991 | E1038-G1989 VanDerWaalsContact OE1-C 3.32Å; E1038-G1989 WeakPolarHBondContact OE1-CA 3.45Å; E1038-G1989 PolarHBondContact OE1-N 3.13Å; G1987-G1989 PolarHBondContact O-N 3.27Å; G1987-G1989 VanDerWaalsContact O-N 3.1Å; G1989-T1991 PolarHBondContact O-N 3Å; G1989-T1991 PolarHBondContact O-OG1 3.38Å; G1989-T1991 VanDerWaalsContact O-OG1 3.1Å |
| 1990 | S | 46.6 | Very low | 53.4 | Low | 69 Ų | 69 | 52 Ų | 52 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -68.4 | 57.7 | 179.4 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | R1041 | R1041-S1990 PolarHBondContact NH1-OG 3.44Š|
| 1991 | T | 52.2 | Low | 54.4 | Low | 16 Ų | 16 | 49.1 Ų | 49.1 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | trans | -134.1 | 129.9 | -165.9 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | R1035 G1989 D2010 | R1035-T1991 PolarHBondContact NH1-OG1 3.49Å; R1035-T1991 VanDerWaalsContact NH1-OG1 3.1Å; G1989-T1991 PolarHBondContact O-N 3Å; G1989-T1991 PolarHBondContact O-OG1 3.38Å; G1989-T1991 VanDerWaalsContact O-OG1 3.1Å; T1991-D2010 WeakPolarHBondContact CB-OD1 3.41Å; T1991-D2010 HydrophobicContact CG2-CB 3.97Å; T1991-D2010 WeakPolarHBondContact CG2-OD2 3.4Å | ||
| 1992 | W | 61.4 | Low | 55.2 | Low | 139 Ų | 139 | 43 Ų | 43 | 53% | 0.527 | 23% | 0.233 | S | C | . | . | trans | -67.8 | 134 | -161.3 | -49.4 | -34.3 | 0 | 0 | 0 | 113.1 | D1897 H1994 S2009 | D1897-W1992 VanDerWaalsContact O-CD1 3.31Å; W1992-H1994 VanDerWaalsContact C-N 3.33Å; W1992-H1994 AromaticContact CE3-CE1 3.87Å; W1992-H1994 AromaticContact CE3-NE2 3.98Å; W1992-H1994 PolarHBondContact O-CD2 2.96Å; W1992-H1994 VanDerWaalsContact O-CD2 3.31Å; W1992-H1994 PolarHBondContact O-N 3.46Å; W1992-S2009 VanDerWaalsContact O-CA 3.24Å; W1992-S2009 WeakPolarHBondContact O-CA 3.47Å; W1992-S2009 WeakPolarHBondContact O-CB 3.27Å | ||
| 1993 | L | 63.1 | Low | 56 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -78.2 | 81.3 | 174 | -79 | 171 | 0 | 0 | 0 | 110.8 | R1876 L1901 K1995 L2008 W2015 | R1876-L1993 VanDerWaalsContact CB-O 3.23Å; R1876-L1993 WeakPolarHBondContact CB-O 3.46Å; L1901-L1993 HydrophobicContact CB-CD1 4.05Å; L1993-K1995 VanDerWaalsContact C-N 3.31Å; L1993-K1995 PolarHBondContact O-N 2.98Å; L1993-L2008 CarbonylContact C-O 3.57Å; L1993-W2015 HydrophobicContact CD2-CH2 4.14Å | ||
| 1994 | H | 64.7 | Low | 57 | Low | 104 Ų | 104 | 44.8 Ų | 44.8 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | trans | -58.6 | -34.2 | -178.8 | -74.2 | -75.7 | 0 | 0 | 0 | 114.5 | W1992 L2008 | W1992-H1994 VanDerWaalsContact C-N 3.33Å; W1992-H1994 AromaticContact CE3-CE1 3.87Å; W1992-H1994 AromaticContact CE3-NE2 3.98Å; W1992-H1994 PolarHBondContact O-CD2 2.96Å; W1992-H1994 VanDerWaalsContact O-CD2 3.31Å; W1992-H1994 PolarHBondContact O-N 3.46Å; H1994-L2008 PolarHBondContact N-O 3.42Å | ||
| 1995 | K | 67.6 | Low | 58 | Low | 71 Ų | 71 | 42.8 Ų | 42.8 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147.4 | -175 | -163.7 | 171.2 | 179.1 | 179.9 | 0 | 112 | L1993 G2007 L2008 G2123 | L1993-K1995 VanDerWaalsContact C-N 3.31Å; L1993-K1995 PolarHBondContact O-N 2.98Å; K1995-G2007 CarbonylContact O-C 3.45Å; K1995-G2007 VanDerWaalsContact O-CA 3.26Å; K1995-G2007 WeakPolarHBondContact O-CA 3.37Å; K1995-L2008 HydrophobicContact CB-CB 4.34Å; K1995-L2008 PolarHBondContact N-O 3.02Å; K1995-L2008 PolarHBondContact O-N 2.74Å; K1995-G2123 WeakPolarHBondContact CD-O 3.46Å; K1995-G2123 PolarHBondContact NZ-O 2.89Å |
| 1996 | L | 74.1 | Confident | 58.9 | Low | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.9 | 170.3 | -66.9 | 172.2 | 0 | 0 | 0 | 109.2 | S1877 A1879 V1893 L1901 L2005 A2006 W2015 | S1877-L1996 PolarHBondContact OG-N 3.33Å; A1879-L1996 HydrophobicContact CB-CB 4.19Å; V1893-L1996 HydrophobicContact CB-CD1 4.48Å; V1893-L1996 HydrophobicContact CG1-CD1 3.94Å; L1901-L1996 HydrophobicContact CD1-CD2 3.71Å; L1996-L2005 HydrophobicContact CB-CD1 4.49Å; L1996-L2005 HydrophobicContact CD2-CD2 4.48Å; L1996-A2006 CarbonylContact C-O 3.58Å; L1996-A2006 WeakPolarHBondContact CA-O 3.38Å; L1996-W2015 HydrophobicContact CD2-CH2 4.45Å; L1996-W2015 HydrophobicContact CD2-CZ3 3.98Å |
| 1997 | T | 68.1 | Low | 59.6 | Low | 48 Ų | 48 | 39.7 Ų | 39.7 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 129 | -179.4 | -62.9 | 0 | 0 | 0 | 0 | 109.5 | A2006 | T1997-A2006 PolarHBondContact N-O 2.9Å; T1997-A2006 PolarHBondContact O-N 2.7Å |
| 1998 | W | 69.1 | Low | 60.3 | Low | 22 Ų | 22 | 41 Ų | 41 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 153.1 | 172.7 | -72 | 95.2 | 0 | 0 | 0 | 111.7 | F1880 Q1881 P1882 I1891 V1893 G2002 L2004 L2005 F2017 | F1880-W1998 VanDerWaalsContact C-CD1 3.43Å; F1880-W1998 VanDerWaalsContact C-NE1 3.34Å; F1880-W1998 PolarHBondContact O-NE1 3.27Å; Q1881-W1998 HydrophobicContact CB-CD2 4.32Å; Q1881-W1998 HydrophobicContact CB-CH2 4.25Å; Q1881-W1998 HydrophobicContact CB-CZ2 3.86Å; Q1881-W1998 HydrophobicContact CG-CD2 4.21Å; Q1881-W1998 HydrophobicContact CG-CE3 4.11Å; Q1881-W1998 HydrophobicContact CG-CH2 3.99Å; Q1881-W1998 HydrophobicContact CG-CZ2 4.1Å; Q1881-W1998 HydrophobicContact CG-CZ3 4.01Å; P1882-W1998 HydrophobicContact CG-CB 4.17Å; I1891-W1998 HydrophobicContact CG2-CZ2 4.3Å; V1893-W1998 HydrophobicContact CG2-CZ2 3.53Å; W1998-G2002 WeakPolarHBondContact CZ3-O 3.38Å; W1998-L2004 CarbonylContact C-O 3.58Å; W1998-L2004 WeakPolarHBondContact CA-O 3.36Å; W1998-L2005 HydrophobicContact CD2-CB 4.28Å; W1998-L2005 HydrophobicContact CD2-CD1 3.88Å; W1998-L2005 HydrophobicContact CE3-CB 4.07Å; W1998-L2005 HydrophobicContact CG-CD1 3.98Å; W1998-L2005 HydrophobicContact CZ3-CB 4.25Å; W1998-F2017 HydrophobicContact CH2-CB 4.31Å; W1998-F2017 AromaticContact CH2-CD1 3.75Å; W1998-F2017 HydrophobicContact CH2-CD1 3.75Å; W1998-F2017 AromaticContact CH2-CD2 3.57Å; W1998-F2017 HydrophobicContact CH2-CD2 3.57Å; W1998-F2017 AromaticContact CH2-CE1 3.8Å; W1998-F2017 HydrophobicContact CH2-CE1 3.8Å; W1998-F2017 AromaticContact CH2-CE2 3.63Å; W1998-F2017 HydrophobicContact CH2-CE2 3.63Å; W1998-F2017 AromaticContact CH2-CG 3.62Å; W1998-F2017 HydrophobicContact CH2-CG 3.62Å; W1998-F2017 AromaticContact CH2-CZ 3.72Å; W1998-F2017 HydrophobicContact CH2-CZ 3.72Å; W1998-F2017 HydrophobicContact CZ2-CE2 4.35Å; W1998-F2017 HydrophobicContact CZ2-CZ 4.3Å; W1998-F2017 HydrophobicContact CZ3-CB 3.92Å; W1998-F2017 HydrophobicContact CZ3-CD1 4.23Å; W1998-F2017 AromaticContact CZ3-CD2 3.51Å; W1998-F2017 HydrophobicContact CZ3-CD2 3.51Å; W1998-F2017 AromaticContact CZ3-CE2 3.98Å; W1998-F2017 HydrophobicContact CZ3-CE2 3.98Å; W1998-F2017 AromaticContact CZ3-CG 3.63Å; W1998-F2017 HydrophobicContact CZ3-CG 3.63Å; W1998-F2017 HydrophobicContact CZ3-CZ 4.5Å |
| 1999 | S | 58.6 | Low | 61.2 | Low | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | trans | -65.1 | 156.1 | 163.3 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | P1882 D2001 G2002 R2003 L2004 | P1882-S1999 VanDerWaalsContact CG-O 3.23Å; P1882-S1999 WeakPolarHBondContact CG-O 3.37Å; S1999-D2001 VanDerWaalsContact CB-OD1 3.32Å; S1999-D2001 WeakPolarHBondContact CB-OD1 3.01Å; S1999-D2001 PolarHBondContact O-N 3.44Å; S1999-D2001 PolarHBondContact OG-OD1 3.35Å; S1999-G2002 PolarHBondContact O-N 3.36Å; S1999-R2003 PolarHBondContact OG-N 2.97Å; S1999-L2004 PolarHBondContact N-O 3.28Å; S1999-L2004 PolarHBondContact OG-N 3.04Å; S1999-L2004 PolarHBondContact OG-O 3.04Å | ||
| 2000 | P | 58.3 | Low | 61.6 | Low | 122 Ų | 122 | 45.5 Ų | 45.5 | 79% | 0.792 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.5 | -178.3 | -25.6 | 35.7 | 0 | 0 | 0 | 114.8 | ||
