| 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 | 32.4 | Very low | 49 | Very low | 175 Ų | 175 | 56.3 Ų | 56.3 | 86% | 0.862 | 31% | 0.314 | S | S | * | . | 0 | 116.5 | 0 | -66.2 | 162.5 | 96.4 | 0 | 0 | 105.5 | |||||
| 2 | T | 30.7 | Very low | 51.4 | Low | 75 Ų | 75 | 58.3 Ų | 58.3 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | cis | -154 | 18.2 | -14.3 | -18.5 | 0 | 0 | 0 | 0 | 112.7 | S4 D5 H948 | T2-S4 PolarHBondContact O-N 2.91Å; T2-D5 PolarHBondContact N-OD1 3.08Å; T2-D5 PolarHBondContact N-OD2 3.38Å; T2-H948 PolarHBondContact O-NE2 3.07Å | ||
| 3 | S | 37.9 | Very low | 53.4 | Low | 46 Ų | 46 | 58.5 Ų | 58.5 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 64 | 11.9 | -171.6 | 28.5 | 0 | 0 | 0 | 0 | 115.4 | D5 M946 K947 H948 | S3-D5 PolarHBondContact N-OD2 3.19Å; S3-M946 WeakPolarHBondContact O-CB 3.12Å; S3-M946 WeakPolarHBondContact O-CG 3.44Å; S3-K947 CarbonylContact O-C 3.19Å; S3-H948 WeakPolarHBondContact CA-NE2 3.19Å; S3-H948 WeakPolarHBondContact CB-NE2 3.46Å; S3-H948 PolarHBondContact O-CD2 3.38Å; S3-H948 PolarHBondContact OG-CE1 2.94Å; S3-H948 PolarHBondContact OG-NE2 3.1Å |
| 4 | S | 37.6 | Very low | 55.3 | Low | 72 Ų | 72 | 62.6 Ų | 62.6 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -107.5 | 17.4 | 166.9 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | T2 M946 | T2-S4 PolarHBondContact O-N 2.91Å; S4-M946 WeakPolarHBondContact O-CA 3.36Å; S4-M946 PolarHBondContact O-N 3.12Å |
| 5 | D | 45.4 | Very low | 57.2 | Low | 16 Ų | 16 | 64.3 Ų | 64.3 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -133.5 | 83.5 | -173 | 26.7 | -94.1 | 0 | 0 | 0 | 118.3 | T2 S3 M946 | T2-D5 PolarHBondContact N-OD1 3.08Å; T2-D5 PolarHBondContact N-OD2 3.38Å; S3-D5 PolarHBondContact N-OD2 3.19Å; D5-M946 VanDerWaalsContact C-CA 3.46Å; D5-M946 VanDerWaalsContact CA-CG 3.44Å; D5-M946 HydrophobicContact CB-CG 4.3Å; D5-M946 WeakPolarHBondContact O-CE 3.49Å; D5-M946 WeakPolarHBondContact O-CG 3.31Å; D5-M946 WeakPolarHBondContact OD2-CE 3.37Å |
| 6 | N | 49.9 | Very low | 58.9 | Low | 44 Ų | 44 | 63.4 Ų | 63.4 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 116.7 | 45.3 | -152.8 | -74.8 | -96.1 | 0 | 0 | 0 | 124.6 | N10 T944 P945 M946 K947 | N6-N10 WeakPolarHBondContact CA-OD1 3.37Å; N6-N10 VanDerWaalsContact CB-CG 3.47Å; N6-N10 WeakPolarHBondContact CB-OD1 3.48Å; N6-N10 WeakPolarHBondContact O-CB 3.39Å; N6-N10 PolarHBondContact O-OD1 3.26Å; N6-N10 VanDerWaalsContact O-OD1 3.09Å; N6-N10 PolarHBondContact OD1-ND2 3.17Å; N6-N10 PolarHBondContact OD1-OD1 3.21Å; N6-T944 WeakPolarHBondContact ND2-CB 3.27Å; N6-T944 WeakPolarHBondContact ND2-CG2 3.46Å; N6-P945 CarbonylContact C-O 3.45Å; N6-P945 VanDerWaalsContact CA-C 3.49Å; N6-M946 HydrophobicContact CB-CB 3.62Å; N6-M946 HydrophobicContact CB-CG 3.83Å; N6-M946 HydrophobicContact CB-SD 3.55Å; N6-M946 VanDerWaalsContact CB-SD 3.55Å; N6-M946 WeakPolarHBondContact O-CB 3.42Å; N6-K947 VanDerWaalsContact O-CG 3.29Å; N6-K947 WeakPolarHBondContact O-CG 3.41Å; N6-K947 PolarHBondContact O-N 3.38Å |
| 7 | L | 43.8 | Very low | 60.2 | Low | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -123 | -69.3 | 158.1 | -103.9 | 173.3 | 0 | 0 | 0 | 112 | L9 N10 E11 P945 K947 | L7-L9 CarbonylContact O-C 3.58Å; L7-L9 PolarHBondContact O-N 3.28Å; L7-N10 CarbonylContact O-C 3.5Å; L7-N10 WeakPolarHBondContact O-CA 3.47Å; L7-N10 PolarHBondContact O-N 3.14Å; L7-E11 HydrophobicContact CB-CG 4.11Å; L7-E11 HydrophobicContact CD2-CG 3.24Å; L7-E11 HydrophobicContact CG-CG 4.1Å; L7-E11 WeakPolarHBondContact O-CB 3.46Å; L7-E11 WeakPolarHBondContact O-CG 3.44Å; L7-E11 PolarHBondContact O-N 3.28Å; L7-P945 CarbonylContact C-O 3.52Å; L7-P945 VanDerWaalsContact C-O 3.31Å; L7-P945 WeakPolarHBondContact CA-O 3.33Å; L7-P945 PolarHBondContact N-O 3.28Å; L7-K947 HydrophobicContact CB-CG 4.37Å; L7-K947 HydrophobicContact CD1-CG 4.46Å; L7-K947 HydrophobicContact CD2-CG 3.85Å; L7-K947 HydrophobicContact CG-CB 4.01Å; L7-K947 HydrophobicContact CG-CG 3.56Å; L7-K947 VanDerWaalsContact N-N 3.13Å |
| 8 | P | 55.9 | Low | 61.2 | Low | 17 Ų | 17 | 62.6 Ų | 62.6 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -39.4 | -31.9 | 178.6 | -36.2 | 22.7 | 0 | 0 | 0 | 118.1 | Q496 K500 P945 | P8-Q496 HydrophobicContact CB-CB 4.38Å; P8-K500 PolarHBondContact O-NZ 3.09Å; P8-P945 HydrophobicContact CB-CB 4.49Å; P8-P945 HydrophobicContact CB-CG 4.16Å; P8-P945 WeakPolarHBondContact CD-O 3.39Å |
| 9 | L | 62.6 | Low | 62 | Low | 68 Ų | 68 | 61.2 Ų | 61.2 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -96.9 | -17.4 | 160 | -92.5 | 78.9 | 0 | 0 | 0 | 117.2 | L7 L12 E13 P945 | L7-L9 CarbonylContact O-C 3.58Å; L7-L9 PolarHBondContact O-N 3.28Å; L9-L12 CarbonylContact O-C 3.32Å; L9-L12 PolarHBondContact O-N 3Å; L9-E13 WeakPolarHBondContact O-CB 3.42Å; L9-E13 PolarHBondContact O-N 3.45Å; L9-P945 HydrophobicContact CD1-CG 4.08Å |
| 10 | N | 69.2 | Low | 62.7 | Low | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -89.7 | -9.6 | 172.6 | -55.8 | 60.2 | 0 | 0 | 0 | 114.8 | N6 L7 E13 K14 | N6-N10 WeakPolarHBondContact CA-OD1 3.37Å; N6-N10 VanDerWaalsContact CB-CG 3.47Å; N6-N10 WeakPolarHBondContact CB-OD1 3.48Å; N6-N10 WeakPolarHBondContact O-CB 3.39Å; N6-N10 PolarHBondContact O-OD1 3.26Å; N6-N10 VanDerWaalsContact O-OD1 3.09Å; N6-N10 PolarHBondContact OD1-ND2 3.17Å; N6-N10 PolarHBondContact OD1-OD1 3.21Å; L7-N10 CarbonylContact O-C 3.5Å; L7-N10 WeakPolarHBondContact O-CA 3.47Å; L7-N10 PolarHBondContact O-N 3.14Å; N10-E13 HydrophobicContact CB-CB 4.3Å; N10-E13 PolarHBondContact ND2-OE2 3.32Å; N10-K14 VanDerWaalsContact O-CB 3.28Å; N10-K14 WeakPolarHBondContact O-CB 3.44Å; N10-K14 WeakPolarHBondContact O-CD 3.26Å; N10-K14 WeakPolarHBondContact O-CG 3.47Å; N10-K14 PolarHBondContact O-N 2.95Å |
| 11 | E | 73.8 | Confident | 63.5 | Low | 65 Ų | 65 | 60 Ų | 60 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.8 | -51.9 | 153.9 | -66.6 | 175.1 | 146.6 | 0 | 0 | 106.7 | L7 E13 K14 E15 K500 | L7-E11 HydrophobicContact CB-CG 4.11Å; L7-E11 HydrophobicContact CD2-CG 3.24Å; L7-E11 HydrophobicContact CG-CG 4.1Å; L7-E11 WeakPolarHBondContact O-CB 3.46Å; L7-E11 WeakPolarHBondContact O-CG 3.44Å; L7-E11 PolarHBondContact O-N 3.28Å; E11-E13 PolarHBondContact O-N 3.41Å; E11-K14 CarbonylContact O-C 3.49Å; E11-K14 WeakPolarHBondContact O-CA 3.41Å; E11-K14 WeakPolarHBondContact O-CB 3.45Å; E11-K14 PolarHBondContact O-N 3.39Å; E11-K14 VanDerWaalsContact O-N 3.08Å; E11-E15 WeakPolarHBondContact O-CB 3.36Å; E11-E15 WeakPolarHBondContact O-CG 3.46Å; E11-E15 PolarHBondContact O-N 3.1Å; E11-K500 IonicContact OE2-NZ 3.77Å; E11-K500 PolarHBondContact OE2-NZ 2.94Å |
| 12 | L | 77.8 | Confident | 65.8 | Low | 80 Ų | 80 | 60.1 Ų | 60.1 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 175.2 | -170.7 | 61.9 | 0 | 0 | 0 | 111.9 | L9 L16 | L9-L12 CarbonylContact O-C 3.32Å; L9-L12 PolarHBondContact O-N 3Å; L12-L16 HydrophobicContact CD1-CD1 4.46Å; L12-L16 HydrophobicContact CD1-CG 4.42Å; L12-L16 HydrophobicContact CG-CD1 3.91Å; L12-L16 HydrophobicContact CG-CG 4.35Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 WeakPolarHBondContact O-CD1 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.5Å; L12-L16 PolarHBondContact O-N 3.42Å |
| 13 | E | 77.7 | Confident | 68.2 | Low | 61 Ų | 61 | 59.3 Ų | 59.3 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -49.5 | 171 | -165.5 | -165.7 | -164.4 | 0 | 0 | 110.6 | L9 N10 E11 E15 L16 L17 | L9-E13 WeakPolarHBondContact O-CB 3.42Å; L9-E13 PolarHBondContact O-N 3.45Å; N10-E13 HydrophobicContact CB-CB 4.3Å; N10-E13 PolarHBondContact ND2-OE2 3.32Å; E11-E13 PolarHBondContact O-N 3.41Å; E13-E15 PolarHBondContact O-N 3.3Å; E13-L16 PolarHBondContact O-N 3.29Å; E13-L17 HydrophobicContact CG-CD1 3.71Å; E13-L17 HydrophobicContact CG-CG 4.27Å; E13-L17 WeakPolarHBondContact O-CB 3.23Å; E13-L17 WeakPolarHBondContact O-CG 3.33Å; E13-L17 PolarHBondContact O-N 3.38Å |
| 14 | K | 80.3 | Confident | 70.5 | Confident | 116 Ų | 116 | 57.3 Ų | 57.3 | 50% | 0.504 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -52.8 | -51.7 | 172.7 | -83.5 | 166.6 | 170.1 | -169.3 | 0 | 111.1 | N10 E11 L17 D18 | N10-K14 VanDerWaalsContact O-CB 3.28Å; N10-K14 WeakPolarHBondContact O-CB 3.44Å; N10-K14 WeakPolarHBondContact O-CD 3.26Å; N10-K14 WeakPolarHBondContact O-CG 3.47Å; N10-K14 PolarHBondContact O-N 2.95Å; E11-K14 CarbonylContact O-C 3.49Å; E11-K14 WeakPolarHBondContact O-CA 3.41Å; E11-K14 WeakPolarHBondContact O-CB 3.45Å; E11-K14 PolarHBondContact O-N 3.39Å; E11-K14 VanDerWaalsContact O-N 3.08Å; K14-L17 CarbonylContact O-C 3.53Å; K14-L17 PolarHBondContact O-N 3.49Å; K14-L17 VanDerWaalsContact O-N 3.15Å; K14-D18 WeakPolarHBondContact O-CA 3.24Å; K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 2.89Å |
| 15 | E | 83.1 | Confident | 72.9 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 179.4 | -63.2 | -66.1 | 150.4 | 0 | 0 | 111.9 | E11 E13 L17 S21 C23 | E11-E15 WeakPolarHBondContact O-CB 3.36Å; E11-E15 WeakPolarHBondContact O-CG 3.46Å; E11-E15 PolarHBondContact O-N 3.1Å; E13-E15 PolarHBondContact O-N 3.3Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 2.94Å; E15-S21 WeakPolarHBondContact O-CB 3.5Å; E15-S21 VanDerWaalsContact OE2-CB 3.23Å; E15-S21 WeakPolarHBondContact OE2-CB 3.28Å; E15-S21 PolarHBondContact OE2-OG 2.98Å; E15-C23 HydrophobicContact CB-CB 4.32Å |
| 16 | L | 84.3 | Confident | 75 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68 | -26.4 | 175.1 | -74.1 | 165.8 | 0 | 0 | 0 | 112.7 | L12 E13 C23 Y24 L25 L28 | L12-L16 HydrophobicContact CD1-CD1 4.46Å; L12-L16 HydrophobicContact CD1-CG 4.42Å; L12-L16 HydrophobicContact CG-CD1 3.91Å; L12-L16 HydrophobicContact CG-CG 4.35Å; L12-L16 WeakPolarHBondContact O-CB 3.44Å; L12-L16 WeakPolarHBondContact O-CD1 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.5Å; L12-L16 PolarHBondContact O-N 3.42Å; E13-L16 PolarHBondContact O-N 3.29Å; L16-C23 WeakPolarHBondContact CD2-O 3.34Å; L16-Y24 VanDerWaalsContact O-CD2 3.31Å; L16-Y24 WeakPolarHBondContact O-CD2 3.31Å; L16-L25 HydrophobicContact CD2-CD1 4.39Å; L16-L25 WeakPolarHBondContact O-CB 3.35Å; L16-L25 PolarHBondContact O-N 3.02Å; L16-L28 HydrophobicContact CD2-CD1 3.6Å |
| 17 | L | 80.7 | Confident | 76.9 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -95.2 | -21.8 | -179.6 | -69.4 | 177.3 | 0 | 0 | 0 | 114 | E13 K14 E15 P19 Y24 L439 | E13-L17 HydrophobicContact CG-CD1 3.71Å; E13-L17 HydrophobicContact CG-CG 4.27Å; E13-L17 WeakPolarHBondContact O-CB 3.23Å; E13-L17 WeakPolarHBondContact O-CG 3.33Å; E13-L17 PolarHBondContact O-N 3.38Å; K14-L17 CarbonylContact O-C 3.53Å; K14-L17 PolarHBondContact O-N 3.49Å; K14-L17 VanDerWaalsContact O-N 3.15Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 2.94Å; L17-P19 WeakPolarHBondContact O-CD 3.35Å; L17-Y24 WeakPolarHBondContact O-CE2 3.36Å; L17-L439 HydrophobicContact CD2-CB 3.64Å; L17-L439 HydrophobicContact CD2-CD1 4.1Å; L17-L439 HydrophobicContact CD2-CD2 3.82Å; L17-L439 HydrophobicContact CD2-CG 4.03Å |
| 18 | D | 78.7 | Confident | 79.2 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | trans | -84.5 | 114.6 | -177.4 | -175.7 | -2.4 | 0 | 0 | 0 | 110.1 | K14 N20 S21 Y24 | K14-D18 WeakPolarHBondContact O-CA 3.24Å; K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 2.89Å; D18-N20 PolarHBondContact O-N 3.46Å; D18-N20 VanDerWaalsContact OD1-CB 3.31Å; D18-N20 WeakPolarHBondContact OD1-CB 3.48Å; D18-N20 PolarHBondContact OD1-N 3.49Å; D18-N20 PolarHBondContact OD1-ND2 2.93Å; D18-S21 PolarHBondContact O-N 3.11Å; D18-Y24 VanDerWaalsContact C-CD2 3.42Å; D18-Y24 WeakPolarHBondContact O-CD2 3.42Å | ||
| 19 | P | 76.4 | Confident | 80.9 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.6 | 177.9 | -20.9 | 33.1 | 0 | 0 | 0 | 114.7 | L17 Y24 V126 F432 | L17-P19 WeakPolarHBondContact O-CD 3.35Å; P19-Y24 HydrophobicContact CB-CE1 4.35Å; P19-Y24 HydrophobicContact CB-CE2 4.27Å; P19-Y24 HydrophobicContact CG-CE2 4.03Å; P19-V126 HydrophobicContact CB-CG1 4.01Å; P19-F432 HydrophobicContact CB-CD2 4.04Å; P19-F432 HydrophobicContact CB-CE2 3.7Å; P19-F432 HydrophobicContact CG-CE2 3.89Å |
| 20 | N | 75.3 | Confident | 82.3 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -15.2 | 178.9 | -56 | -69.2 | 0 | 0 | 0 | 113.5 | D18 K127 | D18-N20 PolarHBondContact O-N 3.46Å; D18-N20 VanDerWaalsContact OD1-CB 3.31Å; D18-N20 WeakPolarHBondContact OD1-CB 3.48Å; D18-N20 PolarHBondContact OD1-N 3.49Å; D18-N20 PolarHBondContact OD1-ND2 2.93Å; N20-K127 WeakPolarHBondContact OD1-CE 3.42Å; N20-K127 WeakPolarHBondContact OD1-CG 3.41Å |