| 2001 | D | 57.8 | Low | 61.5 | Low | 54 Ų | 54 | 44.9 Ų | 44.9 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -6.9 | 176.8 | 75.5 | -25.9 | 0 | 0 | 0 | 113.7 | V1883 S1999 R2003 | V1883-D2001 WeakPolarHBondContact CG2-O 3.45Å; S1999-D2001 VanDerWaalsContact CB-OD1 3.32Å; S1999-D2001 WeakPolarHBondContact CB-OD1 3.01Å; S1999-D2001 PolarHBondContact O-N 3.44Å; S1999-D2001 PolarHBondContact OG-OD1 3.35Å; D2001-R2003 VanDerWaalsContact C-N 3.31Å; D2001-R2003 PolarHBondContact O-N 2.91Å; D2001-R2003 PolarHBondContact OD1-N 3.28Å; D2001-R2003 VanDerWaalsContact OD1-N 3.12Å; D2001-R2003 WeakPolarHBondContact OD2-CB 3.49Å; D2001-R2003 VanDerWaalsContact OD2-CD 3.26Å; D2001-R2003 WeakPolarHBondContact OD2-CD 3.46Å; D2001-R2003 VanDerWaalsContact OD2-CG 3.24Å; D2001-R2003 WeakPolarHBondContact OD2-CG 3.47Å; D2001-R2003 IonicContact OD2-CZ 3.7Å; D2001-R2003 IonicContact OD2-NE 3.12Å; D2001-R2003 IonicContact OD2-NH1 2.61Å; D2001-R2003 PolarHBondContact OD2-NH1 3.4Å |
| 2002 | G | 63.1 | Low | 61.5 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 72.3 | 12.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1881 W1998 S1999 | Q1881-G2002 PolarHBondContact NE2-O 2.95Å; W1998-G2002 WeakPolarHBondContact CZ3-O 3.38Å; S1999-G2002 PolarHBondContact O-N 3.36Å |
| 2003 | R | 63.8 | Low | 61.3 | Low | 133 Ų | 133 | 37.6 Ų | 37.6 | 50% | 0.502 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -93.4 | -17 | 179.4 | -63.5 | -170.8 | -175.6 | 123.5 | -6.2 | 115.2 | S1999 D2001 F2017 | S1999-R2003 PolarHBondContact OG-N 2.97Å; D2001-R2003 VanDerWaalsContact C-N 3.31Å; D2001-R2003 PolarHBondContact O-N 2.91Å; D2001-R2003 PolarHBondContact OD1-N 3.28Å; D2001-R2003 VanDerWaalsContact OD1-N 3.12Å; D2001-R2003 WeakPolarHBondContact OD2-CB 3.49Å; D2001-R2003 VanDerWaalsContact OD2-CD 3.26Å; D2001-R2003 WeakPolarHBondContact OD2-CD 3.46Å; D2001-R2003 VanDerWaalsContact OD2-CG 3.24Å; D2001-R2003 WeakPolarHBondContact OD2-CG 3.47Å; D2001-R2003 IonicContact OD2-CZ 3.7Å; D2001-R2003 IonicContact OD2-NE 3.12Å; D2001-R2003 IonicContact OD2-NH1 2.61Å; D2001-R2003 PolarHBondContact OD2-NH1 3.4Å; R2003-F2017 PolarHBondContact O-N 3.01Å |
| 2004 | L | 64.9 | Low | 61.2 | Low | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.9 | 175.3 | -57.4 | 174.6 | 0 | 0 | 0 | 109.3 | W1998 S1999 V2014 P2016 L2111 T2114 | W1998-L2004 CarbonylContact C-O 3.58Å; W1998-L2004 WeakPolarHBondContact CA-O 3.36Å; S1999-L2004 PolarHBondContact N-O 3.28Å; S1999-L2004 PolarHBondContact OG-N 3.04Å; S1999-L2004 PolarHBondContact OG-O 3.04Å; L2004-V2014 HydrophobicContact CB-CG1 4.26Å; L2004-V2014 HydrophobicContact CD2-CG1 4.3Å; L2004-P2016 HydrophobicContact CD2-CB 4.35Å; L2004-L2111 HydrophobicContact CD1-CD2 4.38Å; L2004-T2114 HydrophobicContact CD1-CG2 4.32Å |
| 2005 | L | 68.8 | Low | 61.1 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.9 | 163.8 | 177.2 | 76.2 | 0 | 0 | 0 | 108.3 | V1893 L1901 L1996 W1998 V2014 W2015 F2017 | V1893-L2005 HydrophobicContact CB-CD2 4.33Å; V1893-L2005 HydrophobicContact CG1-CD2 3.73Å; V1893-L2005 HydrophobicContact CG2-CD1 4.47Å; V1893-L2005 HydrophobicContact CG2-CD2 4.14Å; L1901-L2005 HydrophobicContact CD1-CD2 3.89Å; L1901-L2005 HydrophobicContact CD2-CD2 4.27Å; L1996-L2005 HydrophobicContact CB-CD1 4.49Å; L1996-L2005 HydrophobicContact CD2-CD2 4.48Å; W1998-L2005 HydrophobicContact CD2-CB 4.28Å; W1998-L2005 HydrophobicContact CD2-CD1 3.88Å; W1998-L2005 HydrophobicContact CE3-CB 4.07Å; W1998-L2005 HydrophobicContact CG-CD1 3.98Å; W1998-L2005 HydrophobicContact CZ3-CB 4.25Å; L2005-V2014 CarbonylContact O-C 3.59Å; L2005-V2014 WeakPolarHBondContact O-CA 3.21Å; L2005-W2015 HydrophobicContact CB-CB 4.42Å; L2005-W2015 HydrophobicContact CB-CE3 4.31Å; L2005-W2015 HydrophobicContact CD2-CD2 4.43Å; L2005-W2015 HydrophobicContact CD2-CE3 3.72Å; L2005-W2015 HydrophobicContact CD2-CZ3 4.24Å; L2005-W2015 HydrophobicContact CG-CE3 3.9Å; L2005-W2015 HydrophobicContact CG-CZ3 4.41Å; L2005-W2015 PolarHBondContact N-O 2.83Å; L2005-W2015 PolarHBondContact O-N 3.5Å; L2005-F2017 HydrophobicContact CB-CD2 4.02Å; L2005-F2017 HydrophobicContact CB-CE2 3.78Å; L2005-F2017 HydrophobicContact CD2-CE2 4.02Å |
| 2006 | A | 63.8 | Low | 60.6 | Low | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1996 T1997 L2012 C2013 V2014 L2125 I2127 | L1996-A2006 CarbonylContact C-O 3.58Å; L1996-A2006 WeakPolarHBondContact CA-O 3.38Å; T1997-A2006 PolarHBondContact N-O 2.9Å; T1997-A2006 PolarHBondContact O-N 2.7Å; A2006-L2012 HydrophobicContact CB-CD1 4.28Å; A2006-C2013 CarbonylContact C-O 3.5Å; A2006-C2013 VanDerWaalsContact CA-O 3.32Å; A2006-C2013 WeakPolarHBondContact CA-O 3.43Å; A2006-V2014 HydrophobicContact CB-CG2 4.34Å; A2006-L2125 HydrophobicContact CB-CD1 3.7Å; A2006-L2125 HydrophobicContact CB-CD2 3.71Å; A2006-L2125 HydrophobicContact CB-CG 4.38Å; A2006-I2127 HydrophobicContact CB-CD1 4.46Å |
| 2007 | G | 61 | Low | 59.8 | Low | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1995 C2013 | K1995-G2007 CarbonylContact O-C 3.45Å; K1995-G2007 VanDerWaalsContact O-CA 3.26Å; K1995-G2007 WeakPolarHBondContact O-CA 3.37Å; G2007-C2013 PolarHBondContact N-O 3.12Å; G2007-C2013 PolarHBondContact O-N 3Å |
| 2008 | L | 56.1 | Low | 58.8 | Low | 29 Ų | 29 | 31.8 Ų | 31.8 | 15% | 0.152 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.9 | -178 | -161.6 | 74.4 | 0 | 0 | 0 | 110.9 | L1993 H1994 K1995 L2012 V2071 V2118 | L1993-L2008 CarbonylContact C-O 3.57Å; H1994-L2008 PolarHBondContact N-O 3.42Å; K1995-L2008 HydrophobicContact CB-CB 4.34Å; K1995-L2008 PolarHBondContact N-O 3.02Å; K1995-L2008 PolarHBondContact O-N 2.74Å; L2008-L2012 HydrophobicContact CD1-CB 4.32Å; L2008-L2012 HydrophobicContact CD1-CD1 4.49Å; L2008-V2071 HydrophobicContact CD1-CG2 4.31Å; L2008-V2118 HydrophobicContact CD1-CG1 3.93Å; L2008-V2118 HydrophobicContact CD1-CG2 4.19Å; L2008-V2118 HydrophobicContact CD2-CG1 4.08Å |
| 2009 | S | 61.6 | Low | 57.4 | Low | 14 Ų | 14 | 33.2 Ų | 33.2 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -129.8 | -156.2 | 163.7 | 64.4 | 0 | 0 | 0 | 0 | 107.9 | W1992 R2011 | W1992-S2009 VanDerWaalsContact O-CA 3.24Å; W1992-S2009 WeakPolarHBondContact O-CA 3.47Å; W1992-S2009 WeakPolarHBondContact O-CB 3.27Å; S2009-R2011 CarbonylContact C-O 3.53Å; S2009-R2011 PolarHBondContact N-O 3.35Å; S2009-R2011 PolarHBondContact O-N 2.89Å; S2009-R2011 PolarHBondContact OG-N 3.43Å; S2009-R2011 PolarHBondContact OG-O 3.26Å |
| 2010 | D | 49.2 | Very low | 56.1 | Low | 113 Ų | 113 | 36.5 Ų | 36.5 | 60% | 0.604 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -46.1 | -22.1 | 157.2 | -58.9 | 36.5 | 0 | 0 | 0 | 113.4 | T1991 | T1991-D2010 WeakPolarHBondContact CB-OD1 3.41Å; T1991-D2010 HydrophobicContact CG2-CB 3.97Å; T1991-D2010 WeakPolarHBondContact CG2-OD2 3.4Å |
| 2011 | R | 45.2 | Very low | 54.7 | Low | 55 Ų | 55 | 38.2 Ų | 38.2 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -126.1 | 151.3 | 170.5 | -59.1 | -173.5 | 176.3 | -165.2 | -2.6 | 110.7 | S2009 V2068 | S2009-R2011 CarbonylContact C-O 3.53Å; S2009-R2011 PolarHBondContact N-O 3.35Å; S2009-R2011 PolarHBondContact O-N 2.89Å; S2009-R2011 PolarHBondContact OG-N 3.43Å; S2009-R2011 PolarHBondContact OG-O 3.26Å; R2011-V2068 HydrophobicContact CB-CG1 3.96Å; R2011-V2068 HydrophobicContact CG-CG1 4.47Å |
| 2012 | L | 51.3 | Low | 53.3 | Low | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 132.4 | 164.7 | 169.6 | 65.4 | 0 | 0 | 0 | 108.6 | A2006 L2008 V2014 V2068 L2069 V2071 V2116 V2118 L2125 | A2006-L2012 HydrophobicContact CB-CD1 4.28Å; L2008-L2012 HydrophobicContact CD1-CB 4.32Å; L2008-L2012 HydrophobicContact CD1-CD1 4.49Å; L2012-V2014 HydrophobicContact CD1-CG2 4.43Å; L2012-V2014 HydrophobicContact CG-CG2 4.34Å; L2012-V2068 CarbonylContact O-C 3.05Å; L2012-V2068 WeakPolarHBondContact O-CA 3.49Å; L2012-V2068 WeakPolarHBondContact O-CG1 3.12Å; L2012-L2069 HydrophobicContact CB-CB 4.3Å; L2012-L2069 WeakPolarHBondContact CB-O 3.31Å; L2012-L2069 HydrophobicContact CD2-CB 3.84Å; L2012-L2069 HydrophobicContact CD2-CD1 4.02Å; L2012-L2069 HydrophobicContact CG-CB 4.11Å; L2012-L2069 PolarHBondContact N-O 3.16Å; L2012-L2069 PolarHBondContact O-N 3.19Å; L2012-L2069 VanDerWaalsContact O-O 3.13Å; L2012-V2071 HydrophobicContact CB-CG2 3.73Å; L2012-V2116 HydrophobicContact CD2-CB 3.48Å; L2012-V2116 VanDerWaalsContact CD2-CB 3.48Å; L2012-V2116 HydrophobicContact CD2-CG1 3.36Å; L2012-V2116 HydrophobicContact CD2-CG2 4.15Å; L2012-V2118 HydrophobicContact CD2-CG2 4.2Å; L2012-L2125 HydrophobicContact CD1-CD1 3.68Å; L2012-L2125 HydrophobicContact CD1-CD2 4.46Å; L2012-L2125 HydrophobicContact CD1-CG 4.14Å |
| 2013 | C | 57.4 | Low | 51.6 | Low | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139.2 | 175.7 | -71.6 | 0 | 0 | 0 | 0 | 108.7 | A2006 G2007 W2015 C2066 | A2006-C2013 CarbonylContact C-O 3.5Å; A2006-C2013 VanDerWaalsContact CA-O 3.32Å; A2006-C2013 WeakPolarHBondContact CA-O 3.43Å; G2007-C2013 PolarHBondContact N-O 3.12Å; G2007-C2013 PolarHBondContact O-N 3Å; C2013-W2015 HydrophobicContact CB-CH2 3.36Å; C2013-W2015 HydrophobicContact CB-CZ2 3.55Å; C2013-W2015 HydrophobicContact CB-CZ3 3.91Å; C2013-C2066 WeakPolarHBondContact CB-SG 3.43Å |
| 2014 | V | 60.4 | Low | 49.9 | Very low | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.5 | 173.7 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | L2004 L2005 A2006 L2012 C2066 R2067 L2069 | L2004-V2014 HydrophobicContact CB-CG1 4.26Å; L2004-V2014 HydrophobicContact CD2-CG1 4.3Å; L2005-V2014 CarbonylContact O-C 3.59Å; L2005-V2014 WeakPolarHBondContact O-CA 3.21Å; A2006-V2014 HydrophobicContact CB-CG2 4.34Å; L2012-V2014 HydrophobicContact CD1-CG2 4.43Å; L2012-V2014 HydrophobicContact CG-CG2 4.34Å; V2014-C2066 CarbonylContact O-C 3.52Å; V2014-C2066 WeakPolarHBondContact O-CA 3.34Å; V2014-R2067 HydrophobicContact CB-CB 4.45Å; V2014-R2067 PolarHBondContact N-O 2.97Å; V2014-R2067 PolarHBondContact O-N 3.23Å; V2014-L2069 HydrophobicContact CG2-CD1 4.05Å |
| 2015 | W | 63.9 | Low | 48.1 | Very low | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.9 | 178.4 | -58.9 | -86.7 | 0 | 0 | 0 | 109.4 | L1901 L1993 L1996 L2005 C2013 F2017 I2063 | L1901-W2015 HydrophobicContact CD1-CD2 4Å; L1901-W2015 HydrophobicContact CD1-CE3 3.72Å; L1901-W2015 HydrophobicContact CD1-CH2 3.27Å; L1901-W2015 HydrophobicContact CD1-CZ2 3.55Å; L1901-W2015 HydrophobicContact CD1-CZ3 3.34Å; L1993-W2015 HydrophobicContact CD2-CH2 4.14Å; L1996-W2015 HydrophobicContact CD2-CH2 4.45Å; L1996-W2015 HydrophobicContact CD2-CZ3 3.98Å; L2005-W2015 HydrophobicContact CB-CB 4.42Å; L2005-W2015 HydrophobicContact CB-CE3 4.31Å; L2005-W2015 HydrophobicContact CD2-CD2 4.43Å; L2005-W2015 HydrophobicContact CD2-CE3 3.72Å; L2005-W2015 HydrophobicContact CD2-CZ3 4.24Å; L2005-W2015 HydrophobicContact CG-CE3 3.9Å; L2005-W2015 HydrophobicContact CG-CZ3 4.41Å; L2005-W2015 PolarHBondContact N-O 2.83Å; L2005-W2015 PolarHBondContact O-N 3.5Å; C2013-W2015 HydrophobicContact CB-CH2 3.36Å; C2013-W2015 HydrophobicContact CB-CZ2 3.55Å; C2013-W2015 HydrophobicContact CB-CZ3 3.91Å; W2015-F2017 HydrophobicContact CB-CE2 4.46Å; W2015-I2063 HydrophobicContact CB-CG2 4.04Å; W2015-I2063 HydrophobicContact CG-CG2 4.41Å |
| 2016 | P | 56.3 | Low | 46.5 | Very low | 7 Ų | 7 | 58.7 Ų | 58.7 | 5% | 0.045 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 137.9 | 167.5 | -16.9 | 29.8 | 0 | 0 | 0 | 111.4 | L2004 Q2064 | L2004-P2016 HydrophobicContact CD2-CB 4.35Å; P2016-Q2064 HydrophobicContact CB-CB 3.98Å; P2016-Q2064 HydrophobicContact CB-CG 4.21Å; P2016-Q2064 HydrophobicContact CG-CB 3.92Å |
| 2017 | F | 57.4 | Low | 44.7 | Very low | 19 Ų | 19 | 65.7 Ų | 65.7 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -121.3 | 102.1 | 172.4 | -89.2 | -96.4 | 0 | 0 | 0 | 108.5 | V1903 W1998 R2003 L2005 W2015 I2063 | V1903-F2017 HydrophobicContact CG1-CE1 4.03Å; V1903-F2017 HydrophobicContact CG1-CZ 4.07Å; V1903-F2017 HydrophobicContact CG2-CZ 3.97Å; W1998-F2017 HydrophobicContact CH2-CB 4.31Å; W1998-F2017 AromaticContact CH2-CD1 3.75Å; W1998-F2017 HydrophobicContact CH2-CD1 3.75Å; W1998-F2017 AromaticContact CH2-CD2 3.57Å; W1998-F2017 HydrophobicContact CH2-CD2 3.57Å; W1998-F2017 AromaticContact CH2-CE1 3.8Å; W1998-F2017 HydrophobicContact CH2-CE1 3.8Å; W1998-F2017 AromaticContact CH2-CE2 3.63Å; W1998-F2017 HydrophobicContact CH2-CE2 3.63Å; W1998-F2017 AromaticContact CH2-CG 3.62Å; W1998-F2017 HydrophobicContact CH2-CG 3.62Å; W1998-F2017 AromaticContact CH2-CZ 3.72Å; W1998-F2017 HydrophobicContact CH2-CZ 3.72Å; W1998-F2017 HydrophobicContact CZ2-CE2 4.35Å; W1998-F2017 HydrophobicContact CZ2-CZ 4.3Å; W1998-F2017 HydrophobicContact CZ3-CB 3.92Å; W1998-F2017 HydrophobicContact CZ3-CD1 4.23Å; W1998-F2017 AromaticContact CZ3-CD2 3.51Å; W1998-F2017 HydrophobicContact CZ3-CD2 3.51Å; W1998-F2017 AromaticContact CZ3-CE2 3.98Å; W1998-F2017 HydrophobicContact CZ3-CE2 3.98Å; W1998-F2017 AromaticContact CZ3-CG 3.63Å; W1998-F2017 HydrophobicContact CZ3-CG 3.63Å; W1998-F2017 HydrophobicContact CZ3-CZ 4.5Å; R2003-F2017 PolarHBondContact O-N 3.01Å; L2005-F2017 HydrophobicContact CB-CD2 4.02Å; L2005-F2017 HydrophobicContact CB-CE2 3.78Å; L2005-F2017 HydrophobicContact CD2-CE2 4.02Å; W2015-F2017 HydrophobicContact CB-CE2 4.46Å; F2017-I2063 HydrophobicContact CE1-CD1 4.27Å; F2017-I2063 HydrophobicContact CE1-CG1 4.33Å; F2017-I2063 HydrophobicContact CZ-CD1 3.91Å; F2017-I2063 HydrophobicContact CZ-CG1 4.33Å | ||
| 2018 | E | 46.9 | Very low | 43 | Very low | 72 Ų | 72 | 73.1 Ų | 73.1 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | trans | -105.2 | 136.5 | 171.7 | -66.4 | -178.1 | 128.2 | 0 | 0 | 110.1 | I2020 Q2064 | E2018-I2020 PolarHBondContact O-N 3.4Å; E2018-Q2064 PolarHBondContact OE2-NE2 2.9Å | ||
| 2019 | S | 39 | Very low | 41.7 | Very low | 53 Ų | 53 | 78.8 Ų | 78.8 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | trans | -81 | 88.8 | 171.3 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | E1885 Q2021 | E1885-S2019 PolarHBondContact OE2-OG 3.15Å; S2019-Q2021 PolarHBondContact O-N 3.21Å | ||
| 2020 | I | 32.5 | Very low | 40 | Very low | 74 Ų | 74 | 82 Ų | 82 | 38% | 0.379 | 43% | 0.429 | S | S | . | . | trans | -65.3 | 94.3 | 175 | -54.9 | 179.9 | 0 | 0 | 0 | 109.5 | E2018 Q2022 E2062 | E2018-I2020 PolarHBondContact O-N 3.4Å; I2020-Q2022 VanDerWaalsContact C-N 3.27Å; I2020-Q2022 HydrophobicContact CG2-CG 4.07Å; I2020-Q2022 PolarHBondContact O-N 2.99Å; I2020-E2062 HydrophobicContact CD1-CB 4.34Å | ||
| 2021 | Q | 27.9 | Very low | 38.9 | Very low | 157 Ų | 157 | 83.4 Ų | 83.4 | 73% | 0.734 | 44% | 0.436 | S | S | * | . | trans | -77.4 | 74 | 170.3 | -70.4 | -166.7 | -0.9 | 0 | 0 | 110.8 | S2019 F2023 | S2019-Q2021 PolarHBondContact O-N 3.21Å; Q2021-F2023 PolarHBondContact O-N 3.02Å; Q2021-F2023 VanDerWaalsContact O-N 3.13Å | ||
| 2022 | Q | 28 | Very low | 38 | Very low | 110 Ų | 110 | 88 Ų | 88 | 51% | 0.514 | 47% | 0.465 | S | S | . | . | trans | -71.1 | 101.2 | 161 | -84.6 | -164.5 | -78.9 | 0 | 0 | 109.8 | I2020 D2024 | I2020-Q2022 VanDerWaalsContact C-N 3.27Å; I2020-Q2022 HydrophobicContact CG2-CG 4.07Å; I2020-Q2022 PolarHBondContact O-N 2.99Å; Q2022-D2024 PolarHBondContact NE2-OD2 3.28Å | ||
| 2023 | F | 28.3 | Very low | 36.8 | Very low | 189 Ų | 189 | 93.8 Ų | 93.8 | 83% | 0.829 | 51% | 0.506 | S | S | * | . | trans | -104.3 | 59.4 | 163.5 | -94.6 | -74.7 | 0 | 0 | 0 | 110.3 | Q2021 L2025 | Q2021-F2023 PolarHBondContact O-N 3.02Å; Q2021-F2023 VanDerWaalsContact O-N 3.13Å; F2023-L2025 PolarHBondContact O-N 3.27Å | ||