| 21 | S | 81.1 | Confident | 83.5 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -77.8 | 140.7 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | E15 D18 C23 Y24 N27 | E15-S21 WeakPolarHBondContact O-CB 3.5Å; E15-S21 VanDerWaalsContact OE2-CB 3.23Å; E15-S21 WeakPolarHBondContact OE2-CB 3.28Å; E15-S21 PolarHBondContact OE2-OG 2.98Å; D18-S21 PolarHBondContact O-N 3.11Å; S21-C23 PolarHBondContact O-N 3.29Å; S21-C23 PolarHBondContact OG-N 3.35Å; S21-C23 VanDerWaalsContact OG-N 3.12Å; S21-Y24 VanDerWaalsContact O-CB 3.27Å; S21-Y24 WeakPolarHBondContact O-CB 3.37Å; S21-Y24 PolarHBondContact O-N 2.95Å; S21-N27 PolarHBondContact O-ND2 2.92Å |
| 22 | E | 79.8 | Confident | 84.3 | Confident | 178 Ų | 178 | 57.7 Ų | 57.7 | 83% | 0.832 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.6 | 167.2 | -63.2 | -177.5 | 174.6 | 0 | 0 | 111.5 | Y24 N27 | E22-Y24 VanDerWaalsContact C-N 3.28Å; E22-Y24 PolarHBondContact O-N 3.39Å; E22-N27 PolarHBondContact O-ND2 3.42Å |
| 23 | C | 81.1 | Confident | 85 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -0.2 | -179.1 | -67.6 | 0 | 0 | 0 | 0 | 114.2 | E15 L16 S21 | E15-C23 HydrophobicContact CB-CB 4.32Å; L16-C23 WeakPolarHBondContact CD2-O 3.34Å; S21-C23 PolarHBondContact O-N 3.29Å; S21-C23 PolarHBondContact OG-N 3.35Å; S21-C23 VanDerWaalsContact OG-N 3.12Å |
| 24 | Y | 87.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | trans | -48.6 | 139.5 | -177.2 | -176 | -124.9 | 0 | 0 | 0 | 113 | L16 L17 D18 P19 S21 E22 E26 N27 L28 F432 H436 L439 | L16-Y24 VanDerWaalsContact O-CD2 3.31Å; L16-Y24 WeakPolarHBondContact O-CD2 3.31Å; L17-Y24 WeakPolarHBondContact O-CE2 3.36Å; D18-Y24 VanDerWaalsContact C-CD2 3.42Å; D18-Y24 WeakPolarHBondContact O-CD2 3.42Å; P19-Y24 HydrophobicContact CB-CE1 4.35Å; P19-Y24 HydrophobicContact CB-CE2 4.27Å; P19-Y24 HydrophobicContact CG-CE2 4.03Å; S21-Y24 VanDerWaalsContact O-CB 3.27Å; S21-Y24 WeakPolarHBondContact O-CB 3.37Å; S21-Y24 PolarHBondContact O-N 2.95Å; E22-Y24 VanDerWaalsContact C-N 3.28Å; E22-Y24 PolarHBondContact O-N 3.39Å; Y24-E26 VanDerWaalsContact C-N 3.27Å; Y24-E26 HydrophobicContact CD1-CB 4Å; Y24-E26 HydrophobicContact CE1-CB 3.96Å; Y24-E26 HydrophobicContact CE1-CG 4.03Å; Y24-E26 PolarHBondContact O-N 3.11Å; Y24-E26 VanDerWaalsContact O-N 3.12Å; Y24-N27 WeakPolarHBondContact O-CA 3.12Å; Y24-N27 VanDerWaalsContact O-CB 3.27Å; Y24-N27 WeakPolarHBondContact O-CB 3.07Å; Y24-N27 PolarHBondContact O-N 3.18Å; Y24-L28 PolarHBondContact O-N 2.93Å; Y24-F432 HydrophobicContact CE1-CD2 4.29Å; Y24-H436 AromaticContact CZ-NE2 3.89Å; Y24-H436 PolarHBondContact OH-CD2 3.18Å; Y24-H436 PolarHBondContact OH-NE2 3.42Å; Y24-H436 VanDerWaalsContact OH-NE2 3.12Å; Y24-L439 HydrophobicContact CE2-CD1 4.18Å | ||
| 25 | L | 88.1 | Confident | 86.3 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.277 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -36.1 | -167.7 | -176.1 | 63.2 | 0 | 0 | 0 | 113.7 | L16 N27 L28 L29 L439 | L16-L25 HydrophobicContact CD2-CD1 4.39Å; L16-L25 WeakPolarHBondContact O-CB 3.35Å; L16-L25 PolarHBondContact O-N 3.02Å; L25-N27 VanDerWaalsContact C-N 3.32Å; L25-N27 PolarHBondContact O-N 3.02Å; L25-L28 PolarHBondContact O-N 2.94Å; L25-L29 HydrophobicContact CG-CD1 4.16Å; L25-L29 HydrophobicContact CG-CG 4.48Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.37Å; L25-L439 HydrophobicContact CD2-CD2 3.87Å |
| 26 | E | 88.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -30.6 | 176.6 | -67.7 | -57.3 | 126.3 | 0 | 0 | 113 | Y24 L29 D30 R68 T431 H436 Y438 | Y24-E26 VanDerWaalsContact C-N 3.27Å; Y24-E26 HydrophobicContact CD1-CB 4Å; Y24-E26 HydrophobicContact CE1-CB 3.96Å; Y24-E26 HydrophobicContact CE1-CG 4.03Å; Y24-E26 PolarHBondContact O-N 3.11Å; Y24-E26 VanDerWaalsContact O-N 3.12Å; E26-L29 PolarHBondContact O-N 3.4Å; E26-D30 WeakPolarHBondContact O-CB 3.44Å; E26-D30 PolarHBondContact O-N 3.34Å; E26-R68 PolarHBondContact O-NH2 3.27Å; E26-R68 IonicContact OE2-CZ 3.15Å; E26-R68 IonicContact OE2-NE 2.91Å; E26-R68 PolarHBondContact OE2-NE 2.89Å; E26-R68 IonicContact OE2-NH2 2.71Å; E26-R68 PolarHBondContact OE2-NH2 2.67Å; E26-T431 HydrophobicContact CB-CG2 4.27Å; E26-T431 HydrophobicContact CG-CG2 4.41Å; E26-H436 VanDerWaalsContact CG-CE1 3.41Å; E26-H436 WeakPolarHBondContact CG-CE1 3.49Å; E26-H436 IonicContact OE1-CE1 3.42Å; E26-Y438 PolarHBondContact OE1-OH 3.05Å |
| 27 | N | 90.3 | Very high | 86.9 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 175.4 | -52.2 | -4.9 | 0 | 0 | 0 | 110 | S21 E22 Y24 L25 D30 V31 | S21-N27 PolarHBondContact O-ND2 2.92Å; E22-N27 PolarHBondContact O-ND2 3.42Å; Y24-N27 WeakPolarHBondContact O-CA 3.12Å; Y24-N27 VanDerWaalsContact O-CB 3.27Å; Y24-N27 WeakPolarHBondContact O-CB 3.07Å; Y24-N27 PolarHBondContact O-N 3.18Å; L25-N27 VanDerWaalsContact C-N 3.32Å; L25-N27 PolarHBondContact O-N 3.02Å; N27-D30 WeakPolarHBondContact O-CB 3.38Å; N27-D30 PolarHBondContact O-N 3.23Å; N27-V31 WeakPolarHBondContact O-CG2 3.39Å; N27-V31 PolarHBondContact O-N 3.02Å |
| 28 | L | 91.3 | Very high | 87.3 | Confident | 81 Ų | 81 | 44.7 Ų | 44.7 | 42% | 0.424 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 177.3 | -58.4 | -179.7 | 0 | 0 | 0 | 112.1 | L16 Y24 L25 V31 V32 | L16-L28 HydrophobicContact CD2-CD1 3.6Å; Y24-L28 PolarHBondContact O-N 2.93Å; L25-L28 PolarHBondContact O-N 2.94Å; L28-V31 PolarHBondContact O-N 3.44Å; L28-V32 WeakPolarHBondContact O-CG2 3.24Å; L28-V32 PolarHBondContact O-N 3.35Å; L28-V32 VanDerWaalsContact O-N 3.15Å |
| 29 | L | 92.3 | Very high | 87.9 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -30.2 | 175.7 | -66.5 | 175.7 | 0 | 0 | 0 | 112.7 | L25 E26 S33 I64 | L25-L29 HydrophobicContact CG-CD1 4.16Å; L25-L29 HydrophobicContact CG-CG 4.48Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.37Å; E26-L29 PolarHBondContact O-N 3.4Å; L29-S33 WeakPolarHBondContact O-CB 3.27Å; L29-S33 PolarHBondContact O-N 2.93Å; L29-S33 PolarHBondContact O-OG 2.89Å; L29-I64 HydrophobicContact CB-CD1 4.4Å; L29-I64 HydrophobicContact CB-CG2 4.25Å; L29-I64 HydrophobicContact CD2-CD1 3.74Å; L29-I64 HydrophobicContact CD2-CG1 4.09Å |
| 30 | D | 92.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -51.9 | 167.5 | -89.2 | -5.1 | 0 | 0 | 0 | 111 | E26 N27 V32 S33 A34 R68 A428 G429 F430 T431 | E26-D30 WeakPolarHBondContact O-CB 3.44Å; E26-D30 PolarHBondContact O-N 3.34Å; N27-D30 WeakPolarHBondContact O-CB 3.38Å; N27-D30 PolarHBondContact O-N 3.23Å; D30-V32 VanDerWaalsContact C-N 3.3Å; D30-V32 PolarHBondContact O-N 3.42Å; D30-S33 PolarHBondContact O-N 2.93Å; D30-A34 VanDerWaalsContact O-CB 3.29Å; D30-A34 WeakPolarHBondContact O-CB 3.38Å; D30-A34 PolarHBondContact O-N 2.73Å; D30-R68 IonicContact OD1-CZ 3.99Å; D30-R68 VanDerWaalsContact OD1-CZ 3.23Å; D30-R68 IonicContact OD1-NH1 2.89Å; D30-R68 PolarHBondContact OD1-NH1 3.5Å; D30-R68 IonicContact OD1-NH2 2.74Å; D30-R68 PolarHBondContact OD1-NH2 3.45Å; D30-A428 HydrophobicContact CB-CB 3.96Å; D30-G429 PolarHBondContact OD2-N 2.84Å; D30-F430 PolarHBondContact OD2-N 3.31Å; D30-T431 WeakPolarHBondContact OD1-CB 3.43Å; D30-T431 PolarHBondContact OD1-OG1 3.48Å; D30-T431 WeakPolarHBondContact OD2-CB 3.25Å; D30-T431 PolarHBondContact OD2-N 3.31Å; D30-T431 PolarHBondContact OD2-OG1 3.16Å |
| 31 | V | 92.9 | Very high | 88.9 | Confident | 67 Ų | 67 | 41.7 Ų | 41.7 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.1 | -43 | -179.8 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | N27 L28 S33 L35 L425 A428 | N27-V31 WeakPolarHBondContact O-CG2 3.39Å; N27-V31 PolarHBondContact O-N 3.02Å; L28-V31 PolarHBondContact O-N 3.44Å; V31-S33 PolarHBondContact O-N 2.95Å; V31-L35 WeakPolarHBondContact O-CB 3.25Å; V31-L35 PolarHBondContact O-N 3.33Å; V31-L425 HydrophobicContact CG1-CD2 4.28Å; V31-A428 HydrophobicContact CG2-CB 3.83Å |
| 32 | V | 92 | Very high | 88.9 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 30% | 0.303 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | L28 D30 V36 I64 | L28-V32 WeakPolarHBondContact O-CG2 3.24Å; L28-V32 PolarHBondContact O-N 3.35Å; L28-V32 VanDerWaalsContact O-N 3.15Å; D30-V32 VanDerWaalsContact C-N 3.3Å; D30-V32 PolarHBondContact O-N 3.42Å; V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 3.48Å; V32-I64 HydrophobicContact CB-CD1 4.3Å; V32-I64 HydrophobicContact CG1-CD1 3.96Å |
| 33 | S | 91.8 | Very high | 89 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.2 | -41.4 | -177.2 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | L29 D30 V31 S37 I64 | L29-S33 WeakPolarHBondContact O-CB 3.27Å; L29-S33 PolarHBondContact O-N 2.93Å; L29-S33 PolarHBondContact O-OG 2.89Å; D30-S33 PolarHBondContact O-N 2.93Å; V31-S33 PolarHBondContact O-N 2.95Å; S33-S37 WeakPolarHBondContact O-CB 3.38Å; S33-S37 PolarHBondContact O-N 3.03Å; S33-S37 VanDerWaalsContact O-N 3.13Å; S33-S37 PolarHBondContact O-OG 3.48Å; S33-I64 WeakPolarHBondContact OG-CG2 3.46Å |
| 34 | A | 92.1 | Very high | 88.9 | Confident | 9 Ų | 9 | 37.3 Ų | 37.3 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D30 V36 S37 D38 N424 L425 A428 | D30-A34 VanDerWaalsContact O-CB 3.29Å; D30-A34 WeakPolarHBondContact O-CB 3.38Å; D30-A34 PolarHBondContact O-N 2.73Å; A34-V36 VanDerWaalsContact C-N 3.34Å; A34-V36 PolarHBondContact O-N 3.21Å; A34-S37 WeakPolarHBondContact O-CB 3.48Å; A34-S37 PolarHBondContact O-N 3.24Å; A34-D38 PolarHBondContact O-N 3.48Å; A34-N424 HydrophobicContact CB-CB 3.91Å; A34-L425 HydrophobicContact CB-CD2 3.76Å; A34-L425 HydrophobicContact CB-CG 3.87Å; A34-A428 HydrophobicContact CB-CB 4.28Å |
| 35 | L | 92.2 | Very high | 88.3 | Confident | 59 Ų | 59 | 40.8 Ų | 40.8 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.2 | -36.5 | 179.1 | -176.3 | 63.6 | 0 | 0 | 0 | 112.4 | V31 C39 F53 F420 L425 | V31-L35 WeakPolarHBondContact O-CB 3.25Å; V31-L35 PolarHBondContact O-N 3.33Å; L35-C39 VanDerWaalsContact O-CB 3.25Å; L35-C39 WeakPolarHBondContact O-CB 3.25Å; L35-C39 PolarHBondContact O-N 3.19Å; L35-C39 PolarHBondContact O-SG 2.96Å; L35-F53 HydrophobicContact CB-CZ 4.24Å; L35-F53 HydrophobicContact CD2-CE1 4.33Å; L35-F53 HydrophobicContact CD2-CE2 4Å; L35-F53 HydrophobicContact CD2-CZ 3.6Å; L35-F53 HydrophobicContact CG-CE1 3.94Å; L35-F53 HydrophobicContact CG-CE2 4.49Å; L35-F53 HydrophobicContact CG-CZ 3.63Å; L35-F420 HydrophobicContact CD1-CE2 4.12Å; L35-F420 HydrophobicContact CD1-CZ 4.24Å; L35-L425 HydrophobicContact CB-CD2 4.32Å; L35-L425 HydrophobicContact CD1-CD1 4.02Å |
| 36 | V | 92 | Very high | 88 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 171.2 | 168.4 | 0 | 0 | 0 | 0 | 111 | V32 A34 C39 D40 F53 L54 A61 | V32-V36 WeakPolarHBondContact O-CG2 3.49Å; V32-V36 PolarHBondContact O-N 3.48Å; A34-V36 VanDerWaalsContact C-N 3.34Å; A34-V36 PolarHBondContact O-N 3.21Å; V36-C39 PolarHBondContact O-N 3.34Å; V36-D40 PolarHBondContact O-N 3.4Å; V36-F53 HydrophobicContact CG2-CE1 3.86Å; V36-F53 HydrophobicContact CG2-CZ 3.85Å; V36-L54 HydrophobicContact CG1-CD2 4.11Å; V36-L54 WeakPolarHBondContact O-CD2 3.48Å; V36-A61 HydrophobicContact CB-CB 3.92Å; V36-A61 HydrophobicContact CG1-CB 3.86Å; V36-A61 HydrophobicContact CG2-CB 4.03Å |
| 37 | S | 89.2 | Confident | 88 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 46% | 0.462 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -50.4 | -178.9 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | S33 A34 C39 D40 | S33-S37 WeakPolarHBondContact O-CB 3.38Å; S33-S37 PolarHBondContact O-N 3.03Å; S33-S37 VanDerWaalsContact O-N 3.13Å; S33-S37 PolarHBondContact O-OG 3.48Å; A34-S37 WeakPolarHBondContact O-CB 3.48Å; A34-S37 PolarHBondContact O-N 3.24Å; S37-C39 PolarHBondContact O-N 3.44Å; S37-D40 PolarHBondContact O-N 3.45Å |
| 38 | D | 89.8 | Confident | 87.9 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.4 | -10.3 | 178.9 | -71.1 | -29.4 | 0 | 0 | 0 | 113 | A34 F41 F420 G422 S423 N424 L425 | A34-D38 PolarHBondContact O-N 3.48Å; D38-F41 WeakPolarHBondContact O-CD1 3.23Å; D38-F41 WeakPolarHBondContact O-CE1 3.45Å; D38-F420 HydrophobicContact CB-CD2 4.13Å; D38-F420 HydrophobicContact CB-CE2 3.73Å; D38-F420 HydrophobicContact CB-CZ 4.4Å; D38-F420 WeakPolarHBondContact O-CD2 3.48Å; D38-G422 WeakPolarHBondContact OD2-CA 2.88Å; D38-S423 PolarHBondContact OD1-N 3.35Å; D38-S423 PolarHBondContact OD1-OG 3.13Å; D38-S423 PolarHBondContact OD2-N 3.41Å; D38-N424 VanDerWaalsContact CG-N 3.35Å; D38-N424 PolarHBondContact OD1-N 2.93Å; D38-N424 PolarHBondContact OD1-ND2 2.72Å; D38-N424 WeakPolarHBondContact OD2-CA 3.49Å; D38-N424 PolarHBondContact OD2-N 3.13Å; D38-L425 PolarHBondContact OD2-N 2.65Å |