| 2024 | D | 27.9 | Very low | 35.4 | Very low | 105 Ų | 105 | 99 Ų | 99 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | trans | -87.2 | 100 | 178.8 | -77.8 | -54.9 | 0 | 0 | 0 | 112.7 | Q2022 | Q2022-D2024 PolarHBondContact NE2-OD2 3.28Š| ||
| 2025 | L | 27.4 | Very low | 33.8 | Very low | 128 Ų | 128 | 105.6 Ų | 105.6 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | trans | 67.9 | 177 | 137.7 | -56.7 | 166.3 | 0 | 0 | 0 | 117 | F2023 | F2023-L2025 PolarHBondContact O-N 3.27Š| ||
| 2026 | P | 35.7 | Very low | 32 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | -134.4 | -168.4 | -71.7 | 41.4 | -26 | 0 | 0 | 0 | 113.7 | |||||
| 2027 | N | 24.7 | Very low | 30.6 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | trans | 93.7 | 162.3 | 162.5 | -58.5 | -19.5 | 0 | 0 | 0 | 119.6 | ||||
| 2028 | D | 26.3 | Very low | 29.3 | Very low | 156 Ų | 156 | 121.6 Ų | 121.6 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | trans | 83.6 | 123.7 | 170 | -61.8 | -6.8 | 0 | 0 | 0 | 119.5 | ||||
| 2029 | D | 28.3 | Very low | 28.2 | Very low | 147 Ų | 147 | 123.4 Ų | 123.4 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | 52.7 | 105.1 | 175.5 | -65.2 | -35.4 | 0 | 0 | 0 | 120.2 | ||||
| 2030 | S | 26.3 | Very low | 27.5 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 57% | 0.573 | 72% | 0.718 | S | S | * | * | cis | 88.2 | 140.6 | 34 | 96 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2031 | N | 25 | Very low | 27.2 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 71.6 | 127.1 | -176 | -40 | -63.6 | 0 | 0 | 0 | 114.1 | ||||
| 2032 | D | 27.3 | Very low | 27 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | cis | -133.4 | 124.8 | 12.7 | -81.6 | -50.6 | 0 | 0 | 0 | 112.9 | ||||
| 2033 | S | 25.3 | Very low | 26.9 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -150.2 | 37.4 | 166.1 | 78.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 2034 | S | 29 | Very low | 26.7 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -159 | 116.4 | 160.4 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2035 | D | 25.7 | Very low | 26.6 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -65.5 | 139.1 | 160.8 | -125.8 | -37.3 | 0 | 0 | 0 | 110 | ||||
| 2036 | N | 26.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | trans | 68.2 | 102.9 | 155.9 | -62.2 | -61.8 | 0 | 0 | 0 | 122.2 | ||||
| 2037 | T | 26.8 | Very low | 25.9 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | 91.2 | 132.7 | 123.1 | 63.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 2038 | S | 30.4 | Very low | 26 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 91.1 | 125.3 | 152.1 | 74.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2039 | S | 22.9 | Very low | 25.9 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -69.8 | 157 | 165.6 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2040 | P | 26.1 | Very low | 25.7 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | -140.5 | 156 | 51.5 | 31.3 | -8.8 | 0 | 0 | 0 | 115.4 | |||||
| 2041 | A | 24.3 | Very low | 25.6 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | 77.8 | 124.3 | 67.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 2042 | T | 24.8 | Very low | 25.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | trans | 61.4 | 116.2 | 152.3 | 54.6 | 0 | 0 | 0 | 0 | 122.9 | I2044 | T2042-I2044 HydrophobicContact CG2-CD1 4.14Š| ||
| 2043 | F | 26.5 | Very low | 25.6 | Very low | 209 Ų | 209 | 139 Ų | 139 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | 177.5 | 81.5 | 131.4 | -99.2 | -64.8 | 0 | 0 | 0 | 108.8 | ||||
| 2044 | I | 23.9 | Very low | 25.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | 54.8 | 99.7 | 70.2 | -52.6 | -177.9 | 0 | 0 | 0 | 115.2 | T2042 | T2042-I2044 HydrophobicContact CG2-CD1 4.14Š| |||
| 2045 | R | 25.1 | Very low | 25.6 | Very low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -170.3 | 105.9 | 135 | -98.5 | 164.5 | -172.3 | -170.4 | 2.1 | 106.4 | ||||
| 2046 | H | 23.7 | Very low | 25.7 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 43.8 | 122.3 | 90.9 | -61.8 | -65.9 | 0 | 0 | 0 | 112.2 | |||||
| 2047 | V | 25.8 | Very low | 25.7 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | -136.7 | 156.8 | 58.1 | 171.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2048 | S | 25 | Very low | 25.8 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -64.7 | 171.8 | 177.1 | 51.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2049 | V | 24.5 | Very low | 25.7 | Very low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | cis | -173.9 | 146.3 | -13.3 | 140.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 2050 | Q | 25.3 | Very low | 26.1 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | 166.3 | 105.4 | 136.3 | -92.2 | -168.3 | -12.6 | 0 | 0 | 113.5 | ||||
| 2051 | D | 23.9 | Very low | 26.8 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | trans | 16.7 | 103.6 | 150.2 | -47.2 | -24.8 | 0 | 0 | 0 | 120.7 | ||||
| 2052 | K | 27 | Very low | 27.5 | Very low | 206 Ų | 206 | 135 Ų | 135 | 90% | 0.896 | 71% | 0.709 | S | S | * | * | trans | -138 | 131.1 | 141 | -74.3 | -169.4 | -179.5 | 174.4 | 0 | 110.3 | ||||
| 2053 | V | 25.7 | Very low | 28.4 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 133.2 | 177.5 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | A2055 | V2053-A2055 PolarHBondContact O-N 3.05Š|
| 2054 | P | 25.5 | Very low | 29.3 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 75% | 0.747 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 123.2 | 171.3 | 28.3 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 2055 | A | 27.9 | Very low | 30.2 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 138.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V2053 N2057 | V2053-A2055 PolarHBondContact O-N 3.05Å; A2055-N2057 PolarHBondContact O-N 3.43Å |
| 2056 | L | 27.2 | Very low | 31.1 | Very low | 164 Ų | 164 | 112.3 Ų | 112.3 | 86% | 0.859 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 120.5 | 167.4 | -86.2 | 69.9 | 0 | 0 | 0 | 108.9 | T2058 | L2056-T2058 PolarHBondContact O-N 3.5Š|
| 2057 | N | 28.2 | Very low | 31.9 | Very low | 162 Ų | 162 | 106.6 Ų | 106.6 | 87% | 0.866 | 58% | 0.581 | S | S | * | * | trans | -69.2 | 103.3 | 172 | -81 | -23.7 | 0 | 0 | 0 | 109.3 | A2055 | A2055-N2057 PolarHBondContact O-N 3.43Š| ||
| 2058 | T | 27.2 | Very low | 32.3 | Very low | 96 Ų | 96 | 100.7 Ų | 100.7 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | trans | -71.8 | 143.1 | 170.2 | 52.4 | 0 | 0 | 0 | 0 | 110.4 | L2056 K2060 | L2056-T2058 PolarHBondContact O-N 3.5Å; T2058-K2060 PolarHBondContact O-N 3.36Å | ||
| 2059 | P | 29.2 | Very low | 32.8 | Very low | 58 Ų | 58 | 97.8 Ų | 97.8 | 38% | 0.377 | 52% | 0.521 | S | S | . | . | trans | -57.1 | 124.4 | 176.5 | 23.3 | -33.6 | 0 | 0 | 0 | 110.9 | Y1982 F2061 | Y1982-P2059 PolarHBondContact OH-O 2.98Å; P2059-F2061 PolarHBondContact O-N 3.11Å | ||
| 2060 | K | 31 | Very low | 32.9 | Very low | 119 Ų | 119 | 96 Ų | 96 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | trans | -85.1 | 106.8 | 175 | -73.8 | -178.6 | 175.8 | -179 | 0 | 109.4 | T2058 E2062 | T2058-K2060 PolarHBondContact O-N 3.36Å; K2060-E2062 HydrophobicContact CB-CG 4.32Å; K2060-E2062 PolarHBondContact O-N 2.76Å; K2060-E2062 VanDerWaalsContact O-N 3.14Å | ||
| 2061 | F | 40.7 | Very low | 33.2 | Very low | 57 Ų | 57 | 89.6 Ų | 89.6 | 25% | 0.25 | 48% | 0.475 | C | S | . | . | trans | -71.6 | 98 | 156 | -76.1 | -83.1 | 0 | 0 | 0 | 108.4 | I1891 Y1982 P2059 | I1891-F2061 HydrophobicContact CD1-CZ 4.38Å; Y1982-F2061 HydrophobicContact CD1-CB 3.83Å; Y1982-F2061 HydrophobicContact CE1-CB 3.99Å; Y1982-F2061 HydrophobicContact CE1-CD2 4.26Å; P2059-F2061 PolarHBondContact O-N 3.11Å | ||