| 39 | C | 89.8 | Confident | 87.7 | Confident | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -92.3 | -13.4 | 171.5 | -74.2 | 0 | 0 | 0 | 0 | 114.7 | L35 V36 S37 F41 A44 V50 F53 L54 | L35-C39 VanDerWaalsContact O-CB 3.25Å; L35-C39 WeakPolarHBondContact O-CB 3.25Å; L35-C39 PolarHBondContact O-N 3.19Å; L35-C39 PolarHBondContact O-SG 2.96Å; V36-C39 PolarHBondContact O-N 3.34Å; S37-C39 PolarHBondContact O-N 3.44Å; C39-F41 PolarHBondContact O-N 3.02Å; C39-F41 VanDerWaalsContact O-N 3.14Å; C39-A44 WeakPolarHBondContact O-CB 3.45Å; C39-V50 HydrophobicContact CB-CG1 3.85Å; C39-F53 HydrophobicContact CB-CD1 4.46Å; C39-F53 HydrophobicContact CB-CE1 4.41Å; C39-L54 HydrophobicContact CB-CD2 3.88Å; C39-L54 HydrophobicContact CB-CG 4.36Å |
| 40 | D | 87.3 | Confident | 87.6 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | trans | -83.9 | 19.1 | -168.4 | -159.4 | 46.1 | 0 | 0 | 0 | 114.9 | V36 S37 K45 L54 | V36-D40 PolarHBondContact O-N 3.4Å; S37-D40 PolarHBondContact O-N 3.45Å; D40-K45 WeakPolarHBondContact O-CE 3.48Å; D40-K45 PolarHBondContact O-NZ 3.41Å; D40-K45 WeakPolarHBondContact OD1-CE 3.36Å; D40-K45 IonicContact OD1-NZ 3.74Å; D40-K45 PolarHBondContact OD1-NZ 3Å; D40-K45 IonicContact OD2-NZ 2.76Å; D40-K45 PolarHBondContact OD2-NZ 2.82Å; D40-L54 HydrophobicContact CB-CD2 4.48Å | ||
| 41 | F | 85.8 | Confident | 87.4 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -86.9 | 157.8 | -179.2 | 66.7 | -84.1 | 0 | 0 | 0 | 113.6 | D38 C39 S43 A44 K45 P417 F420 | D38-F41 WeakPolarHBondContact O-CD1 3.23Å; D38-F41 WeakPolarHBondContact O-CE1 3.45Å; C39-F41 PolarHBondContact O-N 3.02Å; C39-F41 VanDerWaalsContact O-N 3.14Å; F41-S43 PolarHBondContact O-N 3.31Å; F41-A44 HydrophobicContact CD1-CB 3.71Å; F41-A44 HydrophobicContact CD2-CB 3.98Å; F41-A44 HydrophobicContact CE1-CB 3.37Å; F41-A44 HydrophobicContact CE2-CB 3.67Å; F41-A44 HydrophobicContact CG-CB 4Å; F41-A44 HydrophobicContact CZ-CB 3.34Å; F41-A44 PolarHBondContact O-N 3.09Å; F41-K45 PolarHBondContact O-N 2.98Å; F41-P417 HydrophobicContact CB-CG 4.46Å; F41-P417 WeakPolarHBondContact CD2-O 3.48Å; F41-F420 HydrophobicContact CE1-CB 4.03Å; F41-F420 HydrophobicContact CE1-CD2 4.49Å; F41-F420 HydrophobicContact CZ-CB 4.03Å |
| 42 | P | 82.3 | Confident | 87.3 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 57% | 0.571 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -43 | -170.7 | -27.2 | 36.3 | 0 | 0 | 0 | 114.9 | K45 | P42-K45 PolarHBondContact O-N 3.24Š|
| 43 | S | 80.3 | Confident | 87.3 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -37.6 | -178.2 | -46.7 | 0 | 0 | 0 | 0 | 112.8 | F41 K45 N46 A418 | F41-S43 PolarHBondContact O-N 3.31Å; S43-K45 PolarHBondContact O-N 3.07Å; S43-N46 WeakPolarHBondContact O-CB 3.4Å; S43-N46 PolarHBondContact O-N 3.45Å; S43-N46 VanDerWaalsContact O-N 3.17Å; S43-N46 PolarHBondContact O-ND2 3.46Å; S43-A418 WeakPolarHBondContact CB-O 3.4Å; S43-A418 PolarHBondContact OG-O 3.48Å |
| 44 | A | 79.1 | Confident | 87.3 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -61 | -34.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C39 F41 N46 S47 V50 | C39-A44 WeakPolarHBondContact O-CB 3.45Å; F41-A44 HydrophobicContact CD1-CB 3.71Å; F41-A44 HydrophobicContact CD2-CB 3.98Å; F41-A44 HydrophobicContact CE1-CB 3.37Å; F41-A44 HydrophobicContact CE2-CB 3.67Å; F41-A44 HydrophobicContact CG-CB 4Å; F41-A44 HydrophobicContact CZ-CB 3.34Å; F41-A44 PolarHBondContact O-N 3.09Å; A44-N46 PolarHBondContact O-N 3.46Å; A44-S47 WeakPolarHBondContact O-CB 3.25Å; A44-S47 PolarHBondContact O-N 3.03Å; A44-V50 HydrophobicContact CB-CG1 4.17Å |
| 45 | K | 75.7 | Confident | 87.3 | Confident | 77 Ų | 77 | 68 Ų | 68 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -63.5 | -9.4 | 177.8 | -73.1 | 163.2 | 172.8 | 162 | 0 | 113.8 | D40 F41 P42 S43 S47 Q51 L54 | D40-K45 WeakPolarHBondContact O-CE 3.48Å; D40-K45 PolarHBondContact O-NZ 3.41Å; D40-K45 WeakPolarHBondContact OD1-CE 3.36Å; D40-K45 IonicContact OD1-NZ 3.74Å; D40-K45 PolarHBondContact OD1-NZ 3Å; D40-K45 IonicContact OD2-NZ 2.76Å; D40-K45 PolarHBondContact OD2-NZ 2.82Å; F41-K45 PolarHBondContact O-N 2.98Å; P42-K45 PolarHBondContact O-N 3.24Å; S43-K45 PolarHBondContact O-N 3.07Å; K45-S47 VanDerWaalsContact C-N 3.35Å; K45-Q51 WeakPolarHBondContact O-CG 3.49Å; K45-Q51 PolarHBondContact O-NE2 3.42Å; K45-L54 HydrophobicContact CG-CD1 4.36Å |
| 46 | N | 81.4 | Confident | 87.3 | Confident | 135 Ų | 135 | 71.9 Ų | 71.9 | 72% | 0.722 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -76.6 | -19.3 | 168.9 | -63.2 | -37.7 | 0 | 0 | 0 | 113.3 | S43 A44 | S43-N46 WeakPolarHBondContact O-CB 3.4Å; S43-N46 PolarHBondContact O-N 3.45Å; S43-N46 VanDerWaalsContact O-N 3.17Å; S43-N46 PolarHBondContact O-ND2 3.46Å; A44-N46 PolarHBondContact O-N 3.46Å |
| 47 | S | 87.8 | Confident | 87.4 | Confident | 51 Ų | 51 | 75.3 Ų | 75.3 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | trans | -83.3 | 119.3 | 176.8 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | A44 K45 S49 V50 Q51 | A44-S47 WeakPolarHBondContact O-CB 3.25Å; A44-S47 PolarHBondContact O-N 3.03Å; K45-S47 VanDerWaalsContact C-N 3.35Å; S47-S49 PolarHBondContact O-N 3.07Å; S47-V50 PolarHBondContact O-N 2.98Å; S47-V50 VanDerWaalsContact O-N 3.07Å; S47-Q51 PolarHBondContact O-N 3.18Å | ||
| 48 | K | 88 | Confident | 87.6 | Confident | 178 Ų | 178 | 73.7 Ų | 73.7 | 77% | 0.774 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -55.8 | -35.5 | 175.6 | -67.6 | -177.9 | 179.1 | 178.2 | 0 | 112.5 | S52 | K48-S52 WeakPolarHBondContact O-CB 3.32Å; K48-S52 PolarHBondContact O-N 3.07Å |
| 49 | S | 88.4 | Confident | 87.7 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 66% | 0.657 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 177.4 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | S47 S52 F53 | S47-S49 PolarHBondContact O-N 3.07Å; S49-S52 PolarHBondContact O-N 3.03Å; S49-F53 WeakPolarHBondContact O-CB 3.24Å; S49-F53 PolarHBondContact O-N 2.96Å |
| 50 | V | 89 | Confident | 87.8 | Confident | 31 Ų | 31 | 80.5 Ų | 80.5 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.1 | -39.8 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | C39 A44 S47 S52 F53 L54 | C39-V50 HydrophobicContact CB-CG1 3.85Å; A44-V50 HydrophobicContact CB-CG1 4.17Å; S47-V50 PolarHBondContact O-N 2.98Å; S47-V50 VanDerWaalsContact O-N 3.07Å; V50-S52 VanDerWaalsContact C-N 3.28Å; V50-S52 PolarHBondContact O-N 3.46Å; V50-F53 PolarHBondContact O-N 3.48Å; V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.11Å; V50-L54 WeakPolarHBondContact O-CB 3.44Å; V50-L54 WeakPolarHBondContact O-CG 3.28Å; V50-L54 PolarHBondContact O-N 3.04Å |
| 51 | Q | 88.3 | Confident | 88 | Confident | 107 Ų | 107 | 77 Ų | 77 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.2 | -44.2 | 170.6 | -70.1 | -175.5 | 1.3 | 0 | 0 | 111.8 | K45 S47 K55 | K45-Q51 WeakPolarHBondContact O-CG 3.49Å; K45-Q51 PolarHBondContact O-NE2 3.42Å; S47-Q51 PolarHBondContact O-N 3.18Å; Q51-K55 WeakPolarHBondContact O-CB 3.41Å; Q51-K55 PolarHBondContact O-N 3.29Å |
| 52 | S | 90.5 | Very high | 88.2 | Confident | 80 Ų | 80 | 82.1 Ų | 82.1 | 56% | 0.559 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.3 | -45.3 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | K48 S49 V50 K55 K56 | K48-S52 WeakPolarHBondContact O-CB 3.32Å; K48-S52 PolarHBondContact O-N 3.07Å; S49-S52 PolarHBondContact O-N 3.03Å; V50-S52 VanDerWaalsContact C-N 3.28Å; V50-S52 PolarHBondContact O-N 3.46Å; S52-K55 PolarHBondContact O-N 3.31Å; S52-K56 WeakPolarHBondContact O-CB 3.32Å; S52-K56 PolarHBondContact O-N 3.38Å |
| 53 | F | 92.9 | Very high | 88.6 | Confident | 50 Ų | 50 | 82.1 Ų | 82.1 | 22% | 0.219 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.1 | -53.9 | 175 | 171.4 | -102.6 | 0 | 0 | 0 | 111.9 | L35 V36 C39 S49 V50 K55 K56 Y57 | L35-F53 HydrophobicContact CB-CZ 4.24Å; L35-F53 HydrophobicContact CD2-CE1 4.33Å; L35-F53 HydrophobicContact CD2-CE2 4Å; L35-F53 HydrophobicContact CD2-CZ 3.6Å; L35-F53 HydrophobicContact CG-CE1 3.94Å; L35-F53 HydrophobicContact CG-CE2 4.49Å; L35-F53 HydrophobicContact CG-CZ 3.63Å; V36-F53 HydrophobicContact CG2-CE1 3.86Å; V36-F53 HydrophobicContact CG2-CZ 3.85Å; C39-F53 HydrophobicContact CB-CD1 4.46Å; C39-F53 HydrophobicContact CB-CE1 4.41Å; S49-F53 WeakPolarHBondContact O-CB 3.24Å; S49-F53 PolarHBondContact O-N 2.96Å; V50-F53 PolarHBondContact O-N 3.48Å; F53-K55 VanDerWaalsContact C-N 3.35Å; F53-K55 PolarHBondContact O-N 2.96Å; F53-K56 PolarHBondContact O-N 2.99Å; F53-K56 VanDerWaalsContact O-N 3.09Å; F53-Y57 AromaticContact CD2-CD2 3.44Å; F53-Y57 HydrophobicContact CD2-CD2 3.44Å; F53-Y57 VanDerWaalsContact CD2-CD2 3.44Å; F53-Y57 AromaticContact CD2-CE2 3.91Å; F53-Y57 HydrophobicContact CD2-CE2 3.91Å; F53-Y57 HydrophobicContact CD2-CG 4.39Å; F53-Y57 AromaticContact CE2-CD2 3.48Å; F53-Y57 HydrophobicContact CE2-CD2 3.48Å; F53-Y57 VanDerWaalsContact CE2-CD2 3.48Å; F53-Y57 HydrophobicContact CE2-CE2 4.07Å; F53-Y57 HydrophobicContact CE2-CG 4.06Å; F53-Y57 HydrophobicContact CG-CD2 4.33Å; F53-Y57 HydrophobicContact CZ-CD2 4.41Å; F53-Y57 WeakPolarHBondContact O-CD2 3.32Å; F53-Y57 PolarHBondContact O-N 3.47Å |
| 54 | L | 92.5 | Very high | 89.1 | Confident | 13 Ų | 13 | 80.5 Ų | 80.5 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58 | -46 | 178 | -70.4 | 174.2 | 0 | 0 | 0 | 111.1 | V36 C39 D40 K45 V50 K56 Y57 S58 | V36-L54 HydrophobicContact CG1-CD2 4.11Å; V36-L54 WeakPolarHBondContact O-CD2 3.48Å; C39-L54 HydrophobicContact CB-CD2 3.88Å; C39-L54 HydrophobicContact CB-CG 4.36Å; D40-L54 HydrophobicContact CB-CD2 4.48Å; K45-L54 HydrophobicContact CG-CD1 4.36Å; V50-L54 HydrophobicContact CG1-CD1 3.95Å; V50-L54 HydrophobicContact CG1-CG 4.11Å; V50-L54 WeakPolarHBondContact O-CB 3.44Å; V50-L54 WeakPolarHBondContact O-CG 3.28Å; V50-L54 PolarHBondContact O-N 3.04Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 2.89Å; L54-Y57 PolarHBondContact O-N 3.38Å; L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.9Å; L54-S58 PolarHBondContact O-OG 2.94Å |
| 55 | K | 91 | Very high | 89.5 | Confident | 191 Ų | 191 | 85.4 Ų | 85.4 | 83% | 0.83 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.2 | -34.8 | 177.4 | -176.6 | 178.1 | 178.1 | -177.6 | 0 | 112.7 | Q51 S52 F53 | Q51-K55 WeakPolarHBondContact O-CB 3.41Å; Q51-K55 PolarHBondContact O-N 3.29Å; S52-K55 PolarHBondContact O-N 3.31Å; F53-K55 VanDerWaalsContact C-N 3.35Å; F53-K55 PolarHBondContact O-N 2.96Å |
| 56 | K | 92.9 | Very high | 90.1 | Very high | 140 Ų | 140 | 85.1 Ų | 85.1 | 61% | 0.609 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -80.1 | -40.1 | 180 | -172.1 | 176.7 | 175.5 | -159.2 | 0 | 113.2 | S52 F53 L54 | S52-K56 WeakPolarHBondContact O-CB 3.32Å; S52-K56 PolarHBondContact O-N 3.38Å; F53-K56 PolarHBondContact O-N 2.99Å; F53-K56 VanDerWaalsContact O-N 3.09Å; L54-K56 VanDerWaalsContact C-N 3.25Å; L54-K56 PolarHBondContact O-N 2.89Å |
| 57 | Y | 94.3 | Very high | 90.4 | Very high | 84 Ų | 84 | 88.9 Ų | 88.9 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -109.3 | -13.9 | -168.2 | -66.5 | -77.3 | 0 | 0 | 0 | 115.7 | F53 L54 Q59 A60 A61 | F53-Y57 AromaticContact CD2-CD2 3.44Å; F53-Y57 HydrophobicContact CD2-CD2 3.44Å; F53-Y57 VanDerWaalsContact CD2-CD2 3.44Å; F53-Y57 AromaticContact CD2-CE2 3.91Å; F53-Y57 HydrophobicContact CD2-CE2 3.91Å; F53-Y57 HydrophobicContact CD2-CG 4.39Å; F53-Y57 AromaticContact CE2-CD2 3.48Å; F53-Y57 HydrophobicContact CE2-CD2 3.48Å; F53-Y57 VanDerWaalsContact CE2-CD2 3.48Å; F53-Y57 HydrophobicContact CE2-CE2 4.07Å; F53-Y57 HydrophobicContact CE2-CG 4.06Å; F53-Y57 HydrophobicContact CG-CD2 4.33Å; F53-Y57 HydrophobicContact CZ-CD2 4.41Å; F53-Y57 WeakPolarHBondContact O-CD2 3.32Å; F53-Y57 PolarHBondContact O-N 3.47Å; L54-Y57 PolarHBondContact O-N 3.38Å; Y57-Q59 PolarHBondContact O-N 3.33Å; Y57-Q59 VanDerWaalsContact O-N 3.16Å; Y57-A60 WeakPolarHBondContact O-CB 3.23Å; Y57-A60 PolarHBondContact O-N 2.92Å; Y57-A61 PolarHBondContact O-N 3.23Å |
| 58 | S | 92.2 | Very high | 90.5 | Very high | 33 Ų | 33 | 88.3 Ų | 88.3 | 23% | 0.231 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.2 | -29.9 | -179.9 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | L54 K62 | L54-S58 WeakPolarHBondContact O-CB 3.39Å; L54-S58 PolarHBondContact O-N 2.9Å; L54-S58 PolarHBondContact O-OG 2.94Å; S58-K62 WeakPolarHBondContact O-CB 3.29Å; S58-K62 VanDerWaalsContact O-CG 3.24Å; S58-K62 WeakPolarHBondContact O-CG 3.48Å; S58-K62 PolarHBondContact O-N 3.27Å |
| 59 | Q | 93 | Very high | 90.6 | Very high | 123 Ų | 123 | 81.3 Ų | 81.3 | 58% | 0.575 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -74 | -33.5 | 174.7 | -173.5 | 59 | 22.7 | 0 | 0 | 112.2 | Y57 I63 | Y57-Q59 PolarHBondContact O-N 3.33Å; Y57-Q59 VanDerWaalsContact O-N 3.16Å; Q59-I63 HydrophobicContact CG-CD1 4.25Å; Q59-I63 WeakPolarHBondContact O-CD1 3.28Å; Q59-I63 VanDerWaalsContact O-CG1 3.26Å; Q59-I63 WeakPolarHBondContact O-CG1 3.44Å; Q59-I63 PolarHBondContact O-N 3.22Å |
| 60 | A | 90.9 | Very high | 90.7 | Very high | 39 Ų | 39 | 79.9 Ų | 79.9 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.4 | -46.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y57 K62 I63 I64 | Y57-A60 WeakPolarHBondContact O-CB 3.23Å; Y57-A60 PolarHBondContact O-N 2.92Å; A60-K62 PolarHBondContact O-N 3.37Å; A60-I63 WeakPolarHBondContact O-CB 3.16Å; A60-I63 PolarHBondContact O-N 3Å; A60-I64 WeakPolarHBondContact O-CG1 3.45Å; A60-I64 PolarHBondContact O-N 2.92Å |
| 61 | A | 90.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 81.5 Ų | 81.5 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V36 Y57 I63 I64 E65 | V36-A61 HydrophobicContact CB-CB 3.92Å; V36-A61 HydrophobicContact CG1-CB 3.86Å; V36-A61 HydrophobicContact CG2-CB 4.03Å; Y57-A61 PolarHBondContact O-N 3.23Å; A61-I63 VanDerWaalsContact C-N 3.3Å; A61-I63 PolarHBondContact O-N 3.04Å; A61-I64 PolarHBondContact O-N 3.13Å; A61-E65 VanDerWaalsContact O-CB 3.31Å; A61-E65 WeakPolarHBondContact O-CB 3.34Å; A61-E65 PolarHBondContact O-N 3.18Å |
| 62 | K | 91.3 | Very high | 91.2 | Very high | 131 Ų | 131 | 80.9 Ų | 80.9 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.8 | -36.3 | 173.5 | -76.8 | 174 | -178.7 | -177.3 | 0 | 113.4 | S58 A60 S66 | S58-K62 WeakPolarHBondContact O-CB 3.29Å; S58-K62 VanDerWaalsContact O-CG 3.24Å; S58-K62 WeakPolarHBondContact O-CG 3.48Å; S58-K62 PolarHBondContact O-N 3.27Å; A60-K62 PolarHBondContact O-N 3.37Å; K62-S66 WeakPolarHBondContact O-CB 3.4Å; K62-S66 PolarHBondContact O-N 2.91Å; K62-S66 PolarHBondContact O-OG 3.18Å |
| 63 | I | 91.5 | Very high | 91.3 | Very high | 87 Ų | 87 | 79.8 Ų | 79.8 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.4 | -49 | 175.5 | -72.1 | 164.6 | 0 | 0 | 0 | 110.1 | Q59 A60 A61 E65 S66 R67 | Q59-I63 HydrophobicContact CG-CD1 4.25Å; Q59-I63 WeakPolarHBondContact O-CD1 3.28Å; Q59-I63 VanDerWaalsContact O-CG1 3.26Å; Q59-I63 WeakPolarHBondContact O-CG1 3.44Å; Q59-I63 PolarHBondContact O-N 3.22Å; A60-I63 WeakPolarHBondContact O-CB 3.16Å; A60-I63 PolarHBondContact O-N 3Å; A61-I63 VanDerWaalsContact C-N 3.3Å; A61-I63 PolarHBondContact O-N 3.04Å; I63-E65 PolarHBondContact O-N 3.38Å; I63-S66 WeakPolarHBondContact CA-OG 3.26Å; I63-S66 PolarHBondContact O-N 2.68Å; I63-S66 VanDerWaalsContact O-N 3.1Å; I63-S66 PolarHBondContact O-OG 2.87Å; I63-R67 HydrophobicContact CG2-CG 4.42Å; I63-R67 VanDerWaalsContact O-CG 3.29Å; I63-R67 WeakPolarHBondContact O-CG 3.42Å; I63-R67 PolarHBondContact O-N 3.32Å; I63-R67 VanDerWaalsContact O-N 3.13Å |
| 64 | I | 90.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 77.8 Ų | 77.8 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.1 | -52.4 | 177.1 | -63.9 | 162.6 | 0 | 0 | 0 | 110.1 | L29 V32 S33 A60 A61 S66 R67 R68 | L29-I64 HydrophobicContact CB-CD1 4.4Å; L29-I64 HydrophobicContact CB-CG2 4.25Å; L29-I64 HydrophobicContact CD2-CD1 3.74Å; L29-I64 HydrophobicContact CD2-CG1 4.09Å; V32-I64 HydrophobicContact CB-CD1 4.3Å; V32-I64 HydrophobicContact CG1-CD1 3.96Å; S33-I64 WeakPolarHBondContact OG-CG2 3.46Å; A60-I64 WeakPolarHBondContact O-CG1 3.45Å; A60-I64 PolarHBondContact O-N 2.92Å; A61-I64 PolarHBondContact O-N 3.13Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 3.39Å; I64-R67 PolarHBondContact O-N 3.04Å; I64-R67 VanDerWaalsContact O-N 3.09Å; I64-R68 HydrophobicContact CG2-CG 4.39Å; I64-R68 PolarHBondContact O-N 2.89Å; I64-R68 VanDerWaalsContact O-N 3.07Å |
| 65 | E | 87.4 | Confident | 91.5 | Very high | 117 Ų | 117 | 81.1 Ų | 81.1 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.1 | -34.2 | 177.2 | -160.7 | -136.5 | 128.6 | 0 | 0 | 112.1 | A61 I63 R67 K70 | A61-E65 VanDerWaalsContact O-CB 3.31Å; A61-E65 WeakPolarHBondContact O-CB 3.34Å; A61-E65 PolarHBondContact O-N 3.18Å; I63-E65 PolarHBondContact O-N 3.38Å; E65-R67 VanDerWaalsContact C-N 3.33Å; E65-R67 PolarHBondContact O-N 2.99Å; E65-K70 WeakPolarHBondContact O-CE 3.43Å; E65-K70 PolarHBondContact O-NZ 2.86Å; E65-K70 IonicContact OE1-NZ 2.63Å; E65-K70 PolarHBondContact OE1-NZ 3.14Å |
| 66 | S | 88.7 | Confident | 91.7 | Very high | 71 Ų | 71 | 74.7 Ų | 74.7 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76.9 | -12.8 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 115.1 | K62 I63 I64 | K62-S66 WeakPolarHBondContact O-CB 3.4Å; K62-S66 PolarHBondContact O-N 2.91Å; K62-S66 PolarHBondContact O-OG 3.18Å; I63-S66 WeakPolarHBondContact CA-OG 3.26Å; I63-S66 PolarHBondContact O-N 2.68Å; I63-S66 VanDerWaalsContact O-N 3.1Å; I63-S66 PolarHBondContact O-OG 2.87Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 3.39Å |
| 67 | R | 87.8 | Confident | 91.7 | Very high | 213 Ų | 213 | 71.4 Ų | 71.4 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -112.9 | -20.9 | -173.9 | -65.5 | -57.6 | -173.1 | -178.6 | 1.9 | 114.3 | I63 I64 E65 | I63-R67 HydrophobicContact CG2-CG 4.42Å; I63-R67 VanDerWaalsContact O-CG 3.29Å; I63-R67 WeakPolarHBondContact O-CG 3.42Å; I63-R67 PolarHBondContact O-N 3.32Å; I63-R67 VanDerWaalsContact O-N 3.13Å; I64-R67 PolarHBondContact O-N 3.04Å; I64-R67 VanDerWaalsContact O-N 3.09Å; E65-R67 VanDerWaalsContact C-N 3.33Å; E65-R67 PolarHBondContact O-N 2.99Å |
| 68 | R | 89.3 | Confident | 91.6 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -75.5 | 156.8 | 174.2 | -77.9 | 176.8 | 163.5 | -179.4 | -21.5 | 112.5 | E26 D30 I64 | E26-R68 PolarHBondContact O-NH2 3.27Å; E26-R68 IonicContact OE2-CZ 3.15Å; E26-R68 IonicContact OE2-NE 2.91Å; E26-R68 PolarHBondContact OE2-NE 2.89Å; E26-R68 IonicContact OE2-NH2 2.71Å; E26-R68 PolarHBondContact OE2-NH2 2.67Å; D30-R68 IonicContact OD1-CZ 3.99Å; D30-R68 VanDerWaalsContact OD1-CZ 3.23Å; D30-R68 IonicContact OD1-NH1 2.89Å; D30-R68 PolarHBondContact OD1-NH1 3.5Å; D30-R68 IonicContact OD1-NH2 2.74Å; D30-R68 PolarHBondContact OD1-NH2 3.45Å; I64-R68 HydrophobicContact CG2-CG 4.39Å; I64-R68 PolarHBondContact O-N 2.89Å; I64-R68 VanDerWaalsContact O-N 3.07Å |
| 69 | T | 89.8 | Confident | 91.5 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | trans | -55.3 | 136 | 172 | -54.2 | 0 | 0 | 0 | 0 | 111 | F74 F140 | T69-F74 HydrophobicContact CG2-CE2 3.64Å; T69-F74 HydrophobicContact CG2-CZ 3.92Å; T69-F140 HydrophobicContact CG2-CD1 3.84Å; T69-F140 HydrophobicContact CG2-CE1 3.92Å; T69-F140 HydrophobicContact CG2-CG 4.35Å | ||
| 70 | K | 90.9 | Very high | 91.4 | Very high | 63 Ų | 63 | 64 Ų | 64 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | trans | -124.9 | 156.4 | 175.8 | -55.7 | -164.1 | -177 | -148.1 | 0 | 111.2 | E65 T72 D73 F74 | E65-K70 WeakPolarHBondContact O-CE 3.43Å; E65-K70 PolarHBondContact O-NZ 2.86Å; E65-K70 IonicContact OE1-NZ 2.63Å; E65-K70 PolarHBondContact OE1-NZ 3.14Å; K70-T72 VanDerWaalsContact CB-OG1 3.3Å; K70-T72 WeakPolarHBondContact CB-OG1 3.37Å; K70-T72 PolarHBondContact O-N 2.72Å; K70-T72 VanDerWaalsContact O-N 3.14Å; K70-D73 PolarHBondContact N-OD2 2.71Å; K70-D73 WeakPolarHBondContact O-CB 3.34Å; K70-D73 PolarHBondContact O-N 2.95Å; K70-F74 WeakPolarHBondContact O-CD2 3.46Å; K70-F74 WeakPolarHBondContact O-CE2 3.42Å | ||
| 71 | Y | 93.3 | Very high | 91.2 | Very high | 66 Ų | 66 | 62.8 Ų | 62.8 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -54.7 | -32.8 | 169.2 | -178.5 | -112.5 | 0 | 0 | 0 | 112.2 | D73 F74 E89 L104 F140 Y147 | Y71-D73 PolarHBondContact O-N 3.31Å; Y71-D73 VanDerWaalsContact O-N 3.17Å; Y71-F74 PolarHBondContact O-N 3.09Å; Y71-F74 VanDerWaalsContact O-N 3.15Å; Y71-E89 VanDerWaalsContact CE2-OE2 3.25Å; Y71-E89 WeakPolarHBondContact CE2-OE2 3.48Å; Y71-E89 PolarHBondContact OH-OE1 2.89Å; Y71-E89 PolarHBondContact OH-OE2 2.76Å; Y71-L104 HydrophobicContact CD2-CD2 4.35Å; Y71-L104 HydrophobicContact CE2-CD2 3.87Å; Y71-F140 VanDerWaalsContact N-CE2 3.31Å; Y71-Y147 HydrophobicContact CD2-CD1 4.02Å; Y71-Y147 AromaticContact CD2-CE1 3.44Å; Y71-Y147 HydrophobicContact CD2-CE1 3.44Å; Y71-Y147 VanDerWaalsContact CD2-CE1 3.44Å; Y71-Y147 HydrophobicContact CE2-CE1 4.22Å; Y71-Y147 AromaticContact CG-CE1 3.67Å; Y71-Y147 HydrophobicContact CG-CE1 3.67Å |
| 72 | T | 93.4 | Very high | 90.8 | Very high | 94 Ų | 94 | 66.4 Ų | 66.4 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -63.3 | -17.5 | 175.1 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | K70 F74 K94 | K70-T72 VanDerWaalsContact CB-OG1 3.3Å; K70-T72 WeakPolarHBondContact CB-OG1 3.37Å; K70-T72 PolarHBondContact O-N 2.72Å; K70-T72 VanDerWaalsContact O-N 3.14Å; T72-F74 PolarHBondContact O-N 2.93Å; T72-K94 PolarHBondContact O-NZ 3.47Å |
| 73 | D | 93.1 | Very high | 89.9 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -79.6 | -8.4 | 178.6 | -55.5 | -28.3 | 0 | 0 | 0 | 112.3 | K70 Y71 H93 K94 | K70-D73 PolarHBondContact N-OD2 2.71Å; K70-D73 WeakPolarHBondContact O-CB 3.34Å; K70-D73 PolarHBondContact O-N 2.95Å; Y71-D73 PolarHBondContact O-N 3.31Å; Y71-D73 VanDerWaalsContact O-N 3.17Å; D73-H93 PolarHBondContact O-CD2 3Å; D73-K94 VanDerWaalsContact O-CB 3.31Å; D73-K94 WeakPolarHBondContact O-CB 3.47Å; D73-K94 WeakPolarHBondContact O-CG 3.26Å; D73-K94 PolarHBondContact O-N 3.45Å |
| 74 | F | 95.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149.8 | 179 | -57.6 | -95.3 | 0 | 0 | 0 | 112.2 | T69 K70 Y71 T72 A91 R92 H93 K94 Y100 I102 Y138 F140 C149 | T69-F74 HydrophobicContact CG2-CE2 3.64Å; T69-F74 HydrophobicContact CG2-CZ 3.92Å; K70-F74 WeakPolarHBondContact O-CD2 3.46Å; K70-F74 WeakPolarHBondContact O-CE2 3.42Å; Y71-F74 PolarHBondContact O-N 3.09Å; Y71-F74 VanDerWaalsContact O-N 3.15Å; T72-F74 PolarHBondContact O-N 2.93Å; F74-A91 HydrophobicContact CB-CB 4.1Å; F74-R92 WeakPolarHBondContact CA-O 3.24Å; F74-H93 HydrophobicContact CD1-CB 3.73Å; F74-H93 HydrophobicContact CE1-CB 3.7Å; F74-K94 VanDerWaalsContact C-CE 3.45Å; F74-K94 WeakPolarHBondContact O-CE 3.44Å; F74-K94 PolarHBondContact O-NZ 3.11Å; F74-Y100 AromaticContact CE1-CD2 4Å; F74-Y100 HydrophobicContact CE1-CD2 4Å; F74-I102 HydrophobicContact CB-CD1 4.13Å; F74-I102 HydrophobicContact CD1-CD1 3.63Å; F74-I102 HydrophobicContact CD2-CD1 4.01Å; F74-I102 HydrophobicContact CE1-CD1 3.95Å; F74-I102 HydrophobicContact CE2-CD1 4.31Å; F74-I102 HydrophobicContact CG-CD1 3.66Å; F74-I102 HydrophobicContact CZ-CD1 4.29Å; F74-Y138 HydrophobicContact CZ-CD2 4.36Å; F74-F140 HydrophobicContact CD2-CZ 4.33Å; F74-F140 AromaticContact CE2-CE1 3.77Å; F74-F140 HydrophobicContact CE2-CE1 3.77Å; F74-F140 AromaticContact CE2-CZ 3.75Å; F74-F140 HydrophobicContact CE2-CZ 3.75Å; F74-F140 HydrophobicContact CZ-CE1 4.15Å; F74-C149 VanDerWaalsContact CE1-SG 3.59Å |
| 75 | E | 94.7 | Very high | 87.7 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 105.8 | 173.3 | 174.7 | 175.2 | -133.9 | 0 | 0 | 106.9 | I77 A91 R92 K94 R97 | E75-I77 PolarHBondContact O-N 3.34Å; E75-A91 CarbonylContact O-C 3.59Å; E75-A91 WeakPolarHBondContact O-CA 3.08Å; E75-R92 HydrophobicContact CB-CB 4.41Å; E75-R92 WeakPolarHBondContact CB-O 3.14Å; E75-R92 PolarHBondContact N-O 3.12Å; E75-R92 PolarHBondContact O-N 2.85Å; E75-K94 HydrophobicContact CB-CG 4Å; E75-R97 IonicContact OE2-CZ 2.69Å; E75-R97 IonicContact OE2-NH1 3.88Å; E75-R97 PolarHBondContact OE2-NH1 2.85Å; E75-R97 IonicContact OE2-NH2 2.71Å; E75-R97 PolarHBondContact OE2-NH2 3.27Å |
| 76 | L | 94.2 | Very high | 87.4 | Confident | 57 Ų | 57 | 58 Ų | 58 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 129.4 | 175.9 | 174.2 | 60 | 0 | 0 | 0 | 109.7 | E89 L402 | L76-E89 HydrophobicContact CD1-CB 3.65Å; L76-E89 HydrophobicContact CD1-CG 3.68Å; L76-L402 HydrophobicContact CD2-CD2 3.67Å |
| 77 | I | 93.2 | Very high | 87.4 | Confident | 70 Ų | 70 | 59.4 Ų | 59.4 | 36% | 0.359 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -53.2 | 177 | -59.5 | 154.2 | 0 | 0 | 0 | 110.1 | E75 L90 R92 V99 T378 | E75-I77 PolarHBondContact O-N 3.34Å; I77-L90 WeakPolarHBondContact CA-O 3.49Å; I77-L90 HydrophobicContact CB-CB 4.49Å; I77-L90 HydrophobicContact CB-CD2 4.21Å; I77-L90 HydrophobicContact CB-CG 4.22Å; I77-L90 WeakPolarHBondContact CB-O 3.48Å; I77-L90 HydrophobicContact CD1-CD2 4.23Å; I77-L90 HydrophobicContact CD1-CG 3.92Å; I77-L90 HydrophobicContact CG2-CD2 4.01Å; I77-L90 PolarHBondContact N-O 2.87Å; I77-R92 HydrophobicContact CD1-CB 3.9Å; I77-R92 HydrophobicContact CG1-CB 4.41Å; I77-V99 HydrophobicContact CD1-CG1 4.32Å; I77-T378 HydrophobicContact CD1-CG2 3.39Å; I77-T378 HydrophobicContact CG1-CG2 4.48Å |
| 78 | K | 91.6 | Very high | 87.7 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 21% | 0.213 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 155 | -174.3 | -157 | -160.2 | 171.5 | -162.5 | 0 | 110.9 | I80 L90 T380 E387 | K78-I80 HydrophobicContact CB-CG2 4.46Å; K78-I80 HydrophobicContact CD-CG2 4.29Å; K78-L90 HydrophobicContact CB-CB 4.38Å; K78-L90 PolarHBondContact N-O 3.05Å; K78-L90 PolarHBondContact O-N 3.22Å; K78-T380 HydrophobicContact CD-CG2 3.86Å; K78-T380 PolarHBondContact NZ-OG1 2.99Å; K78-T380 VanDerWaalsContact NZ-OG1 3.08Å; K78-E387 WeakPolarHBondContact CE-OE1 3.47Å; K78-E387 WeakPolarHBondContact CG-OE1 3.25Å |