| 2062 | E | 38.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 89.2 Ų | 89.2 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | trans | -86.6 | 120.4 | 166.3 | -65.2 | -153.3 | 159.2 | 0 | 0 | 109.6 | I2020 K2060 Q2064 | I2020-E2062 HydrophobicContact CD1-CB 4.34Å; K2060-E2062 HydrophobicContact CB-CG 4.32Å; K2060-E2062 PolarHBondContact O-N 2.76Å; K2060-E2062 VanDerWaalsContact O-N 3.14Å; E2062-Q2064 PolarHBondContact O-N 3.12Å | ||
| 2063 | I | 45.4 | Very low | 33.5 | Very low | 27 Ų | 27 | 83.7 Ų | 83.7 | 14% | 0.138 | 46% | 0.459 | C | S | . | . | trans | -75.3 | 115.7 | 170.5 | -52.7 | -173.2 | 0 | 0 | 0 | 107.2 | V1903 W2015 F2017 | V1903-I2063 HydrophobicContact CB-CD1 4.24Å; V1903-I2063 HydrophobicContact CG2-CD1 3.59Å; W2015-I2063 HydrophobicContact CB-CG2 4.04Å; W2015-I2063 HydrophobicContact CG-CG2 4.41Å; F2017-I2063 HydrophobicContact CE1-CD1 4.27Å; F2017-I2063 HydrophobicContact CE1-CG1 4.33Å; F2017-I2063 HydrophobicContact CZ-CD1 3.91Å; F2017-I2063 HydrophobicContact CZ-CG1 4.33Å | ||
| 2064 | Q | 44.5 | Very low | 33.7 | Very low | 69 Ų | 69 | 79.7 Ų | 79.7 | 32% | 0.322 | 44% | 0.437 | S | S | . | . | trans | -59.2 | 160 | 175.1 | -68.1 | -162.1 | 10.5 | 0 | 0 | 111.1 | P2016 E2018 E2062 | P2016-Q2064 HydrophobicContact CB-CB 3.98Å; P2016-Q2064 HydrophobicContact CB-CG 4.21Å; P2016-Q2064 HydrophobicContact CG-CB 3.92Å; E2018-Q2064 PolarHBondContact OE2-NE2 2.9Å; E2062-Q2064 PolarHBondContact O-N 3.12Å | ||
| 2065 | Q | 43.4 | Very low | 33.8 | Very low | 71 Ų | 71 | 76.1 Ų | 76.1 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | trans | -59.2 | 144.7 | -178.4 | -69 | -144 | 29.5 | 0 | 0 | 112.3 | R2067 | Q2065-R2067 PolarHBondContact O-N 2.75Š| ||
| 2066 | C | 43 | Very low | 33.7 | Very low | 20 Ų | 20 | 75.2 Ų | 75.2 | 14% | 0.135 | 41% | 0.414 | C | S | . | . | trans | -58.2 | 104.2 | 175.6 | 178 | 0 | 0 | 0 | 0 | 111.2 | C2013 V2014 V2068 | C2013-C2066 WeakPolarHBondContact CB-SG 3.43Å; V2014-C2066 CarbonylContact O-C 3.52Å; V2014-C2066 WeakPolarHBondContact O-CA 3.34Å; C2066-V2068 PolarHBondContact O-N 3.23Å | ||
| 2067 | R | 40.1 | Very low | 33.6 | Very low | 45 Ų | 45 | 73.5 Ų | 73.5 | 17% | 0.17 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 95.6 | 164.2 | -68.4 | -176.4 | 176.1 | -163 | -5 | 107.6 | V2014 Q2065 V2088 D2110 L2111 | V2014-R2067 HydrophobicContact CB-CB 4.45Å; V2014-R2067 PolarHBondContact N-O 2.97Å; V2014-R2067 PolarHBondContact O-N 3.23Å; Q2065-R2067 PolarHBondContact O-N 2.75Å; R2067-V2088 HydrophobicContact CG-CG1 4.13Å; R2067-V2088 HydrophobicContact CG-CG2 4.43Å; R2067-V2088 VanDerWaalsContact CZ-CG1 3.47Å; R2067-D2110 IonicContact NH2-OD1 3.92Å; R2067-D2110 PolarHBondContact NH2-OD1 2.78Å; R2067-L2111 PolarHBondContact NH1-O 3.35Å |
| 2068 | V | 34.6 | Very low | 33.4 | Very low | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.5 | 175 | -174 | 0 | 0 | 0 | 0 | 108.4 | R2011 L2012 C2066 L2086 | R2011-V2068 HydrophobicContact CB-CG1 3.96Å; R2011-V2068 HydrophobicContact CG-CG1 4.47Å; L2012-V2068 CarbonylContact O-C 3.05Å; L2012-V2068 WeakPolarHBondContact O-CA 3.49Å; L2012-V2068 WeakPolarHBondContact O-CG1 3.12Å; C2066-V2068 PolarHBondContact O-N 3.23Å; V2068-L2086 HydrophobicContact CB-CD1 4.16Å; V2068-L2086 HydrophobicContact CB-CD2 3.93Å; V2068-L2086 HydrophobicContact CG1-CD1 3.82Å; V2068-L2086 HydrophobicContact CG1-CD2 4.4Å; V2068-L2086 WeakPolarHBondContact O-CB 3.38Å; V2068-L2086 WeakPolarHBondContact O-CD1 3.23Å |
| 2069 | L | 35.7 | Very low | 33.3 | Very low | 38 Ų | 38 | 72.5 Ų | 72.5 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.1 | 175.1 | -67.7 | 174.7 | 0 | 0 | 0 | 109.3 | L2012 V2014 V2116 | L2012-L2069 HydrophobicContact CB-CB 4.3Å; L2012-L2069 WeakPolarHBondContact CB-O 3.31Å; L2012-L2069 HydrophobicContact CD2-CB 3.84Å; L2012-L2069 HydrophobicContact CD2-CD1 4.02Å; L2012-L2069 HydrophobicContact CG-CB 4.11Å; L2012-L2069 PolarHBondContact N-O 3.16Å; L2012-L2069 PolarHBondContact O-N 3.19Å; L2012-L2069 VanDerWaalsContact O-O 3.13Å; V2014-L2069 HydrophobicContact CG2-CD1 4.05Å; L2069-V2116 HydrophobicContact CD1-CB 4.08Å; L2069-V2116 HydrophobicContact CD1-CG2 3.73Å |
| 2070 | R | 27 | Very low | 33 | Very low | 86 Ų | 86 | 75.4 Ų | 75.4 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | trans | -88.8 | 114.4 | 179.4 | -141.3 | -158.8 | -156.9 | 165.3 | 5.9 | 110.1 | L2072 S2083 P2084 L2086 | R2070-L2072 PolarHBondContact O-N 3.08Å; R2070-S2083 VanDerWaalsContact CZ-O 3.23Å; R2070-S2083 PolarHBondContact NH1-O 3.31Å; R2070-S2083 PolarHBondContact NH2-O 3.46Å; R2070-S2083 PolarHBondContact NH2-OG 3.11Å; R2070-P2084 WeakPolarHBondContact CD-O 3.35Å; R2070-P2084 PolarHBondContact NE-O 3.17Å; R2070-P2084 VanDerWaalsContact NH1-C 3.26Å; R2070-L2086 HydrophobicContact CB-CD1 4.11Å | ||
| 2071 | V | 32 | Very low | 32.7 | Very low | 46 Ų | 46 | 71.6 Ų | 71.6 | 28% | 0.279 | 42% | 0.416 | S | S | . | . | trans | -68.8 | 115.7 | 170.6 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | L2008 L2012 S2073 V2118 | L2008-V2071 HydrophobicContact CD1-CG2 4.31Å; L2012-V2071 HydrophobicContact CB-CG2 3.73Å; V2071-S2073 PolarHBondContact O-N 2.61Å; V2071-V2118 HydrophobicContact CG1-CB 3.96Å; V2071-V2118 HydrophobicContact CG2-CB 4.05Å; V2071-V2118 HydrophobicContact CG2-CG2 3.79Å | ||
| 2072 | L | 26.6 | Very low | 32 | Very low | 142 Ų | 142 | 72.1 Ų | 72.1 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | trans | -82.1 | 95.2 | 172 | -69.8 | 172.6 | 0 | 0 | 0 | 109.4 | R2070 S2074 | R2070-L2072 PolarHBondContact O-N 3.08Å; L2072-S2074 PolarHBondContact O-N 3.22Å | ||
| 2073 | S | 29.4 | Very low | 31.4 | Very low | 91 Ų | 91 | 68.3 Ų | 68.3 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | trans | -65.2 | 127 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | V2071 G2075 | V2071-S2073 PolarHBondContact O-N 2.61Å; S2073-G2075 VanDerWaalsContact C-N 3.26Å; S2073-G2075 PolarHBondContact O-N 3.45Å | ||
| 2074 | S | 29.4 | Very low | 30.4 | Very low | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -80.4 | 38.9 | -166.8 | 64.5 | 0 | 0 | 0 | 0 | 116.1 | W1443 R1464 L2072 | W1443-S2074 PolarHBondContact O-OG 3.1Å; R1464-S2074 PolarHBondContact NE-O 3.01Å; R1464-S2074 PolarHBondContact NH2-O 2.74Å; L2072-S2074 PolarHBondContact O-N 3.22Å |
| 2075 | G | 27.9 | Very low | 29.5 | Very low | 41 Ų | 41 | 66.6 Ų | 66.6 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 168.9 | 133.9 | 161 | 0 | 0 | 0 | 0 | 0 | 120.1 | R1464 S2073 | R1464-G2075 VanDerWaalsContact NH2-CA 3.28Å; S2073-G2075 VanDerWaalsContact C-N 3.26Å; S2073-G2075 PolarHBondContact O-N 3.45Å |
| 2076 | A | 26.2 | Very low | 28.7 | Very low | 65 Ų | 65 | 65.6 Ų | 65.6 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | trans | 68.4 | 62.8 | 140 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2077 | C | 25.1 | Very low | 27.8 | Very low | 128 Ų | 128 | 65.6 Ų | 65.6 | 87% | 0.865 | 40% | 0.402 | S | S | * | . | trans | -120.5 | 134.1 | 152.1 | -66.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2078 | N | 24.4 | Very low | 27 | Very low | 88 Ų | 88 | 66.3 Ų | 66.3 | 47% | 0.471 | 41% | 0.411 | S | S | . | . | trans | -94.4 | 163.3 | 178.7 | -82.5 | -8.9 | 0 | 0 | 0 | 111.2 | ||||
| 2079 | L | 24.6 | Very low | 26.5 | Very low | 150 Ų | 150 | 68.1 Ų | 68.1 | 79% | 0.785 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 73 | 122.5 | 159.1 | -64.2 | 143.9 | 0 | 0 | 0 | 118.3 | ||
| 2080 | T | 23.2 | Very low | 25.8 | Very low | 119 Ų | 119 | 70.3 Ų | 70.3 | 73% | 0.73 | 44% | 0.443 | S | S | * | . | trans | 54.1 | 94.7 | 145.1 | 59.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2081 | G | 25.2 | Very low | 25.8 | Very low | 39 Ų | 39 | 68.8 Ų | 68.8 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | trans | 131.4 | 110.2 | 133.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | D1388 | D1388-G2081 PolarHBondContact O-N 3.18Š| ||
| 2082 | T | 25.2 | Very low | 25.4 | Very low | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | trans | 73.3 | 153.3 | 144.7 | 81.7 | 0 | 0 | 0 | 0 | 121.8 | P1027 G1389 | P1027-T2082 HydrophobicContact CB-CG2 3.63Å; P1027-T2082 HydrophobicContact CG-CG2 3.93Å; G1389-T2082 VanDerWaalsContact CA-N 3.31Å | ||
| 2083 | S | 25.7 | Very low | 25.3 | Very low | 36 Ų | 36 | 73 Ų | 73 | 25% | 0.252 | 46% | 0.456 | S | S | . | . | trans | 72 | 156.6 | 167.7 | 77.7 | 0 | 0 | 0 | 0 | 118.4 | I1391 R2070 | I1391-S2083 VanDerWaalsContact CD1-O 3.25Å; I1391-S2083 WeakPolarHBondContact CD1-O 3.36Å; R2070-S2083 VanDerWaalsContact CZ-O 3.23Å; R2070-S2083 PolarHBondContact NH1-O 3.31Å; R2070-S2083 PolarHBondContact NH2-O 3.46Å; R2070-S2083 PolarHBondContact NH2-OG 3.11Å | ||
| 2084 | P | 25.6 | Very low | 25 | Very low | 21 Ų | 21 | 77 Ų | 77 | 14% | 0.136 | 47% | 0.469 | C | S | . | . | trans | -121.4 | 163.7 | -150.4 | 44.1 | -32.6 | 0 | 0 | 0 | 117.1 | V1029 I1391 R2070 | V1029-P2084 HydrophobicContact CG1-CB 3.58Å; V1029-P2084 VanDerWaalsContact CG1-CD 3.49Å; V1029-P2084 HydrophobicContact CG1-CG 3.35Å; I1391-P2084 HydrophobicContact CD1-CB 4.24Å; I1391-P2084 HydrophobicContact CG1-CB 3.94Å; R2070-P2084 WeakPolarHBondContact CD-O 3.35Å; R2070-P2084 PolarHBondContact NE-O 3.17Å; R2070-P2084 VanDerWaalsContact NH1-C 3.26Å | ||
| 2085 | P | 24.7 | Very low | 24.8 | Very low | 40 Ų | 40 | 82.5 Ų | 82.5 | 26% | 0.26 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 146.2 | 150.2 | 33.5 | -33.8 | 0 | 0 | 0 | 110.3 | I1391 | I1391-P2085 HydrophobicContact CB-CG 3.89Å; I1391-P2085 VanDerWaalsContact CG2-CD 3.5Å; I1391-P2085 HydrophobicContact CG2-CG 3.54Å |
| 2086 | L | 26.2 | Very low | 24.7 | Very low | 50 Ų | 50 | 87.4 Ų | 87.4 | 26% | 0.262 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 144.5 | -163.5 | -81.1 | 114.4 | 0 | 0 | 0 | 114.8 | V2068 R2070 | V2068-L2086 HydrophobicContact CB-CD1 4.16Å; V2068-L2086 HydrophobicContact CB-CD2 3.93Å; V2068-L2086 HydrophobicContact CG1-CD1 3.82Å; V2068-L2086 HydrophobicContact CG1-CD2 4.4Å; V2068-L2086 WeakPolarHBondContact O-CB 3.38Å; V2068-L2086 WeakPolarHBondContact O-CD1 3.23Å; R2070-L2086 HydrophobicContact CB-CD1 4.11Å |
| 2087 | M | 23.9 | Very low | 24.6 | Very low | 20 Ų | 20 | 90.8 Ų | 90.8 | 10% | 0.099 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 159.5 | 152 | -76.6 | 173.8 | 136.2 | 0 | 0 | 110.1 | R1354 L1356 L1383 | R1354-M2087 HydrophobicContact CB-CE 4.14Å; R1354-M2087 HydrophobicContact CB-SD 4.34Å; R1354-M2087 HydrophobicContact CG-CE 3.46Å; R1354-M2087 VanDerWaalsContact CG-CE 3.46Å; R1354-M2087 HydrophobicContact CG-SD 3.58Å; R1354-M2087 VanDerWaalsContact CG-SD 3.58Å; L1356-M2087 HydrophobicContact CB-CE 4.33Å; L1356-M2087 HydrophobicContact CD2-CE 3.59Å; L1356-M2087 HydrophobicContact CD2-CG 4.11Å; L1356-M2087 HydrophobicContact CG-CE 3.87Å; L1383-M2087 HydrophobicContact CD1-CE 4.38Å; L1383-M2087 HydrophobicContact CD1-CG 3.67Å; L1383-M2087 HydrophobicContact CD1-SD 4.43Å |
| 2088 | V | 23.6 | Very low | 24.7 | Very low | 59 Ų | 59 | 89.3 Ų | 89.3 | 36% | 0.358 | 50% | 0.504 | S | S | . | . | trans | -108.7 | 115.1 | 157.2 | 169.9 | 0 | 0 | 0 | 0 | 106.1 | R2067 | R2067-V2088 HydrophobicContact CG-CG1 4.13Å; R2067-V2088 HydrophobicContact CG-CG2 4.43Å; R2067-V2088 VanDerWaalsContact CZ-CG1 3.47Å | ||
| 2089 | S | 24.4 | Very low | 24.8 | Very low | 51 Ų | 51 | 92.4 Ų | 92.4 | 36% | 0.357 | 52% | 0.521 | S | S | . | . | trans | -98.7 | 128.9 | -179.6 | 14.7 | 0 | 0 | 0 | 0 | 111.5 | D1032 | D1032-S2089 WeakPolarHBondContact OD1-CB 3.46Å; D1032-S2089 PolarHBondContact OD1-OG 3.43Å | ||
| 2090 | S | 22 | Very low | 24.9 | Very low | 85 Ų | 85 | 93.3 Ų | 93.3 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | trans | -90.5 | 98.7 | 175.5 | 39.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2091 | S | 26.8 | Very low | 25 | Very low | 54 Ų | 54 | 96.5 Ų | 96.5 | 38% | 0.378 | 53% | 0.53 | S | S | . | . | trans | -158.4 | 51 | -175.9 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | S1074 | S1074-S2091 WeakPolarHBondContact O-CB 3.26Å; S1074-S2091 PolarHBondContact O-OG 2.42Å; S1074-S2091 VanDerWaalsContact O-OG 3.1Å | ||
| 2092 | R | 24 | Very low | 25.1 | Very low | 134 Ų | 134 | 101.8 Ų | 101.8 | 51% | 0.506 | 55% | 0.549 | S | S | . | . | trans | -145.1 | 81.1 | 164.5 | -81.8 | -149.1 | 162.2 | -129.9 | -15.5 | 113.7 | D1077 | D1077-R2092 IonicContact OD1-NH2 2.62Å; D1077-R2092 IonicContact OD2-NH2 3.35Å; D1077-R2092 PolarHBondContact OD2-NH2 3.38Å | ||
| 2093 | L | 23.4 | Very low | 25.2 | Very low | 142 Ų | 142 | 108.9 Ų | 108.9 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -164.9 | 73.8 | 156.1 | -116.6 | 174.7 | 0 | 0 | 0 | 111.1 | ||
| 2094 | L | 23.9 | Very low | 25.2 | Very low | 174 Ų | 174 | 110.6 Ų | 110.6 | 91% | 0.911 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 176.4 | 71.2 | 159.9 | -103.3 | 163.8 | 0 | 0 | 0 | 111.9 | ||
| 2095 | E | 24.2 | Very low | 25.1 | Very low | 170 Ų | 170 | 114.5 Ų | 114.5 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | trans | -165.9 | 64.5 | 157.2 | -127.8 | -176.6 | -124.1 | 0 | 0 | 114.7 | ||||
| 2096 | I | 26 | Very low | 25.1 | Very low | 143 Ų | 143 | 120 Ų | 120 | 73% | 0.733 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -138 | 93.5 | 154 | -55.3 | -175.1 | 0 | 0 | 0 | 110.4 | ||
| 2097 | N | 25.3 | Very low | 25.1 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | trans | 51.7 | 105.4 | 141 | -58.1 | -21 | 0 | 0 | 0 | 121 | ||||
| 2098 | S | 26.7 | Very low | 25.4 | Very low | 96 Ų | 96 | 124 Ų | 124 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | 57.4 | 126.1 | 123.7 | 70.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 2099 | N | 25.6 | Very low | 25.8 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | 63 | 73.2 | 150.2 | -57.6 | -19 | 0 | 0 | 0 | 117.3 | ||||
| 2100 | D | 28.1 | Very low | 26.2 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 90% | 0.904 | 68% | 0.678 | S | S | * | * | -151.4 | 169 | 112.6 | -116.8 | -35.1 | 0 | 0 | 0 | 111.5 | |||||
| 2101 | K | 25.6 | Very low | 26.6 | Very low | 187 Ų | 187 | 123.9 Ų | 123.9 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | trans | -107.8 | 147.6 | -173 | -65.7 | 178.8 | -180 | 178.6 | 0 | 112.4 | ||||
| 2102 | N | 25.5 | Very low | 26.8 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 66% | 0.658 | S | S | * | * | trans | 105.1 | 165.6 | 175.1 | -54.6 | -34.9 | 0 | 0 | 0 | 115.1 | ||||
| 2103 | Y | 28.7 | Very low | 27 | Very low | 216 Ų | 216 | 122.3 Ų | 122.3 | 85% | 0.847 | 66% | 0.664 | S | S | * | * | trans | 84.8 | 155.2 | -176.4 | -59.5 | -74.1 | 0 | 0 | 0 | 117.4 | ||||
| 2104 | G | 26 | Very low | 27.5 | Very low | 71 Ų | 71 | 116.4 Ų | 116.4 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | trans | -108.7 | -169.1 | -156 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2105 | P | 23.4 | Very low | 28.2 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | trans | -94.8 | 148.7 | -156.3 | 36.4 | -36.9 | 0 | 0 | 0 | 115.9 | ||||
| 2106 | F | 24.3 | Very low | 28.7 | Very low | 156 Ų | 156 | 106.4 Ų | 106.4 | 68% | 0.684 | 59% | 0.586 | S | S | * | * | trans | 62.9 | 149.1 | 161.8 | -62 | -65.6 | 0 | 0 | 0 | 120.5 | D1365 | D1365-F2106 VanDerWaalsContact OD1-CB 3.32Å; D1365-F2106 WeakPolarHBondContact OD1-CB 3.39Å; D1365-F2106 WeakPolarHBondContact OD2-CB 3.2Å | ||
| 2107 | S | 26.3 | Very low | 29.3 | Very low | 99 Ų | 99 | 102.9 Ų | 102.9 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | trans | 163.8 | 103.4 | 148.5 | 39 | 0 | 0 | 0 | 0 | 109.5 | D1365 | D1365-S2107 VanDerWaalsContact OD2-CA 3.27Å; D1365-S2107 WeakPolarHBondContact OD2-CA 3.48Å; D1365-S2107 PolarHBondContact OD2-N 3.07Å | ||