| 79 | V | 91.7 | Very high | 87.9 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 134.7 | 160.2 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | E89 F385 L390 | V79-E89 HydrophobicContact CG2-CG 4.47Å; V79-F385 HydrophobicContact CB-CE1 4.1Å; V79-F385 HydrophobicContact CG1-CE1 3.7Å; V79-F385 HydrophobicContact CG1-CZ 4.1Å; V79-L390 HydrophobicContact CB-CD1 4.16Å; V79-L390 HydrophobicContact CG1-CD1 4.42Å; V79-L390 HydrophobicContact CG1-CD2 4.25Å; V79-L390 HydrophobicContact CG2-CD1 4.18Å |
| 80 | I | 90.6 | Very high | 88.2 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -2.5 | -176.9 | 59 | 170.4 | 0 | 0 | 0 | 113.7 | K78 V88 L90 A101 Y152 T380 I383 F385 | K78-I80 HydrophobicContact CB-CG2 4.46Å; K78-I80 HydrophobicContact CD-CG2 4.29Å; I80-V88 HydrophobicContact CD1-CG1 3.94Å; I80-V88 HydrophobicContact CG1-CB 4.15Å; I80-V88 HydrophobicContact CG1-CG1 3.78Å; I80-V88 PolarHBondContact N-O 3.04Å; I80-L90 HydrophobicContact CD1-CB 4.25Å; I80-L90 HydrophobicContact CG1-CB 4.49Å; I80-L90 HydrophobicContact CG2-CB 3.81Å; I80-A101 HydrophobicContact CD1-CB 4.08Å; I80-Y152 HydrophobicContact CD1-CD2 4.08Å; I80-Y152 HydrophobicContact CD1-CE2 3.82Å; I80-T380 HydrophobicContact CG2-CG2 3.96Å; I80-I383 HydrophobicContact CB-CD1 4.42Å; I80-I383 HydrophobicContact CG2-CD1 4.48Å; I80-F385 WeakPolarHBondContact O-CB 3.36Å |
| 81 | G | 86.6 | Confident | 88.4 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 160.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V88 | G81-V88 PolarHBondContact N-O 3.34Å; G81-V88 PolarHBondContact O-N 3.19Å |
| 82 | Q | 82.8 | Confident | 88.6 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 133.5 | 172.8 | -174.2 | 176.4 | -4.1 | 0 | 0 | 110 | R87 F385 | Q82-R87 HydrophobicContact CG-CB 4.42Å; Q82-F385 HydrophobicContact CB-CE2 4.17Å; Q82-F385 HydrophobicContact CB-CZ 4.27Å |
| 83 | G | 70.7 | Confident | 88.6 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 179.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F85 G86 | G83-F85 VanDerWaalsContact C-N 3.28Å; G83-F85 PolarHBondContact O-N 3.4Å; G83-G86 PolarHBondContact N-O 2.88Å; G83-G86 PolarHBondContact O-N 3.43Å |
| 84 | G | 67.5 | Low | 88.7 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 55% | 0.546 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -35.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H109 F409 | G84-H109 PolarHBondContact O-CE1 2.92Å; G84-H109 PolarHBondContact O-NE2 3.45Å; G84-F409 WeakPolarHBondContact O-CE1 3.48Å |
| 85 | F | 69.2 | Low | 88.5 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -8.1 | -175.5 | -52 | -62.4 | 0 | 0 | 0 | 114.5 | G83 M105 H109 L110 H113 | G83-F85 VanDerWaalsContact C-N 3.28Å; G83-F85 PolarHBondContact O-N 3.4Å; F85-M105 HydrophobicContact CB-CG 4.41Å; F85-M105 HydrophobicContact CB-SD 4.22Å; F85-M105 WeakPolarHBondContact O-CA 3.43Å; F85-H109 AromaticContact CD1-CD2 3.85Å; F85-H109 AromaticContact CD1-NE2 3.96Å; F85-L110 HydrophobicContact CB-CD2 4.23Å; F85-L110 HydrophobicContact CD1-CD2 4.38Å; F85-L110 HydrophobicContact CG-CD2 4.4Å; F85-H113 HydrophobicContact CE1-CB 4.35Å |
| 86 | G | 81.2 | Confident | 88.3 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | -167.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | G83 L104 | G83-G86 PolarHBondContact N-O 2.88Å; G83-G86 PolarHBondContact O-N 3.43Å; G86-L104 CarbonylContact C-O 3.57Å; G86-L104 WeakPolarHBondContact CA-O 3.5Å |
| 87 | R | 89.1 | Confident | 88.2 | Confident | 100 Ų | 100 | 52 Ų | 52 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 153.9 | 177.4 | 70.7 | -178.1 | -169.3 | -94.8 | -3.7 | 112.4 | Q82 E89 K103 L104 | Q82-R87 HydrophobicContact CG-CB 4.42Å; R87-E89 IonicContact CZ-OE1 3.63Å; R87-E89 IonicContact NE-OE1 3.45Å; R87-E89 PolarHBondContact NE-OE1 3.01Å; R87-E89 IonicContact NH2-OE1 3.51Å; R87-E89 PolarHBondContact NH2-OE1 3.08Å; R87-K103 WeakPolarHBondContact O-CA 3.44Å; R87-L104 HydrophobicContact CG-CB 4.47Å; R87-L104 HydrophobicContact CG-CD1 4.36Å; R87-L104 PolarHBondContact N-O 3.28Å; R87-L104 PolarHBondContact O-N 3.12Å |
| 88 | V | 92.5 | Very high | 88.2 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.3 | 178.5 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | I80 G81 A101 I102 K103 M150 | I80-V88 HydrophobicContact CD1-CG1 3.94Å; I80-V88 HydrophobicContact CG1-CB 4.15Å; I80-V88 HydrophobicContact CG1-CG1 3.78Å; I80-V88 PolarHBondContact N-O 3.04Å; G81-V88 PolarHBondContact N-O 3.34Å; G81-V88 PolarHBondContact O-N 3.19Å; V88-A101 HydrophobicContact CG1-CB 4.14Å; V88-I102 CarbonylContact C-O 3.6Å; V88-I102 VanDerWaalsContact CA-O 3.31Å; V88-I102 WeakPolarHBondContact CA-O 3.24Å; V88-K103 HydrophobicContact CG2-CG 4.24Å; V88-M150 HydrophobicContact CG1-CE 4.33Å |
| 89 | E | 94.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.6 | -177.2 | -75.5 | -176.9 | 174.8 | 0 | 0 | 111.1 | Y71 L76 V79 R87 A91 I102 L104 | Y71-E89 VanDerWaalsContact CE2-OE2 3.25Å; Y71-E89 WeakPolarHBondContact CE2-OE2 3.48Å; Y71-E89 PolarHBondContact OH-OE1 2.89Å; Y71-E89 PolarHBondContact OH-OE2 2.76Å; L76-E89 HydrophobicContact CD1-CB 3.65Å; L76-E89 HydrophobicContact CD1-CG 3.68Å; V79-E89 HydrophobicContact CG2-CG 4.47Å; R87-E89 IonicContact CZ-OE1 3.63Å; R87-E89 IonicContact NE-OE1 3.45Å; R87-E89 PolarHBondContact NE-OE1 3.01Å; R87-E89 IonicContact NH2-OE1 3.51Å; R87-E89 PolarHBondContact NH2-OE1 3.08Å; E89-A91 PolarHBondContact O-N 2.93Å; E89-I102 PolarHBondContact N-O 2.75Å; E89-I102 PolarHBondContact O-N 2.91Å; E89-L104 HydrophobicContact CB-CD1 3.96Å; E89-L104 HydrophobicContact CG-CD1 3.75Å |
| 90 | L | 95.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 117.9 | 164.8 | -175.9 | 68.6 | 0 | 0 | 0 | 108.4 | I77 K78 I80 V99 Y152 T378 T380 | I77-L90 WeakPolarHBondContact CA-O 3.49Å; I77-L90 HydrophobicContact CB-CB 4.49Å; I77-L90 HydrophobicContact CB-CD2 4.21Å; I77-L90 HydrophobicContact CB-CG 4.22Å; I77-L90 WeakPolarHBondContact CB-O 3.48Å; I77-L90 HydrophobicContact CD1-CD2 4.23Å; I77-L90 HydrophobicContact CD1-CG 3.92Å; I77-L90 HydrophobicContact CG2-CD2 4.01Å; I77-L90 PolarHBondContact N-O 2.87Å; K78-L90 HydrophobicContact CB-CB 4.38Å; K78-L90 PolarHBondContact N-O 3.05Å; K78-L90 PolarHBondContact O-N 3.22Å; I80-L90 HydrophobicContact CD1-CB 4.25Å; I80-L90 HydrophobicContact CG1-CB 4.49Å; I80-L90 HydrophobicContact CG2-CB 3.81Å; L90-V99 HydrophobicContact CD1-CG1 3.37Å; L90-V99 HydrophobicContact CG-CG1 4.11Å; L90-Y152 HydrophobicContact CD1-CD1 3.73Å; L90-Y152 HydrophobicContact CD1-CD2 3.49Å; L90-Y152 VanDerWaalsContact CD1-CD2 3.49Å; L90-Y152 HydrophobicContact CD1-CE1 3.86Å; L90-Y152 HydrophobicContact CD1-CE2 3.64Å; L90-Y152 HydrophobicContact CD1-CG 3.55Å; L90-T378 HydrophobicContact CD2-CG2 4.46Å; L90-T380 HydrophobicContact CD2-CG2 3.69Å |
| 91 | A | 96.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F74 E75 E89 Y100 I102 | F74-A91 HydrophobicContact CB-CB 4.1Å; E75-A91 CarbonylContact O-C 3.59Å; E75-A91 WeakPolarHBondContact O-CA 3.08Å; E89-A91 PolarHBondContact O-N 2.93Å; A91-Y100 PolarHBondContact N-O 3.19Å; A91-Y100 PolarHBondContact O-N 3.36Å; A91-I102 HydrophobicContact CB-CD1 3.71Å; A91-I102 HydrophobicContact CB-CG1 4.2Å |
| 92 | R | 96.4 | Very high | 89.2 | Confident | 34 Ų | 34 | 51.4 Ų | 51.4 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.8 | 178.8 | -161.9 | 176.3 | -79.9 | -95.6 | 8.8 | 110.1 | F74 E75 I77 K94 R97 R98 V99 E377 T378 | F74-R92 WeakPolarHBondContact CA-O 3.24Å; E75-R92 HydrophobicContact CB-CB 4.41Å; E75-R92 WeakPolarHBondContact CB-O 3.14Å; E75-R92 PolarHBondContact N-O 3.12Å; E75-R92 PolarHBondContact O-N 2.85Å; I77-R92 HydrophobicContact CD1-CB 3.9Å; I77-R92 HydrophobicContact CG1-CB 4.41Å; R92-K94 PolarHBondContact O-N 2.82Å; R92-R97 VanDerWaalsContact CD-CZ 3.46Å; R92-R97 WeakPolarHBondContact CD-O 2.81Å; R92-R97 WeakPolarHBondContact CG-O 3.25Å; R92-R97 PolarHBondContact NH1-O 3.31Å; R92-R98 CarbonylContact C-O 3.55Å; R92-R98 WeakPolarHBondContact CA-O 3.4Å; R92-V99 HydrophobicContact CG-CG2 4.29Å; R92-V99 VanDerWaalsContact CZ-CG2 3.45Å; R92-E377 IonicContact CZ-OE2 2.7Å; R92-E377 VanDerWaalsContact CZ-OE2 3.29Å; R92-E377 IonicContact NH1-OE2 3.57Å; R92-E377 PolarHBondContact NH1-OE2 3.4Å; R92-E377 IonicContact NH2-OE2 2.72Å; R92-E377 PolarHBondContact NH2-OE2 3.01Å; R92-T378 VanDerWaalsContact NH2-CG2 3.27Å |
| 93 | H | 94.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 116.8 | 177.1 | 174.4 | -114.4 | 0 | 0 | 0 | 110.1 | D73 F74 R95 T96 R97 R98 Y100 | D73-H93 PolarHBondContact O-CD2 3Å; F74-H93 HydrophobicContact CD1-CB 3.73Å; F74-H93 HydrophobicContact CE1-CB 3.7Å; H93-R95 VanDerWaalsContact C-N 3.29Å; H93-R95 PolarHBondContact O-N 3.05Å; H93-R95 VanDerWaalsContact O-N 3.12Å; H93-T96 PolarHBondContact ND1-N 3.16Å; H93-T96 PolarHBondContact ND1-OG1 3.01Å; H93-T96 PolarHBondContact O-N 3.37Å; H93-R97 WeakPolarHBondContact O-CA 3.37Å; H93-R97 PolarHBondContact O-N 3.49Å; H93-R98 PolarHBondContact N-O 3.39Å; H93-Y100 HydrophobicContact CB-CD2 4.17Å; H93-Y100 HydrophobicContact CB-CE2 3.9Å |
| 94 | K | 94.4 | Very high | 90.8 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -39.8 | -163.5 | -72.6 | 166.7 | 179.6 | 150.5 | 0 | 113.3 | T72 D73 F74 E75 R92 R97 | T72-K94 PolarHBondContact O-NZ 3.47Å; D73-K94 VanDerWaalsContact O-CB 3.31Å; D73-K94 WeakPolarHBondContact O-CB 3.47Å; D73-K94 WeakPolarHBondContact O-CG 3.26Å; D73-K94 PolarHBondContact O-N 3.45Å; F74-K94 VanDerWaalsContact C-CE 3.45Å; F74-K94 WeakPolarHBondContact O-CE 3.44Å; F74-K94 PolarHBondContact O-NZ 3.11Å; E75-K94 HydrophobicContact CB-CG 4Å; R92-K94 PolarHBondContact O-N 2.82Å; K94-R97 WeakPolarHBondContact O-CD 3.18Å |
| 95 | R | 90.8 | Very high | 91.9 | Very high | 194 Ų | 194 | 44.3 Ų | 44.3 | 73% | 0.732 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -33.8 | -175.2 | 179.9 | -179.1 | 58.7 | 75.2 | -1.2 | 114.4 | H93 | H93-R95 VanDerWaalsContact C-N 3.29Å; H93-R95 PolarHBondContact O-N 3.05Å; H93-R95 VanDerWaalsContact O-N 3.12Å |
| 96 | T | 90.7 | Very high | 92.8 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -8.3 | -180 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | H93 R98 | H93-T96 PolarHBondContact ND1-N 3.16Å; H93-T96 PolarHBondContact ND1-OG1 3.01Å; H93-T96 PolarHBondContact O-N 3.37Å; T96-R98 PolarHBondContact O-N 2.85Å |
| 97 | R | 93.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 41.4 Ų | 41.4 | 46% | 0.46 | 18% | 0.177 | S | C | . | . | trans | 55.2 | 4.2 | -170.2 | -55.7 | -59.4 | -66.4 | 161.6 | -0.2 | 115.2 | E75 R92 H93 K94 | E75-R97 IonicContact OE2-CZ 2.69Å; E75-R97 IonicContact OE2-NH1 3.88Å; E75-R97 PolarHBondContact OE2-NH1 2.85Å; E75-R97 IonicContact OE2-NH2 2.71Å; E75-R97 PolarHBondContact OE2-NH2 3.27Å; R92-R97 VanDerWaalsContact CD-CZ 3.46Å; R92-R97 WeakPolarHBondContact CD-O 2.81Å; R92-R97 WeakPolarHBondContact CG-O 3.25Å; R92-R97 PolarHBondContact NH1-O 3.31Å; H93-R97 WeakPolarHBondContact O-CA 3.37Å; H93-R97 PolarHBondContact O-N 3.49Å; K94-R97 WeakPolarHBondContact O-CD 3.18Å | ||
| 98 | R | 92.9 | Very high | 92.9 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 47% | 0.468 | 17% | 0.173 | S | C | . | . | trans | -65.6 | 146 | 174.3 | -71.1 | -176.1 | 174.8 | 171 | -4.4 | 111.4 | R92 H93 T96 Y100 Y435 | R92-R98 CarbonylContact C-O 3.55Å; R92-R98 WeakPolarHBondContact CA-O 3.4Å; H93-R98 PolarHBondContact N-O 3.39Å; T96-R98 PolarHBondContact O-N 2.85Å; R98-Y100 HydrophobicContact CB-CD2 4.48Å; R98-Y100 HydrophobicContact CB-CE2 3.64Å; R98-Y100 VanDerWaalsContact CD-OH 3.3Å; R98-Y100 WeakPolarHBondContact CD-OH 3.46Å; R98-Y435 VanDerWaalsContact NH1-CZ 3.33Å; R98-Y435 PolarHBondContact NH1-OH 2.91Å | ||
| 99 | V | 94.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 144.4 | 177.3 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | I77 L90 R92 Y152 E377 T378 | I77-V99 HydrophobicContact CD1-CG1 4.32Å; L90-V99 HydrophobicContact CD1-CG1 3.37Å; L90-V99 HydrophobicContact CG-CG1 4.11Å; R92-V99 HydrophobicContact CG-CG2 4.29Å; R92-V99 VanDerWaalsContact CZ-CG2 3.45Å; V99-Y152 HydrophobicContact CG1-CD1 4.25Å; V99-Y152 HydrophobicContact CG1-CG 4.45Å; V99-E377 HydrophobicContact CG2-CB 3.86Å; V99-T378 HydrophobicContact CB-CG2 4.44Å; V99-T378 HydrophobicContact CG1-CG2 3.99Å; V99-T378 HydrophobicContact CG2-CG2 3.54Å |
| 100 | Y | 95.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.8 | -178.6 | -63.3 | -72.2 | 0 | 0 | 0 | 110.6 | F74 A91 H93 R98 H137 Y138 C149 M150 | F74-Y100 AromaticContact CE1-CD2 4Å; F74-Y100 HydrophobicContact CE1-CD2 4Å; A91-Y100 PolarHBondContact N-O 3.19Å; A91-Y100 PolarHBondContact O-N 3.36Å; H93-Y100 HydrophobicContact CB-CD2 4.17Å; H93-Y100 HydrophobicContact CB-CE2 3.9Å; R98-Y100 HydrophobicContact CB-CD2 4.48Å; R98-Y100 HydrophobicContact CB-CE2 3.64Å; R98-Y100 VanDerWaalsContact CD-OH 3.3Å; R98-Y100 WeakPolarHBondContact CD-OH 3.46Å; Y100-H137 HydrophobicContact CD1-CB 4.44Å; Y100-H137 AromaticContact CD1-CD2 3.8Å; Y100-H137 HydrophobicContact CE1-CB 3.95Å; Y100-H137 AromaticContact CE1-CD2 3.5Å; Y100-H137 VanDerWaalsContact CE1-CD2 3.5Å; Y100-H137 WeakPolarHBondContact CE1-CD2 3.36Å; Y100-H137 AromaticContact CE1-CG 3.66Å; Y100-Y138 HydrophobicContact CE2-CE2 4.14Å; Y100-Y138 AromaticContact CZ-CE2 3.99Å; Y100-C149 WeakPolarHBondContact CB-SG 3.48Å; Y100-M150 WeakPolarHBondContact CA-O 3.25Å; Y100-M150 WeakPolarHBondContact CB-O 3.26Å; Y100-M150 WeakPolarHBondContact CD1-O 3.5Å |
| 101 | A | 95.8 | Very high | 91.3 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I80 V88 M150 Y152 | I80-A101 HydrophobicContact CD1-CB 4.08Å; V88-A101 HydrophobicContact CG1-CB 4.14Å; A101-M150 HydrophobicContact CB-CE 4.06Å; A101-M150 PolarHBondContact N-O 2.87Å; A101-M150 VanDerWaalsContact N-O 3.08Å; A101-M150 PolarHBondContact O-N 3.39Å; A101-Y152 HydrophobicContact CB-CD2 4.38Å |
| 102 | I | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.1 | 179.8 | -54.3 | -175.8 | 0 | 0 | 0 | 108.9 | F74 V88 E89 A91 L104 Y147 L148 C149 | F74-I102 HydrophobicContact CB-CD1 4.13Å; F74-I102 HydrophobicContact CD1-CD1 3.63Å; F74-I102 HydrophobicContact CD2-CD1 4.01Å; F74-I102 HydrophobicContact CE1-CD1 3.95Å; F74-I102 HydrophobicContact CE2-CD1 4.31Å; F74-I102 HydrophobicContact CG-CD1 3.66Å; F74-I102 HydrophobicContact CZ-CD1 4.29Å; V88-I102 CarbonylContact C-O 3.6Å; V88-I102 VanDerWaalsContact CA-O 3.31Å; V88-I102 WeakPolarHBondContact CA-O 3.24Å; E89-I102 PolarHBondContact N-O 2.75Å; E89-I102 PolarHBondContact O-N 2.91Å; A91-I102 HydrophobicContact CB-CD1 3.71Å; A91-I102 HydrophobicContact CB-CG1 4.2Å; I102-L104 HydrophobicContact CB-CD1 4.32Å; I102-L104 HydrophobicContact CG2-CD1 3.94Å; I102-L104 HydrophobicContact CG2-CG 4.32Å; I102-L104 WeakPolarHBondContact O-CD1 3.35Å; I102-Y147 HydrophobicContact CG2-CD1 3.96Å; I102-L148 CarbonylContact C-O 3.53Å; I102-L148 WeakPolarHBondContact CA-O 2.96Å; I102-C149 HydrophobicContact CG1-CB 4.29Å |
| 103 | K | 93.7 | Very high | 89.3 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 10% | 0.1 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.1 | 167.9 | -163.2 | -178.7 | -162.6 | -177.9 | 0 | 108.5 | R87 V88 M105 E121 Y147 L148 M150 D214 | R87-K103 WeakPolarHBondContact O-CA 3.44Å; V88-K103 HydrophobicContact CG2-CG 4.24Å; K103-M105 HydrophobicContact CD-CE 4.43Å; K103-M105 HydrophobicContact CD-SD 4.09Å; K103-M105 HydrophobicContact CG-CG 4.21Å; K103-M105 HydrophobicContact CG-SD 4.41Å; K103-E121 WeakPolarHBondContact CD-OE1 3.47Å; K103-E121 WeakPolarHBondContact CE-OE1 3.31Å; K103-E121 IonicContact NZ-OE1 2.64Å; K103-E121 PolarHBondContact NZ-OE1 2.89Å; K103-E121 IonicContact NZ-OE2 2.61Å; K103-E121 PolarHBondContact NZ-OE2 3.43Å; K103-Y147 WeakPolarHBondContact O-CA 3.45Å; K103-L148 HydrophobicContact CB-CB 4.3Å; K103-L148 PolarHBondContact N-O 3.45Å; K103-L148 PolarHBondContact O-N 3.23Å; K103-M150 HydrophobicContact CB-CE 3.94Å; K103-D214 IonicContact NZ-OD1 2.68Å; K103-D214 PolarHBondContact NZ-OD1 3.19Å |
| 104 | L | 93.5 | Very high | 87.6 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.3 | 177 | -62.6 | 82.3 | 0 | 0 | 0 | 108.8 | Y71 G86 R87 E89 I102 Y147 | Y71-L104 HydrophobicContact CD2-CD2 4.35Å; Y71-L104 HydrophobicContact CE2-CD2 3.87Å; G86-L104 CarbonylContact C-O 3.57Å; G86-L104 WeakPolarHBondContact CA-O 3.5Å; R87-L104 HydrophobicContact CG-CB 4.47Å; R87-L104 HydrophobicContact CG-CD1 4.36Å; R87-L104 PolarHBondContact N-O 3.28Å; R87-L104 PolarHBondContact O-N 3.12Å; E89-L104 HydrophobicContact CB-CD1 3.96Å; E89-L104 HydrophobicContact CG-CD1 3.75Å; I102-L104 HydrophobicContact CB-CD1 4.32Å; I102-L104 HydrophobicContact CG2-CD1 3.94Å; I102-L104 HydrophobicContact CG2-CG 4.32Å; I102-L104 WeakPolarHBondContact O-CD1 3.35Å; L104-Y147 HydrophobicContact CB-CD1 4.46Å; L104-Y147 HydrophobicContact CB-CE1 4.38Å; L104-Y147 HydrophobicContact CD2-CD1 4.23Å; L104-Y147 HydrophobicContact CD2-CE1 3.57Å; L104-Y147 HydrophobicContact CG-CD1 3.76Å; L104-Y147 HydrophobicContact CG-CE1 3.62Å |
| 105 | M | 90.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.9 | 180 | -59.5 | -175.7 | -72.9 | 0 | 0 | 111.2 | F85 K103 L110 N145 V146 L148 | F85-M105 HydrophobicContact CB-CG 4.41Å; F85-M105 HydrophobicContact CB-SD 4.22Å; F85-M105 WeakPolarHBondContact O-CA 3.43Å; K103-M105 HydrophobicContact CD-CE 4.43Å; K103-M105 HydrophobicContact CD-SD 4.09Å; K103-M105 HydrophobicContact CG-CG 4.21Å; K103-M105 HydrophobicContact CG-SD 4.41Å; M105-L110 HydrophobicContact CB-CD1 3.98Å; M105-L110 HydrophobicContact CB-CG 4.43Å; M105-N145 CarbonylContact O-C 3.25Å; M105-N145 VanDerWaalsContact O-CA 3.25Å; M105-N145 WeakPolarHBondContact O-CA 3.3Å; M105-N145 WeakPolarHBondContact O-CB 3.29Å; M105-V146 HydrophobicContact CB-CG2 3.96Å; M105-V146 HydrophobicContact CE-CG2 4.19Å; M105-V146 PolarHBondContact N-O 2.97Å; M105-V146 PolarHBondContact O-N 3.43Å; M105-L148 HydrophobicContact CE-CD1 4.02Å; M105-L148 HydrophobicContact CE-CG 4.47Å |
| 106 | S | 88.1 | Confident | 84.6 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.2 | -176.6 | -179 | 0 | 0 | 0 | 0 | 111.6 | Q108 H109 L110 | S106-Q108 VanDerWaalsContact C-N 3.31Å; S106-Q108 PolarHBondContact O-N 2.91Å; S106-H109 PolarHBondContact O-N 2.72Å; S106-H109 VanDerWaalsContact O-N 3.16Å; S106-L110 WeakPolarHBondContact O-CG 3.29Å; S106-L110 PolarHBondContact O-N 3.21Å |
| 107 | K | 88.8 | Confident | 83.9 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.1 | -45.2 | 178.2 | -80.1 | 178.4 | 161.5 | 178.7 | 0 | 112.3 | H109 L110 L111 D142 D144 V146 N424 F427 | K107-H109 PolarHBondContact O-N 2.69Å; K107-L110 PolarHBondContact O-N 3.41Å; K107-L111 WeakPolarHBondContact O-CG 3.45Å; K107-L111 PolarHBondContact O-N 3.18Å; K107-D142 WeakPolarHBondContact CE-O 3.28Å; K107-D142 PolarHBondContact NZ-O 3.44Å; K107-D144 PolarHBondContact N-O 3.49Å; K107-V146 HydrophobicContact CG-CG1 4.01Å; K107-N424 PolarHBondContact NZ-OD1 3.33Å; K107-F427 HydrophobicContact CB-CD2 4.33Å; K107-F427 HydrophobicContact CB-CE2 3.65Å; K107-F427 HydrophobicContact CB-CZ 3.83Å; K107-F427 HydrophobicContact CD-CD2 3.94Å; K107-F427 HydrophobicContact CD-CE2 4.11Å; K107-F427 HydrophobicContact CD-CG 4.49Å; K107-F427 HydrophobicContact CG-CD1 4.44Å; K107-F427 HydrophobicContact CG-CD2 3.83Å; K107-F427 HydrophobicContact CG-CE1 4.26Å; K107-F427 HydrophobicContact CG-CE2 3.63Å; K107-F427 HydrophobicContact CG-CG 4.24Å; K107-F427 HydrophobicContact CG-CZ 3.86Å; K107-F427 WeakPolarHBondContact O-CZ 3.35Å |
| 108 | Q | 83.2 | Confident | 83.5 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.5 | -41.3 | -179.3 | -172.5 | 63.8 | 56.2 | 0 | 0 | 111.2 | S106 L110 L111 D112 P411 | S106-Q108 VanDerWaalsContact C-N 3.31Å; S106-Q108 PolarHBondContact O-N 2.91Å; Q108-L110 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 2.92Å; Q108-L111 PolarHBondContact O-N 2.94Å; Q108-D112 PolarHBondContact NE2-OD1 2.86Å; Q108-D112 WeakPolarHBondContact O-CB 3.18Å; Q108-D112 PolarHBondContact O-N 3Å; Q108-P411 HydrophobicContact CB-CG 3.67Å; Q108-P411 HydrophobicContact CG-CB 4.31Å; Q108-P411 HydrophobicContact CG-CG 3.54Å |
| 109 | H | 81.2 | Confident | 83.3 | Confident | 38 Ų | 38 | 38.3 Ų | 38.3 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | 178.5 | -163.8 | 120.2 | 0 | 0 | 0 | 112 | G84 F85 S106 K107 D112 H113 | G84-H109 PolarHBondContact O-CE1 2.92Å; G84-H109 PolarHBondContact O-NE2 3.45Å; F85-H109 AromaticContact CD1-CD2 3.85Å; F85-H109 AromaticContact CD1-NE2 3.96Å; S106-H109 PolarHBondContact O-N 2.72Å; S106-H109 VanDerWaalsContact O-N 3.16Å; K107-H109 PolarHBondContact O-N 2.69Å; H109-D112 PolarHBondContact O-N 3.31Å; H109-H113 AromaticContact CD2-CE1 3.76Å; H109-H113 AromaticContact CD2-ND1 3.25Å; H109-H113 PolarHBondContact CD2-ND1 3.3Å; H109-H113 VanDerWaalsContact CD2-ND1 3.25Å; H109-H113 AromaticContact CE1-CE1 3.94Å; H109-H113 AromaticContact CG-ND1 3.98Å; H109-H113 AromaticContact NE2-CE1 3.49Å; H109-H113 PolarHBondContact NE2-CE1 2.94Å; H109-H113 AromaticContact NE2-ND1 3.42Å; H109-H113 PolarHBondContact NE2-ND1 3.22Å; H109-H113 WeakPolarHBondContact O-CB 3.32Å; H109-H113 PolarHBondContact O-N 3Å; H109-H113 PolarHBondContact O-ND1 2.93Å |
| 110 | L | 85.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.5 | -33.8 | 175.6 | -64.4 | 175.4 | 0 | 0 | 0 | 112.9 | F85 M105 S106 K107 Q108 H113 S114 S116 Y118 V146 F427 | F85-L110 HydrophobicContact CB-CD2 4.23Å; F85-L110 HydrophobicContact CD1-CD2 4.38Å; F85-L110 HydrophobicContact CG-CD2 4.4Å; M105-L110 HydrophobicContact CB-CD1 3.98Å; M105-L110 HydrophobicContact CB-CG 4.43Å; S106-L110 WeakPolarHBondContact O-CG 3.29Å; S106-L110 PolarHBondContact O-N 3.21Å; K107-L110 PolarHBondContact O-N 3.41Å; Q108-L110 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 2.92Å; L110-H113 CarbonylContact O-C 3.56Å; L110-S114 PolarHBondContact O-N 3.5Å; L110-S116 WeakPolarHBondContact CD2-OG 3.48Å; L110-Y118 HydrophobicContact CB-CD1 4.09Å; L110-Y118 HydrophobicContact CB-CE1 4.05Å; L110-Y118 HydrophobicContact CD1-CD1 4.19Å; L110-Y118 HydrophobicContact CD1-CD2 4.1Å; L110-Y118 HydrophobicContact CD1-CG 3.9Å; L110-Y118 HydrophobicContact CD2-CD1 3.85Å; L110-Y118 HydrophobicContact CD2-CG 4.08Å; L110-Y118 HydrophobicContact CG-CD1 4.26Å; L110-Y118 HydrophobicContact CG-CG 4.43Å; L110-V146 HydrophobicContact CD1-CG2 3.62Å; L110-F427 HydrophobicContact CB-CE1 4.21Å; L110-F427 HydrophobicContact CB-CZ 4.21Å; L110-F427 HydrophobicContact CD1-CE1 4Å |
| 111 | L | 83.2 | Confident | 82.9 | Confident | 57 Ų | 57 | 40 Ų | 40 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 172.5 | -70.3 | 176.1 | 0 | 0 | 0 | 112.1 | K107 Q108 H113 F427 | K107-L111 WeakPolarHBondContact O-CG 3.45Å; K107-L111 PolarHBondContact O-N 3.18Å; Q108-L111 PolarHBondContact O-N 2.94Å; L111-H113 VanDerWaalsContact C-N 3.27Å; L111-H113 PolarHBondContact O-N 2.89Å; L111-F427 HydrophobicContact CD1-CE2 4.04Å; L111-F427 HydrophobicContact CD2-CE2 4.05Å; L111-F427 HydrophobicContact CD2-CZ 4.12Å; L111-F427 HydrophobicContact CG-CE2 3.87Å; L111-F427 HydrophobicContact CG-CZ 3.9Å |
| 112 | D | 77.7 | Confident | 82.6 | Confident | 99 Ų | 99 | 40.1 Ų | 40.1 | 53% | 0.529 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.2 | -28.2 | 178.7 | -64.7 | -20.2 | 0 | 0 | 0 | 111.8 | Q108 H109 | Q108-D112 PolarHBondContact NE2-OD1 2.86Å; Q108-D112 WeakPolarHBondContact O-CB 3.18Å; Q108-D112 PolarHBondContact O-N 3Å; H109-D112 PolarHBondContact O-N 3.31Å |
| 113 | H | 72.3 | Confident | 82.4 | Confident | 94 Ų | 94 | 41.8 Ų | 41.8 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 59.4 | 178.6 | -57.7 | 82.5 | 0 | 0 | 0 | 111.1 | F85 H109 L110 L111 Q115 S116 | F85-H113 HydrophobicContact CE1-CB 4.35Å; H109-H113 AromaticContact CD2-CE1 3.76Å; H109-H113 AromaticContact CD2-ND1 3.25Å; H109-H113 PolarHBondContact CD2-ND1 3.3Å; H109-H113 VanDerWaalsContact CD2-ND1 3.25Å; H109-H113 AromaticContact CE1-CE1 3.94Å; H109-H113 AromaticContact CG-ND1 3.98Å; H109-H113 AromaticContact NE2-CE1 3.49Å; H109-H113 PolarHBondContact NE2-CE1 2.94Å; H109-H113 AromaticContact NE2-ND1 3.42Å; H109-H113 PolarHBondContact NE2-ND1 3.22Å; H109-H113 WeakPolarHBondContact O-CB 3.32Å; H109-H113 PolarHBondContact O-N 3Å; H109-H113 PolarHBondContact O-ND1 2.93Å; L110-H113 CarbonylContact O-C 3.56Å; L111-H113 VanDerWaalsContact C-N 3.27Å; L111-H113 PolarHBondContact O-N 2.89Å; H113-Q115 PolarHBondContact O-N 3.48Å; H113-S116 WeakPolarHBondContact O-CB 3.44Å; H113-S116 PolarHBondContact O-N 2.89Å; H113-S116 PolarHBondContact O-OG 3.09Å |
| 114 | S | 59.6 | Low | 82.3 | Confident | 102 Ų | 102 | 40.7 Ų | 40.7 | 71% | 0.713 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 2.2 | -174.4 | 69.2 | 0 | 0 | 0 | 0 | 116.9 | L110 | L110-S114 PolarHBondContact O-N 3.5Š|
| 115 | Q | 57.8 | Low | 82.2 | Confident | 138 Ų | 138 | 40.3 Ų | 40.3 | 65% | 0.645 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 0.1 | 169.4 | -68.1 | -170.5 | -38.6 | 0 | 0 | 113.5 | H113 G117 | H113-Q115 PolarHBondContact O-N 3.48Å; Q115-G117 PolarHBondContact O-N 3.45Å |
| 116 | S | 63.6 | Low | 82 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -69.2 | 126.1 | 171.2 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | L110 H113 Y118 | L110-S116 WeakPolarHBondContact CD2-OG 3.48Å; H113-S116 WeakPolarHBondContact O-CB 3.44Å; H113-S116 PolarHBondContact O-N 2.89Å; H113-S116 PolarHBondContact O-OG 3.09Å; S116-Y118 WeakPolarHBondContact O-CD1 3.47Å; S116-Y118 PolarHBondContact O-N 2.91Å; S116-Y118 WeakPolarHBondContact OG-CD1 3.48Å |