| 2108 | S | 28.9 | Very low | 29.8 | Very low | 54 Ų | 54 | 97.5 Ų | 97.5 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | trans | -153.4 | 110.7 | 179.1 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | Q1362 | Q1362-S2108 PolarHBondContact NE2-O 2.93Å; Q1362-S2108 PolarHBondContact OE1-O 3.33Å | ||
| 2109 | I | 33.9 | Very low | 30.3 | Very low | 112 Ų | 112 | 93.1 Ų | 93.1 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | trans | -94.6 | 106.8 | -167.7 | -57.2 | 168.1 | 0 | 0 | 0 | 110.7 | ||||
| 2110 | D | 32.4 | Very low | 30.7 | Very low | 46 Ų | 46 | 89.7 Ų | 89.7 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 118.6 | 160.6 | -69 | -69.4 | 0 | 0 | 0 | 108.5 | Q1362 R2067 | Q1362-D2110 HydrophobicContact CG-CB 3.79Å; Q1362-D2110 PolarHBondContact NE2-OD2 3.31Å; R2067-D2110 IonicContact NH2-OD1 3.92Å; R2067-D2110 PolarHBondContact NH2-OD1 2.78Å |
| 2111 | L | 29.9 | Very low | 30.8 | Very low | 34 Ų | 34 | 85.1 Ų | 85.1 | 18% | 0.178 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 131.6 | 167.1 | -74 | 81.7 | 0 | 0 | 0 | 109.5 | L2004 R2067 I2131 | L2004-L2111 HydrophobicContact CD1-CD2 4.38Å; R2067-L2111 PolarHBondContact NH1-O 3.35Å; L2111-I2131 HydrophobicContact CB-CD1 4Å; L2111-I2131 HydrophobicContact CD2-CD1 3.81Å; L2111-I2131 HydrophobicContact CG-CD1 3.72Å |
| 2112 | P | 29.9 | Very low | 31.4 | Very low | 58 Ų | 58 | 78.7 Ų | 78.7 | 38% | 0.377 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 162.6 | 170.1 | 20.6 | -34.9 | 0 | 0 | 0 | 112.8 | T2114 P2130 I2131 | P2112-T2114 PolarHBondContact O-N 2.83Å; P2112-P2130 HydrophobicContact CB-CB 4.4Å; P2112-P2130 HydrophobicContact CB-CG 4.26Å; P2112-P2130 HydrophobicContact CG-CB 4.17Å; P2112-P2130 HydrophobicContact CG-CG 4.31Å; P2112-I2131 HydrophobicContact CG-CD1 3.99Å; P2112-I2131 HydrophobicContact CG-CG1 3.58Å |
| 2113 | P | 30.2 | Very low | 32 | Very low | 97 Ų | 97 | 72.3 Ų | 72.3 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | trans | -60.7 | 101.4 | -169.1 | 23.3 | -35.2 | 0 | 0 | 0 | 112.7 | I2115 P2130 | P2113-I2115 PolarHBondContact O-N 2.74Å; P2113-P2130 WeakPolarHBondContact O-CG 3.39Å | ||
| 2114 | T | 32.4 | Very low | 32.3 | Very low | 18 Ų | 18 | 64 Ų | 64 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | trans | -63 | 104 | 168.2 | 10.2 | 0 | 0 | 0 | 0 | 108 | L2004 P2112 V2116 I2127 F2128 D2129 | L2004-T2114 HydrophobicContact CD1-CG2 4.32Å; P2112-T2114 PolarHBondContact O-N 2.83Å; T2114-V2116 PolarHBondContact O-N 3.35Å; T2114-I2127 HydrophobicContact CG2-CG2 3.55Å; T2114-F2128 CarbonylContact C-O 3.58Å; T2114-F2128 VanDerWaalsContact CA-O 3.3Å; T2114-F2128 WeakPolarHBondContact CA-O 3.45Å; T2114-D2129 HydrophobicContact CG2-CB 4.18Å | ||
| 2115 | I | 38 | Very low | 32.9 | Very low | 111 Ų | 111 | 61.8 Ų | 61.8 | 57% | 0.569 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 110.9 | 177.3 | -58.1 | 172.5 | 0 | 0 | 0 | 105.9 | P2113 T2117 F2128 | P2113-I2115 PolarHBondContact O-N 2.74Å; I2115-T2117 HydrophobicContact CG2-CG2 4.5Å; I2115-F2128 HydrophobicContact CB-CB 4.09Å; I2115-F2128 HydrophobicContact CB-CD2 4.48Å; I2115-F2128 HydrophobicContact CG2-CD2 4.49Å; I2115-F2128 PolarHBondContact N-O 3.44Å; I2115-F2128 VanDerWaalsContact N-O 3.14Å; I2115-F2128 WeakPolarHBondContact O-CB 3.35Å; I2115-F2128 WeakPolarHBondContact O-CD2 3.45Å; I2115-F2128 PolarHBondContact O-N 3.37Å |
| 2116 | V | 35.7 | Very low | 33.7 | Very low | 23 Ų | 23 | 57.4 Ų | 57.4 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 110 | 175 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | L2012 L2069 T2114 V2118 L2125 Y2126 I2127 | L2012-V2116 HydrophobicContact CD2-CB 3.48Å; L2012-V2116 VanDerWaalsContact CD2-CB 3.48Å; L2012-V2116 HydrophobicContact CD2-CG1 3.36Å; L2012-V2116 HydrophobicContact CD2-CG2 4.15Å; L2069-V2116 HydrophobicContact CD1-CB 4.08Å; L2069-V2116 HydrophobicContact CD1-CG2 3.73Å; T2114-V2116 PolarHBondContact O-N 3.35Å; V2116-V2118 HydrophobicContact CG1-CG2 4.25Å; V2116-L2125 HydrophobicContact CG1-CD2 3.53Å; V2116-L2125 HydrophobicContact CG1-CG 3.99Å; V2116-Y2126 WeakPolarHBondContact CA-O 3.43Å; V2116-I2127 HydrophobicContact CG1-CG1 4.4Å; V2116-I2127 HydrophobicContact CG2-CG1 4.23Å; V2116-I2127 HydrophobicContact CG2-CG2 4.46Å |
| 2117 | T | 38.3 | Very low | 34.3 | Very low | 70 Ų | 70 | 51.6 Ų | 51.6 | 43% | 0.429 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 143.7 | 166.1 | 52.1 | 0 | 0 | 0 | 0 | 109.4 | I2115 Y2126 | I2115-T2117 HydrophobicContact CG2-CG2 4.5Å; T2117-Y2126 PolarHBondContact N-O 3.19Å; T2117-Y2126 WeakPolarHBondContact O-CB 3.28Å; T2117-Y2126 WeakPolarHBondContact O-CD2 3.46Å; T2117-Y2126 PolarHBondContact O-N 3.1Å; T2117-Y2126 WeakPolarHBondContact OG1-CD2 3.41Å |
| 2118 | V | 36.5 | Very low | 34.8 | Very low | 24 Ų | 24 | 49 Ų | 49 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.3 | -178.7 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | L2008 L2012 V2071 V2116 T2124 L2125 | L2008-V2118 HydrophobicContact CD1-CG1 3.93Å; L2008-V2118 HydrophobicContact CD1-CG2 4.19Å; L2008-V2118 HydrophobicContact CD2-CG1 4.08Å; L2012-V2118 HydrophobicContact CD2-CG2 4.2Å; V2071-V2118 HydrophobicContact CG1-CB 3.96Å; V2071-V2118 HydrophobicContact CG2-CB 4.05Å; V2071-V2118 HydrophobicContact CG2-CG2 3.79Å; V2116-V2118 HydrophobicContact CG1-CG2 4.25Å; V2118-T2124 WeakPolarHBondContact CA-O 3.35Å; V2118-L2125 HydrophobicContact CG2-CG 4.24Å |
| 2119 | D | 37.8 | Very low | 35 | Very low | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | trans | -80.6 | 118.2 | 168.8 | 175.5 | 37.2 | 0 | 0 | 0 | 110.8 | V1446 N2121 T2122 G2123 T2124 Y2126 | V1446-D2119 HydrophobicContact CB-CB 3.72Å; V1446-D2119 HydrophobicContact CG2-CB 3.94Å; V1446-D2119 PolarHBondContact N-OD1 3.44Å; D2119-N2121 PolarHBondContact O-N 3.23Å; D2119-N2121 PolarHBondContact OD1-N 3.49Å; D2119-N2121 PolarHBondContact OD1-ND2 3Å; D2119-T2122 VanDerWaalsContact OD2-CB 3.29Å; D2119-T2122 WeakPolarHBondContact OD2-CB 3.38Å; D2119-T2122 VanDerWaalsContact OD2-CG2 3.32Å; D2119-T2122 WeakPolarHBondContact OD2-CG2 3.47Å; D2119-T2122 PolarHBondContact OD2-N 3.34Å; D2119-T2122 PolarHBondContact OD2-OG1 2.98Å; D2119-G2123 WeakPolarHBondContact O-CA 3.28Å; D2119-G2123 PolarHBondContact O-N 2.54Å; D2119-T2124 PolarHBondContact N-O 3.13Å; D2119-Y2126 HydrophobicContact CB-CE2 4.14Å | ||
| 2120 | S | 32.7 | Very low | 35.1 | Very low | 81 Ų | 81 | 47.6 Ų | 47.6 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -5.7 | 179.5 | 51.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 2121 | N | 31.3 | Very low | 35.3 | Very low | 73 Ų | 73 | 48.7 Ų | 48.7 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -31.2 | -172.3 | -57.4 | -93.4 | 0 | 0 | 0 | 113.5 | Q1445 D2119 | Q1445-N2121 VanDerWaalsContact CA-ND2 3.31Å; Q1445-N2121 WeakPolarHBondContact CA-ND2 3.21Å; Q1445-N2121 HydrophobicContact CB-CB 4.15Å; Q1445-N2121 WeakPolarHBondContact CB-ND2 3.19Å; Q1445-N2121 HydrophobicContact CG-CB 4.35Å; Q1445-N2121 VanDerWaalsContact CG-CG 3.5Å; Q1445-N2121 WeakPolarHBondContact CG-OD1 3.49Å; Q1445-N2121 PolarHBondContact NE2-OD1 2.95Å; D2119-N2121 PolarHBondContact O-N 3.23Å; D2119-N2121 PolarHBondContact OD1-N 3.49Å; D2119-N2121 PolarHBondContact OD1-ND2 3Å |
| 2122 | T | 37.1 | Very low | 35.3 | Very low | 52 Ų | 52 | 49.9 Ų | 49.9 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -11.4 | 177.2 | 61 | 0 | 0 | 0 | 0 | 113.6 | D2119 T2124 | D2119-T2122 VanDerWaalsContact OD2-CB 3.29Å; D2119-T2122 WeakPolarHBondContact OD2-CB 3.38Å; D2119-T2122 VanDerWaalsContact OD2-CG2 3.32Å; D2119-T2122 WeakPolarHBondContact OD2-CG2 3.47Å; D2119-T2122 PolarHBondContact OD2-N 3.34Å; D2119-T2122 PolarHBondContact OD2-OG1 2.98Å; T2122-T2124 PolarHBondContact O-N 3.42Å; T2122-T2124 PolarHBondContact OG1-N 3.42Å; T2122-T2124 PolarHBondContact OG1-OG1 3.11Å |