| 117 | G | 77.2 | Confident | 81.7 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | trans | -77.5 | 44.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q115 W119 E120 E121 G216 | Q115-G117 PolarHBondContact O-N 3.45Å; G117-W119 VanDerWaalsContact C-N 3.28Å; G117-W119 PolarHBondContact O-N 3.37Å; G117-E120 VanDerWaalsContact CA-OE2 3.28Å; G117-E120 WeakPolarHBondContact CA-OE2 3.46Å; G117-E120 PolarHBondContact O-N 3.02Å; G117-E121 WeakPolarHBondContact O-CB 3.25Å; G117-E121 PolarHBondContact O-N 3Å; G117-G216 WeakPolarHBondContact CA-O 3.43Å; G117-G216 PolarHBondContact N-O 3.02Å | ||
| 118 | Y | 84.3 | Confident | 81.1 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.3 | -21.9 | -175.3 | 68.6 | -88.9 | 0 | 0 | 0 | 113.3 | L110 S116 R122 F427 F430 | L110-Y118 HydrophobicContact CB-CD1 4.09Å; L110-Y118 HydrophobicContact CB-CE1 4.05Å; L110-Y118 HydrophobicContact CD1-CD1 4.19Å; L110-Y118 HydrophobicContact CD1-CD2 4.1Å; L110-Y118 HydrophobicContact CD1-CG 3.9Å; L110-Y118 HydrophobicContact CD2-CD1 3.85Å; L110-Y118 HydrophobicContact CD2-CG 4.08Å; L110-Y118 HydrophobicContact CG-CD1 4.26Å; L110-Y118 HydrophobicContact CG-CG 4.43Å; S116-Y118 WeakPolarHBondContact O-CD1 3.47Å; S116-Y118 PolarHBondContact O-N 2.91Å; S116-Y118 WeakPolarHBondContact OG-CD1 3.48Å; Y118-R122 WeakPolarHBondContact O-CB 3.45Å; Y118-R122 PolarHBondContact O-N 2.94Å; Y118-F427 HydrophobicContact CD2-CE1 4.45Å; Y118-F427 AromaticContact CE2-CD1 3.94Å; Y118-F427 HydrophobicContact CE2-CD1 3.94Å; Y118-F427 AromaticContact CE2-CE1 3.72Å; Y118-F427 HydrophobicContact CE2-CE1 3.72Å; Y118-F427 AromaticContact CZ-CE1 3.96Å; Y118-F430 HydrophobicContact CD2-CD2 4.46Å; Y118-F430 HydrophobicContact CD2-CE2 4.18Å |
| 119 | W | 87.7 | Confident | 80.5 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 30% | 0.295 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75.4 | -47 | 170.7 | -79.2 | 114.6 | 0 | 0 | 0 | 110.6 | G117 E121 R122 D123 S426 F430 | G117-W119 VanDerWaalsContact C-N 3.28Å; G117-W119 PolarHBondContact O-N 3.37Å; W119-E121 VanDerWaalsContact C-N 3.33Å; W119-E121 PolarHBondContact O-N 3Å; W119-R122 PolarHBondContact O-N 3Å; W119-D123 WeakPolarHBondContact O-CB 3.34Å; W119-D123 PolarHBondContact O-N 2.67Å; W119-S426 WeakPolarHBondContact CZ2-O 3.48Å; W119-F430 HydrophobicContact CE3-CD2 4.42Å; W119-F430 HydrophobicContact CH2-CB 4.02Å; W119-F430 HydrophobicContact CH2-CD2 4.46Å; W119-F430 HydrophobicContact CZ3-CB 4.15Å; W119-F430 HydrophobicContact CZ3-CD2 4.18Å |
| 120 | E | 90.2 | Very high | 80.6 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.6 | -66.3 | 82.4 | 173.6 | 0 | 0 | 111.4 | G117 D123 V124 F192 C218 | G117-E120 VanDerWaalsContact CA-OE2 3.28Å; G117-E120 WeakPolarHBondContact CA-OE2 3.46Å; G117-E120 PolarHBondContact O-N 3.02Å; E120-D123 PolarHBondContact O-N 3.21Å; E120-V124 WeakPolarHBondContact O-CB 3.46Å; E120-V124 VanDerWaalsContact O-CG2 3.31Å; E120-V124 WeakPolarHBondContact O-CG2 3.32Å; E120-V124 PolarHBondContact O-N 2.98Å; E120-F192 HydrophobicContact CB-CD1 4.34Å; E120-F192 HydrophobicContact CB-CE1 4.02Å; E120-F192 HydrophobicContact CG-CD1 4.38Å; E120-F192 HydrophobicContact CG-CE1 3.96Å; E120-C218 HydrophobicContact CB-CB 4.09Å |
| 121 | E | 91.3 | Very high | 80.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 174.4 | -174.2 | -179.6 | 179.3 | 0 | 0 | 111.8 | K103 G117 W119 D123 M125 L148 F215 | K103-E121 WeakPolarHBondContact CD-OE1 3.47Å; K103-E121 WeakPolarHBondContact CE-OE1 3.31Å; K103-E121 IonicContact NZ-OE1 2.64Å; K103-E121 PolarHBondContact NZ-OE1 2.89Å; K103-E121 IonicContact NZ-OE2 2.61Å; K103-E121 PolarHBondContact NZ-OE2 3.43Å; G117-E121 WeakPolarHBondContact O-CB 3.25Å; G117-E121 PolarHBondContact O-N 3Å; W119-E121 VanDerWaalsContact C-N 3.33Å; W119-E121 PolarHBondContact O-N 3Å; E121-D123 VanDerWaalsContact C-N 3.3Å; E121-D123 PolarHBondContact O-N 3.04Å; E121-M125 HydrophobicContact CG-CE 3.69Å; E121-M125 HydrophobicContact CG-SD 4.24Å; E121-M125 VanDerWaalsContact O-CG 3.29Å; E121-M125 WeakPolarHBondContact O-CG 3.29Å; E121-M125 PolarHBondContact O-N 3.41Å; E121-M125 VanDerWaalsContact O-N 3.1Å; E121-M125 VanDerWaalsContact OE1-CE 3.25Å; E121-M125 WeakPolarHBondContact OE1-CE 3.5Å; E121-L148 HydrophobicContact CG-CD1 3.86Å; E121-F215 HydrophobicContact CB-CB 4.3Å; E121-F215 HydrophobicContact CG-CB 4.1Å |
| 122 | R | 90.9 | Very high | 81.4 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 4% | 0.038 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -47 | 176.2 | 176 | -86.4 | -171.3 | -164.9 | -1.2 | 110.3 | Y118 W119 M125 V126 A139 L148 G429 F430 | Y118-R122 WeakPolarHBondContact O-CB 3.45Å; Y118-R122 PolarHBondContact O-N 2.94Å; W119-R122 PolarHBondContact O-N 3Å; R122-M125 PolarHBondContact O-N 2.9Å; R122-V126 HydrophobicContact CG-CG2 4.46Å; R122-V126 WeakPolarHBondContact O-CB 3.1Å; R122-V126 WeakPolarHBondContact O-CG2 3.03Å; R122-V126 PolarHBondContact O-N 3.31Å; R122-A139 HydrophobicContact CG-CB 4.45Å; R122-L148 HydrophobicContact CB-CD2 4.15Å; R122-L148 HydrophobicContact CG-CD2 4.24Å; R122-G429 VanDerWaalsContact CZ-O 3.28Å; R122-G429 PolarHBondContact NE-O 3.47Å; R122-G429 PolarHBondContact NH2-O 2.99Å; R122-F430 HydrophobicContact CB-CD2 4.3Å; R122-F430 HydrophobicContact CB-CE2 3.8Å; R122-F430 HydrophobicContact CB-CZ 4.26Å; R122-F430 HydrophobicContact CG-CD2 4.08Å; R122-F430 HydrophobicContact CG-CE2 3.97Å; R122-F430 HydrophobicContact CG-CZ 4.31Å; R122-F430 PolarHBondContact NE-O 3.32Å |
| 123 | D | 90.2 | Very high | 82.3 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.9 | -43.8 | -174.9 | -99.4 | 32.2 | 0 | 0 | 0 | 112.8 | W119 E120 E121 M125 V126 K127 F192 | W119-D123 WeakPolarHBondContact O-CB 3.34Å; W119-D123 PolarHBondContact O-N 2.67Å; E120-D123 PolarHBondContact O-N 3.21Å; E121-D123 VanDerWaalsContact C-N 3.3Å; E121-D123 PolarHBondContact O-N 3.04Å; D123-M125 PolarHBondContact O-N 3.19Å; D123-V126 PolarHBondContact O-N 3.3Å; D123-K127 HydrophobicContact CB-CD 4.35Å; D123-K127 WeakPolarHBondContact O-CB 3.42Å; D123-K127 WeakPolarHBondContact O-CD 3.35Å; D123-K127 WeakPolarHBondContact O-CG 3.18Å; D123-K127 PolarHBondContact O-N 3.19Å; D123-K127 IonicContact OD2-NZ 2.72Å; D123-K127 PolarHBondContact OD2-NZ 3.3Å; D123-F192 HydrophobicContact CB-CZ 4.26Å |
| 124 | V | 91.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | E120 V126 K127 A128 L133 L187 F192 F215 | E120-V124 WeakPolarHBondContact O-CB 3.46Å; E120-V124 VanDerWaalsContact O-CG2 3.31Å; E120-V124 WeakPolarHBondContact O-CG2 3.32Å; E120-V124 PolarHBondContact O-N 2.98Å; V124-V126 VanDerWaalsContact C-N 3.29Å; V124-V126 PolarHBondContact O-N 3.27Å; V124-K127 PolarHBondContact O-N 3.06Å; V124-A128 VanDerWaalsContact O-CB 3.25Å; V124-A128 WeakPolarHBondContact O-CB 3.44Å; V124-A128 PolarHBondContact O-N 2.94Å; V124-L133 HydrophobicContact CG1-CD1 4.32Å; V124-L187 HydrophobicContact CB-CD1 4.44Å; V124-L187 HydrophobicContact CG1-CD1 3.61Å; V124-L187 HydrophobicContact CG2-CD1 3.88Å; V124-F192 HydrophobicContact CG2-CB 4.13Å; V124-F192 HydrophobicContact CG2-CD1 3.83Å; V124-F192 HydrophobicContact CG2-CD2 3.67Å; V124-F192 HydrophobicContact CG2-CE1 4.1Å; V124-F192 HydrophobicContact CG2-CE2 3.95Å; V124-F192 HydrophobicContact CG2-CG 3.6Å; V124-F192 HydrophobicContact CG2-CZ 4.16Å; V124-F215 HydrophobicContact CB-CB 4.24Å; V124-F215 HydrophobicContact CB-CD2 4.14Å; V124-F215 HydrophobicContact CB-CG 4.05Å; V124-F215 HydrophobicContact CG1-CB 4.33Å; V124-F215 HydrophobicContact CG1-CD1 3.74Å; V124-F215 HydrophobicContact CG1-CD2 3.63Å; V124-F215 HydrophobicContact CG1-CE1 3.86Å; V124-F215 HydrophobicContact CG1-CE2 3.76Å; V124-F215 HydrophobicContact CG1-CG 3.62Å; V124-F215 HydrophobicContact CG1-CZ 3.87Å |
| 125 | M | 91.2 | Very high | 85 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.3 | -20.6 | -179.9 | -62.2 | -176.8 | 179.7 | 0 | 0 | 114.5 | E121 R122 D123 C136 L148 M150 F215 R434 | E121-M125 HydrophobicContact CG-CE 3.69Å; E121-M125 HydrophobicContact CG-SD 4.24Å; E121-M125 VanDerWaalsContact O-CG 3.29Å; E121-M125 WeakPolarHBondContact O-CG 3.29Å; E121-M125 PolarHBondContact O-N 3.41Å; E121-M125 VanDerWaalsContact O-N 3.1Å; E121-M125 VanDerWaalsContact OE1-CE 3.25Å; E121-M125 WeakPolarHBondContact OE1-CE 3.5Å; R122-M125 PolarHBondContact O-N 2.9Å; D123-M125 PolarHBondContact O-N 3.19Å; M125-C136 HydrophobicContact CB-CB 3.52Å; M125-C136 PolarHBondContact O-N 3.29Å; M125-C136 HydrophobicContact SD-CB 4.44Å; M125-L148 HydrophobicContact SD-CD1 4.1Å; M125-M150 HydrophobicContact CE-CG 4.35Å; M125-M150 HydrophobicContact CE-SD 3.5Å; M125-M150 VanDerWaalsContact CE-SD 3.5Å; M125-M150 HydrophobicContact SD-CG 3.79Å; M125-M150 HydrophobicContact SD-SD 3.74Å; M125-F215 HydrophobicContact CE-CD2 3.79Å; M125-F215 HydrophobicContact CE-CE2 4.34Å; M125-F215 HydrophobicContact CG-CD2 3.64Å; M125-F215 HydrophobicContact CG-CE2 3.94Å; M125-R434 PolarHBondContact O-NH2 3.02Å |
| 126 | V | 86.9 | Confident | 86.6 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 7% | 0.073 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -80.1 | -46.1 | 171.4 | 166.8 | 0 | 0 | 0 | 0 | 110.5 | P19 R122 D123 V124 A128 F432 | P19-V126 HydrophobicContact CB-CG1 4.01Å; R122-V126 HydrophobicContact CG-CG2 4.46Å; R122-V126 WeakPolarHBondContact O-CB 3.1Å; R122-V126 WeakPolarHBondContact O-CG2 3.03Å; R122-V126 PolarHBondContact O-N 3.31Å; D123-V126 PolarHBondContact O-N 3.3Å; V124-V126 VanDerWaalsContact C-N 3.29Å; V124-V126 PolarHBondContact O-N 3.27Å; V126-A128 VanDerWaalsContact C-N 3.29Å; V126-A128 PolarHBondContact O-N 2.81Å; V126-F432 HydrophobicContact CG1-CD2 3.99Å; V126-F432 HydrophobicContact CG1-CE2 3.96Å; V126-F432 HydrophobicContact CG1-CG 4.33Å; V126-F432 HydrophobicContact CG1-CZ 4.25Å; V126-F432 HydrophobicContact CG2-CB 4.03Å; V126-F432 HydrophobicContact CG2-CD1 3.65Å; V126-F432 HydrophobicContact CG2-CD2 4.2Å; V126-F432 HydrophobicContact CG2-CE1 4.09Å; V126-F432 HydrophobicContact CG2-CG 3.69Å |
| 127 | K | 80.8 | Confident | 87.8 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 15% | 0.152 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.7 | -19.2 | 178.9 | -77.1 | 154.7 | -177.9 | 169.3 | 0 | 113.6 | N20 D123 V124 S129 L190 F192 | N20-K127 WeakPolarHBondContact OD1-CE 3.42Å; N20-K127 WeakPolarHBondContact OD1-CG 3.41Å; D123-K127 HydrophobicContact CB-CD 4.35Å; D123-K127 WeakPolarHBondContact O-CB 3.42Å; D123-K127 WeakPolarHBondContact O-CD 3.35Å; D123-K127 WeakPolarHBondContact O-CG 3.18Å; D123-K127 PolarHBondContact O-N 3.19Å; D123-K127 IonicContact OD2-NZ 2.72Å; D123-K127 PolarHBondContact OD2-NZ 3.3Å; V124-K127 PolarHBondContact O-N 3.06Å; K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 3.24Å; K127-L190 HydrophobicContact CB-CD1 3.93Å; K127-L190 HydrophobicContact CB-CD2 3.91Å; K127-F192 HydrophobicContact CD-CE2 4.5Å |
| 128 | A | 76.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | trans | -61.2 | 85.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V124 V126 L133 R434 | V124-A128 VanDerWaalsContact O-CB 3.25Å; V124-A128 WeakPolarHBondContact O-CB 3.44Å; V124-A128 PolarHBondContact O-N 2.94Å; V126-A128 VanDerWaalsContact C-N 3.29Å; V126-A128 PolarHBondContact O-N 2.81Å; A128-L133 HydrophobicContact CB-CB 3.91Å; A128-L133 HydrophobicContact CB-CD1 4.35Å; A128-R434 VanDerWaalsContact O-CZ 3.3Å; A128-R434 PolarHBondContact O-NH1 2.93Å; A128-R434 PolarHBondContact O-NH2 3.13Å | ||
| 129 | S | 71.4 | Confident | 88.9 | Confident | 113 Ų | 113 | 27.8 Ų | 27.8 | 79% | 0.79 | 14% | 0.143 | S | C | * | . | trans | -84 | -17.9 | 156.3 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | K127 | K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 3.24Å | ||
| 130 | S | 82.7 | Confident | 89.2 | Confident | 28 Ų | 28 | 24.3 Ų | 24.3 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -62.8 | 141.5 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | W132 A186 | S130-W132 PolarHBondContact O-N 3.01Å; S130-W132 WeakPolarHBondContact OG-CB 3.46Å; S130-W132 PolarHBondContact OG-N 3.23Å; S130-W132 VanDerWaalsContact OG-N 3.14Å; S130-A186 WeakPolarHBondContact OG-CB 3.37Å |
| 131 | E | 91.4 | Very high | 89.3 | Confident | 123 Ų | 123 | 24.1 Ų | 24.1 | 58% | 0.575 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.5 | 172 | -61.7 | -170 | 85.1 | 0 | 0 | 112.9 | K211 | E131-K211 WeakPolarHBondContact O-CE 3.41Å; E131-K211 WeakPolarHBondContact O-CG 3.33Å |