| 2123 | G | 37.6 | Very low | 35.3 | Very low | 15 Ų | 15 | 51.8 Ų | 51.8 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | trans | 59.4 | 27.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1995 D2119 | K1995-G2123 WeakPolarHBondContact CD-O 3.46Å; K1995-G2123 PolarHBondContact NZ-O 2.89Å; D2119-G2123 WeakPolarHBondContact O-CA 3.28Å; D2119-G2123 PolarHBondContact O-N 2.54Å | ||
| 2124 | T | 35.6 | Very low | 35 | Very low | 41 Ų | 41 | 53.9 Ų | 53.9 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | trans | -79.1 | 141.7 | 166.2 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | V2118 D2119 T2122 Y2126 | V2118-T2124 WeakPolarHBondContact CA-O 3.35Å; D2119-T2124 PolarHBondContact N-O 3.13Å; T2122-T2124 PolarHBondContact O-N 3.42Å; T2122-T2124 PolarHBondContact OG1-N 3.42Å; T2122-T2124 PolarHBondContact OG1-OG1 3.11Å; T2124-Y2126 WeakPolarHBondContact OG1-CE1 3.44Å; T2124-Y2126 PolarHBondContact OG1-OH 2.83Å | ||
| 2125 | L | 39.3 | Very low | 34.6 | Very low | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 101.5 | -160.3 | -170.3 | 162.6 | 0 | 0 | 0 | 106.6 | A2006 L2012 V2116 V2118 I2127 | A2006-L2125 HydrophobicContact CB-CD1 3.7Å; A2006-L2125 HydrophobicContact CB-CD2 3.71Å; A2006-L2125 HydrophobicContact CB-CG 4.38Å; L2012-L2125 HydrophobicContact CD1-CD1 3.68Å; L2012-L2125 HydrophobicContact CD1-CD2 4.46Å; L2012-L2125 HydrophobicContact CD1-CG 4.14Å; V2116-L2125 HydrophobicContact CG1-CD2 3.53Å; V2116-L2125 HydrophobicContact CG1-CG 3.99Å; V2118-L2125 HydrophobicContact CG2-CG 4.24Å; L2125-I2127 HydrophobicContact CD2-CD1 3.91Å; L2125-I2127 HydrophobicContact CD2-CG1 3.5Å; L2125-I2127 VanDerWaalsContact CD2-CG1 3.5Å; L2125-I2127 PolarHBondContact O-N 3.05Å |
| 2126 | Y | 39.1 | Very low | 34.4 | Very low | 13 Ų | 13 | 62.7 Ų | 62.7 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 90.1 | -166.8 | -48 | -49.3 | 0 | 0 | 0 | 110.1 | V1446 V1449 V2116 T2117 D2119 T2124 F2128 | V1446-Y2126 HydrophobicContact CB-CE2 4.39Å; V1446-Y2126 HydrophobicContact CG1-CE2 4.17Å; V1446-Y2126 VanDerWaalsContact CG1-OH 3.27Å; V1446-Y2126 WeakPolarHBondContact CG1-OH 3.4Å; V1446-Y2126 HydrophobicContact CG2-CE2 4.27Å; V1449-Y2126 HydrophobicContact CB-CD1 3.65Å; V1449-Y2126 HydrophobicContact CB-CE1 3.5Å; V1449-Y2126 VanDerWaalsContact CB-CE1 3.5Å; V1449-Y2126 HydrophobicContact CB-CG 4.37Å; V1449-Y2126 HydrophobicContact CG1-CD1 4.39Å; V1449-Y2126 HydrophobicContact CG2-CD1 3.58Å; V1449-Y2126 HydrophobicContact CG2-CD2 3.98Å; V1449-Y2126 HydrophobicContact CG2-CE1 3.32Å; V1449-Y2126 HydrophobicContact CG2-CE2 3.73Å; V1449-Y2126 HydrophobicContact CG2-CG 3.91Å; V2116-Y2126 WeakPolarHBondContact CA-O 3.43Å; T2117-Y2126 PolarHBondContact N-O 3.19Å; T2117-Y2126 WeakPolarHBondContact O-CB 3.28Å; T2117-Y2126 WeakPolarHBondContact O-CD2 3.46Å; T2117-Y2126 PolarHBondContact O-N 3.1Å; T2117-Y2126 WeakPolarHBondContact OG1-CD2 3.41Å; D2119-Y2126 HydrophobicContact CB-CE2 4.14Å; T2124-Y2126 WeakPolarHBondContact OG1-CE1 3.44Å; T2124-Y2126 PolarHBondContact OG1-OH 2.83Å; Y2126-F2128 PolarHBondContact O-N 3.27Å |
| 2127 | I | 38.4 | Very low | 34.4 | Very low | 34 Ų | 34 | 64.7 Ų | 64.7 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 107.6 | 176.8 | -52.2 | 179.5 | 0 | 0 | 0 | 108.9 | A2006 T2114 V2116 L2125 | A2006-I2127 HydrophobicContact CB-CD1 4.46Å; T2114-I2127 HydrophobicContact CG2-CG2 3.55Å; V2116-I2127 HydrophobicContact CG1-CG1 4.4Å; V2116-I2127 HydrophobicContact CG2-CG1 4.23Å; V2116-I2127 HydrophobicContact CG2-CG2 4.46Å; L2125-I2127 HydrophobicContact CD2-CD1 3.91Å; L2125-I2127 HydrophobicContact CD2-CG1 3.5Å; L2125-I2127 VanDerWaalsContact CD2-CG1 3.5Å; L2125-I2127 PolarHBondContact O-N 3.05Å |
| 2128 | F | 35.7 | Very low | 34.2 | Very low | 45 Ų | 45 | 64.4 Ų | 64.4 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 105.3 | 164.8 | -68.5 | -100.9 | 0 | 0 | 0 | 108.9 | F1451 L1457 T2114 I2115 Y2126 P2130 | F1451-F2128 HydrophobicContact CE1-CD1 4.28Å; F1451-F2128 HydrophobicContact CE1-CE1 4.34Å; L1457-F2128 HydrophobicContact CD1-CE1 3.71Å; L1457-F2128 HydrophobicContact CD1-CZ 3.7Å; L1457-F2128 HydrophobicContact CD2-CE1 3.78Å; L1457-F2128 HydrophobicContact CD2-CZ 3.61Å; L1457-F2128 HydrophobicContact CG-CE1 4.29Å; L1457-F2128 HydrophobicContact CG-CZ 4.31Å; T2114-F2128 CarbonylContact C-O 3.58Å; T2114-F2128 VanDerWaalsContact CA-O 3.3Å; T2114-F2128 WeakPolarHBondContact CA-O 3.45Å; I2115-F2128 HydrophobicContact CB-CB 4.09Å; I2115-F2128 HydrophobicContact CB-CD2 4.48Å; I2115-F2128 HydrophobicContact CG2-CD2 4.49Å; I2115-F2128 PolarHBondContact N-O 3.44Å; I2115-F2128 VanDerWaalsContact N-O 3.14Å; I2115-F2128 WeakPolarHBondContact O-CB 3.35Å; I2115-F2128 WeakPolarHBondContact O-CD2 3.45Å; I2115-F2128 PolarHBondContact O-N 3.37Å; Y2126-F2128 PolarHBondContact O-N 3.27Å; F2128-P2130 WeakPolarHBondContact O-CD 3.44Å |
| 2129 | D | 33.3 | Very low | 34 | Very low | 66 Ų | 66 | 66.8 Ų | 66.8 | 35% | 0.353 | 39% | 0.385 | S | S | . | . | trans | -83.3 | 121.8 | 172.1 | -162.8 | -26.9 | 0 | 0 | 0 | 110.7 | T2114 I2131 | T2114-D2129 HydrophobicContact CG2-CB 4.18Å; D2129-I2131 PolarHBondContact O-N 3.2Å; D2129-I2131 WeakPolarHBondContact OD1-CB 3.36Å; D2129-I2131 WeakPolarHBondContact OD1-CG1 3.17Å; D2129-I2131 PolarHBondContact OD1-N 2.85Å | ||
| 2130 | P | 36.9 | Very low | 33.8 | Very low | 69 Ų | 69 | 70.8 Ų | 70.8 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -17.1 | 173.9 | -19.1 | 33.3 | 0 | 0 | 0 | 114.1 | P2112 P2113 F2128 | P2112-P2130 HydrophobicContact CB-CB 4.4Å; P2112-P2130 HydrophobicContact CB-CG 4.26Å; P2112-P2130 HydrophobicContact CG-CB 4.17Å; P2112-P2130 HydrophobicContact CG-CG 4.31Å; P2113-P2130 WeakPolarHBondContact O-CG 3.39Å; F2128-P2130 WeakPolarHBondContact O-CD 3.44Å |
| 2131 | I | 34.9 | Very low | 33.9 | Very low | 69 Ų | 69 | 70.1 Ų | 70.1 | 35% | 0.354 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -0.8 | -169 | -41.9 | 164.4 | 0 | 0 | 0 | 112.2 | L2111 P2112 D2129 S2133 L2134 | L2111-I2131 HydrophobicContact CB-CD1 4Å; L2111-I2131 HydrophobicContact CD2-CD1 3.81Å; L2111-I2131 HydrophobicContact CG-CD1 3.72Å; P2112-I2131 HydrophobicContact CG-CD1 3.99Å; P2112-I2131 HydrophobicContact CG-CG1 3.58Å; D2129-I2131 PolarHBondContact O-N 3.2Å; D2129-I2131 WeakPolarHBondContact OD1-CB 3.36Å; D2129-I2131 WeakPolarHBondContact OD1-CG1 3.17Å; D2129-I2131 PolarHBondContact OD1-N 2.85Å; I2131-S2133 PolarHBondContact O-N 2.9Å; I2131-L2134 PolarHBondContact O-N 3.05Å |
| 2132 | G | 30.6 | Very low | 34 | Very low | 59 Ų | 59 | 69.9 Ų | 69.9 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 20.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 2133 | S | 30.1 | Very low | 33.8 | Very low | 99 Ų | 99 | 71.2 Ų | 71.2 | 69% | 0.692 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 9.3 | 174 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | I2131 | I2131-S2133 PolarHBondContact O-N 2.9Š|
| 2134 | L | 24 | Very low | 33.5 | Very low | 140 Ų | 140 | 75.9 Ų | 75.9 | 73% | 0.733 | 43% | 0.425 | S | S | * | . | trans | -137.3 | 36.8 | -176.4 | -94.3 | 168.5 | 0 | 0 | 0 | 113.9 | I2131 | I2131-L2134 PolarHBondContact O-N 3.05Š| ||
| 2135 | F | 24.1 | Very low | 33.3 | Very low | 251 Ų | 251 | 79.1 Ų | 79.1 | 100% | 1.101 | 44% | 0.44 | S | S | * | . | trans | -157.7 | 0 | 155.1 | -103.8 | -68 | 0 | 0 | 0 | 110.7 |
Retrieved 2,135 of 2,135 residues in 517.8 ms
(Link to these results)