| 132 | W | 95.1 | Very high | 89.2 | Confident | 32 Ų | 32 | 27 Ų | 27 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.6 | -174 | -52 | 114.6 | 0 | 0 | 0 | 114.7 | S130 E179 L182 A183 K211 L212 R364 | S130-W132 PolarHBondContact O-N 3.01Å; S130-W132 WeakPolarHBondContact OG-CB 3.46Å; S130-W132 PolarHBondContact OG-N 3.23Å; S130-W132 VanDerWaalsContact OG-N 3.14Å; W132-E179 HydrophobicContact CE3-CB 4.24Å; W132-E179 HydrophobicContact CH2-CG 4.06Å; W132-E179 HydrophobicContact CZ3-CB 3.77Å; W132-E179 HydrophobicContact CZ3-CG 3.61Å; W132-E179 WeakPolarHBondContact CZ3-OE1 3.32Å; W132-L182 HydrophobicContact CD2-CB 3.92Å; W132-L182 HydrophobicContact CG-CB 4.01Å; W132-L182 HydrophobicContact CH2-CD1 3.91Å; W132-L182 HydrophobicContact CZ2-CB 4.25Å; W132-L182 HydrophobicContact CZ2-CD1 3.34Å; W132-L182 HydrophobicContact CZ2-CG 4.42Å; W132-A183 HydrophobicContact CB-CB 3.89Å; W132-K211 VanDerWaalsContact O-CA 3.32Å; W132-K211 WeakPolarHBondContact O-CA 3.49Å; W132-L212 PolarHBondContact O-N 3.3Å; W132-R364 HydrophobicContact CH2-CB 3.67Å; W132-R364 HydrophobicContact CH2-CG 4.03Å; W132-R364 HydrophobicContact CZ2-CB 3.77Å; W132-R364 HydrophobicContact CZ2-CG 4.17Å; W132-R364 VanDerWaalsContact CZ3-CD 3.48Å |
| 133 | L | 96 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -121 | 139.8 | -178.5 | -57 | -179.1 | 0 | 0 | 0 | 109.6 | V124 A128 A135 A183 A186 L187 L190 L212 F215 | V124-L133 HydrophobicContact CG1-CD1 4.32Å; A128-L133 HydrophobicContact CB-CB 3.91Å; A128-L133 HydrophobicContact CB-CD1 4.35Å; L133-A135 PolarHBondContact O-N 3.14Å; L133-A183 HydrophobicContact CD2-CB 4.47Å; L133-A186 HydrophobicContact CD1-CB 4.24Å; L133-A186 HydrophobicContact CG-CB 4.37Å; L133-L187 HydrophobicContact CD2-CB 4.36Å; L133-L190 HydrophobicContact CD1-CD1 4.04Å; L133-L212 HydrophobicContact CD2-CB 4.03Å; L133-L212 HydrophobicContact CD2-CD2 4.35Å; L133-F215 HydrophobicContact CB-CZ 3.98Å; L133-F215 HydrophobicContact CD2-CE1 4.06Å; L133-F215 HydrophobicContact CD2-CZ 3.89Å; L133-F215 HydrophobicContact CG-CZ 4.4Å |
| 134 | V | 95.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 119.7 | 176.3 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | M150 E151 M153 L203 K211 L212 A213 | V134-M150 HydrophobicContact CG1-CB 3.96Å; V134-M150 HydrophobicContact CG1-CG 4.3Å; V134-M150 HydrophobicContact CG1-SD 4.23Å; V134-E151 HydrophobicContact CG1-CG 4.13Å; V134-M153 HydrophobicContact CG2-CG 4.2Å; V134-M153 HydrophobicContact CG2-SD 4.31Å; V134-L203 HydrophobicContact CG2-CD1 4.44Å; V134-K211 HydrophobicContact CG2-CB 3.84Å; V134-K211 HydrophobicContact CG2-CD 4.44Å; V134-L212 WeakPolarHBondContact CG2-O 3.48Å; V134-L212 PolarHBondContact N-O 3.13Å; V134-A213 HydrophobicContact CB-CB 4.35Å; V134-A213 HydrophobicContact CG2-CB 3.84Å |
| 135 | A | 92.3 | Very high | 88.6 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -89.4 | 135.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L133 M150 E151 | L133-A135 PolarHBondContact O-N 3.14Å; A135-M150 WeakPolarHBondContact O-CA 3.38Å; A135-E151 WeakPolarHBondContact CB-OE1 3.4Å; A135-E151 PolarHBondContact N-OE1 3.48Å; A135-E151 PolarHBondContact O-N 3.44Å; A135-E151 VanDerWaalsContact O-N 3.13Å |
| 136 | C | 91.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.1 | 167.3 | 180 | 0 | 0 | 0 | 0 | 110.3 | M125 Y138 F432 R434 | M125-C136 HydrophobicContact CB-CB 3.52Å; M125-C136 PolarHBondContact O-N 3.29Å; M125-C136 HydrophobicContact SD-CB 4.44Å; C136-Y138 PolarHBondContact SG-O 3.31Å; C136-F432 WeakPolarHBondContact O-CE1 3.29Å; C136-R434 PolarHBondContact O-NE 2.94Å; C136-R434 PolarHBondContact O-NH2 3.15Å |
| 137 | H | 90.3 | Very high | 89 | Confident | 27 Ų | 27 | 35.8 Ų | 35.8 | 13% | 0.125 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -37.8 | 171.8 | -70.3 | -82 | 0 | 0 | 0 | 112.7 | Y100 C149 R434 Y435 | Y100-H137 HydrophobicContact CD1-CB 4.44Å; Y100-H137 AromaticContact CD1-CD2 3.8Å; Y100-H137 HydrophobicContact CE1-CB 3.95Å; Y100-H137 AromaticContact CE1-CD2 3.5Å; Y100-H137 VanDerWaalsContact CE1-CD2 3.5Å; Y100-H137 WeakPolarHBondContact CE1-CD2 3.36Å; Y100-H137 AromaticContact CE1-CG 3.66Å; H137-C149 PolarHBondContact N-O 3.26Å; H137-R434 PolarHBondContact O-N 3.44Å; H137-Y435 HydrophobicContact CB-CE2 4.25Å; H137-Y435 PolarHBondContact CE1-OH 3.4Å; H137-Y435 AromaticContact ND1-CE2 3.43Å; H137-Y435 WeakPolarHBondContact ND1-CE2 3.49Å; H137-Y435 AromaticContact ND1-CZ 3.47Å; H137-Y435 PolarHBondContact ND1-OH 2.99Å |
| 138 | Y | 91 | Very high | 89.6 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 120.5 | 176.8 | -47.2 | -82.8 | 0 | 0 | 0 | 110.2 | F74 Y100 C136 C149 F432 N433 Y435 | F74-Y138 HydrophobicContact CZ-CD2 4.36Å; Y100-Y138 HydrophobicContact CE2-CE2 4.14Å; Y100-Y138 AromaticContact CZ-CE2 3.99Å; C136-Y138 PolarHBondContact SG-O 3.31Å; Y138-C149 HydrophobicContact CD2-CB 4.11Å; Y138-C149 PolarHBondContact N-O 2.96Å; Y138-C149 WeakPolarHBondContact O-CA 3.47Å; Y138-C149 WeakPolarHBondContact O-CB 3.48Å; Y138-C149 PolarHBondContact O-N 3.33Å; Y138-F432 CarbonylContact C-O 3.52Å; Y138-F432 WeakPolarHBondContact CA-O 3.33Å; Y138-N433 HydrophobicContact CD1-CB 4Å; Y138-N433 WeakPolarHBondContact CD1-OD1 3.28Å; Y138-N433 WeakPolarHBondContact CE1-OD1 3.47Å; Y138-Y435 HydrophobicContact CE1-CD2 4.1Å; Y138-Y435 AromaticContact CZ-CD2 3.81Å; Y138-Y435 WeakPolarHBondContact OH-CD2 3.16Å |
| 139 | A | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | R122 Y147 L148 F430 T431 F432 | R122-A139 HydrophobicContact CG-CB 4.45Å; A139-Y147 WeakPolarHBondContact CA-O 3.47Å; A139-L148 HydrophobicContact CB-CD2 3.84Å; A139-F430 HydrophobicContact CB-CD1 4.11Å; A139-F430 HydrophobicContact CB-CE1 3.99Å; A139-F430 WeakPolarHBondContact CB-O 3.44Å; A139-T431 WeakPolarHBondContact O-CA 3.36Å; A139-F432 HydrophobicContact CB-CB 4Å; A139-F432 PolarHBondContact N-O 3.14Å; A139-F432 PolarHBondContact O-N 3.49Å; A139-F432 VanDerWaalsContact O-O 3.05Å |
| 140 | F | 93.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 170.4 | 177.7 | 61.8 | -89.4 | 0 | 0 | 0 | 111.1 | T69 Y71 F74 Y147 C149 | T69-F140 HydrophobicContact CG2-CD1 3.84Å; T69-F140 HydrophobicContact CG2-CE1 3.92Å; T69-F140 HydrophobicContact CG2-CG 4.35Å; Y71-F140 VanDerWaalsContact N-CE2 3.31Å; F74-F140 HydrophobicContact CD2-CZ 4.33Å; F74-F140 AromaticContact CE2-CE1 3.77Å; F74-F140 HydrophobicContact CE2-CE1 3.77Å; F74-F140 AromaticContact CE2-CZ 3.75Å; F74-F140 HydrophobicContact CE2-CZ 3.75Å; F74-F140 HydrophobicContact CZ-CE1 4.15Å; F140-Y147 AromaticContact CD2-CD2 3.61Å; F140-Y147 HydrophobicContact CD2-CD2 3.61Å; F140-Y147 HydrophobicContact CD2-CE2 4.4Å; F140-Y147 AromaticContact CD2-CG 3.76Å; F140-Y147 HydrophobicContact CD2-CG 3.76Å; F140-Y147 HydrophobicContact CE1-CG 4.41Å; F140-Y147 VanDerWaalsContact CE2-CB 3.48Å; F140-Y147 AromaticContact CE2-CD1 3.71Å; F140-Y147 HydrophobicContact CE2-CD1 3.71Å; F140-Y147 AromaticContact CE2-CD2 3.44Å; F140-Y147 HydrophobicContact CE2-CD2 3.44Å; F140-Y147 VanDerWaalsContact CE2-CD2 3.44Å; F140-Y147 HydrophobicContact CE2-CE1 4.29Å; F140-Y147 HydrophobicContact CE2-CE2 4.07Å; F140-Y147 AromaticContact CE2-CG 3.25Å; F140-Y147 HydrophobicContact CE2-CG 3.25Å; F140-Y147 AromaticContact CZ-CD1 3.85Å; F140-Y147 HydrophobicContact CZ-CD1 3.85Å; F140-Y147 HydrophobicContact CZ-CD2 4.29Å; F140-Y147 AromaticContact CZ-CG 3.64Å; F140-Y147 HydrophobicContact CZ-CG 3.64Å; F140-Y147 PolarHBondContact N-O 3.39Å; F140-Y147 WeakPolarHBondContact O-CB 3.48Å; F140-Y147 PolarHBondContact O-N 3.07Å; F140-C149 HydrophobicContact CE1-CB 4.31Å |
| 141 | L | 92.1 | Very high | 92 | Very high | 53 Ų | 53 | 30 Ų | 30 | 28% | 0.277 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.9 | -176.4 | 60.1 | 92.4 | 0 | 0 | 0 | 110.4 | V146 F430 | L141-V146 HydrophobicContact CB-CG1 4.16Å; L141-F430 HydrophobicContact CD2-CB 4.35Å |
| 142 | D | 88.9 | Confident | 92.2 | Very high | 62 Ų | 62 | 25.5 Ų | 25.5 | 33% | 0.332 | 12% | 0.122 | S | C | . | . | trans | -116.3 | -155.4 | 166.3 | 82.2 | -3.2 | 0 | 0 | 0 | 110.1 | K107 D144 N145 Y147 | K107-D142 WeakPolarHBondContact CE-O 3.28Å; K107-D142 PolarHBondContact NZ-O 3.44Å; D142-D144 PolarHBondContact OD1-N 3.18Å; D142-N145 PolarHBondContact N-O 2.98Å; D142-N145 PolarHBondContact OD1-N 2.93Å; D142-N145 PolarHBondContact OD1-ND2 3.1Å; D142-Y147 HydrophobicContact CB-CE2 4.08Å; D142-Y147 PolarHBondContact OD2-OH 3.28Å | ||
| 143 | K | 84.7 | Confident | 92.2 | Very high | 144 Ų | 144 | 24.5 Ų | 24.5 | 63% | 0.626 | 12% | 0.119 | S | C | * | . | S | Bend | trans | -68.2 | -41 | 177.4 | -173 | -171.9 | 168.2 | -178.4 | 0 | 112.7 | ||
| 144 | D | 85.8 | Confident | 92.2 | Very high | 63 Ų | 63 | 25.1 Ų | 25.1 | 34% | 0.337 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -114.3 | -17.1 | -161.9 | -55.5 | -42.5 | 0 | 0 | 0 | 112 | K107 D142 | K107-D144 PolarHBondContact N-O 3.49Å; D142-D144 PolarHBondContact OD1-N 3.18Å |
| 145 | N | 91.1 | Very high | 92.2 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 16% | 0.16 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163.6 | -173.8 | -46.7 | -83.5 | 0 | 0 | 0 | 113.5 | M105 D142 Y147 | M105-N145 CarbonylContact O-C 3.25Å; M105-N145 VanDerWaalsContact O-CA 3.25Å; M105-N145 WeakPolarHBondContact O-CA 3.3Å; M105-N145 WeakPolarHBondContact O-CB 3.29Å; D142-N145 PolarHBondContact N-O 2.98Å; D142-N145 PolarHBondContact OD1-N 2.93Å; D142-N145 PolarHBondContact OD1-ND2 3.1Å; N145-Y147 HydrophobicContact CB-CD2 4.43Å; N145-Y147 HydrophobicContact CB-CE2 3.72Å |
| 146 | V | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 154.5 | 160.8 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | M105 K107 L110 L141 F427 F430 | M105-V146 HydrophobicContact CB-CG2 3.96Å; M105-V146 HydrophobicContact CE-CG2 4.19Å; M105-V146 PolarHBondContact N-O 2.97Å; M105-V146 PolarHBondContact O-N 3.43Å; K107-V146 HydrophobicContact CG-CG1 4.01Å; L110-V146 HydrophobicContact CD1-CG2 3.62Å; L141-V146 HydrophobicContact CB-CG1 4.16Å; V146-F427 HydrophobicContact CG1-CB 4.48Å; V146-F427 HydrophobicContact CG1-CD1 3.65Å; V146-F427 HydrophobicContact CG1-CE1 4.16Å; V146-F427 HydrophobicContact CG1-CG 4.17Å; V146-F430 HydrophobicContact CB-CD1 4.06Å; V146-F430 HydrophobicContact CB-CE1 3.7Å; V146-F430 HydrophobicContact CB-CE2 4.41Å; V146-F430 HydrophobicContact CB-CZ 3.88Å; V146-F430 HydrophobicContact CG1-CD1 4.3Å; V146-F430 HydrophobicContact CG1-CE1 4.41Å; V146-F430 HydrophobicContact CG1-CG 4.44Å; V146-F430 HydrophobicContact CG2-CE1 4.23Å; V146-F430 HydrophobicContact CG2-CE2 4.3Å; V146-F430 HydrophobicContact CG2-CZ 3.9Å |
| 147 | Y | 94.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.1 | -169.5 | -62 | -99 | 0 | 0 | 0 | 110.9 | Y71 I102 K103 L104 A139 F140 D142 N145 | Y71-Y147 HydrophobicContact CD2-CD1 4.02Å; Y71-Y147 AromaticContact CD2-CE1 3.44Å; Y71-Y147 HydrophobicContact CD2-CE1 3.44Å; Y71-Y147 VanDerWaalsContact CD2-CE1 3.44Å; Y71-Y147 HydrophobicContact CE2-CE1 4.22Å; Y71-Y147 AromaticContact CG-CE1 3.67Å; Y71-Y147 HydrophobicContact CG-CE1 3.67Å; I102-Y147 HydrophobicContact CG2-CD1 3.96Å; K103-Y147 WeakPolarHBondContact O-CA 3.45Å; L104-Y147 HydrophobicContact CB-CD1 4.46Å; L104-Y147 HydrophobicContact CB-CE1 4.38Å; L104-Y147 HydrophobicContact CD2-CD1 4.23Å; L104-Y147 HydrophobicContact CD2-CE1 3.57Å; L104-Y147 HydrophobicContact CG-CD1 3.76Å; L104-Y147 HydrophobicContact CG-CE1 3.62Å; A139-Y147 WeakPolarHBondContact CA-O 3.47Å; F140-Y147 AromaticContact CD2-CD2 3.61Å; F140-Y147 HydrophobicContact CD2-CD2 3.61Å; F140-Y147 HydrophobicContact CD2-CE2 4.4Å; F140-Y147 AromaticContact CD2-CG 3.76Å; F140-Y147 HydrophobicContact CD2-CG 3.76Å; F140-Y147 HydrophobicContact CE1-CG 4.41Å; F140-Y147 VanDerWaalsContact CE2-CB 3.48Å; F140-Y147 AromaticContact CE2-CD1 3.71Å; F140-Y147 HydrophobicContact CE2-CD1 3.71Å; F140-Y147 AromaticContact CE2-CD2 3.44Å; F140-Y147 HydrophobicContact CE2-CD2 3.44Å; F140-Y147 VanDerWaalsContact CE2-CD2 3.44Å; F140-Y147 HydrophobicContact CE2-CE1 4.29Å; F140-Y147 HydrophobicContact CE2-CE2 4.07Å; F140-Y147 AromaticContact CE2-CG 3.25Å; F140-Y147 HydrophobicContact CE2-CG 3.25Å; F140-Y147 AromaticContact CZ-CD1 3.85Å; F140-Y147 HydrophobicContact CZ-CD1 3.85Å; F140-Y147 HydrophobicContact CZ-CD2 4.29Å; F140-Y147 AromaticContact CZ-CG 3.64Å; F140-Y147 HydrophobicContact CZ-CG 3.64Å; F140-Y147 PolarHBondContact N-O 3.39Å; F140-Y147 WeakPolarHBondContact O-CB 3.48Å; F140-Y147 PolarHBondContact O-N 3.07Å; D142-Y147 HydrophobicContact CB-CE2 4.08Å; D142-Y147 PolarHBondContact OD2-OH 3.28Å; N145-Y147 HydrophobicContact CB-CD2 4.43Å; N145-Y147 HydrophobicContact CB-CE2 3.72Å |
| 148 | L | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.7 | 168 | -63.8 | 174.4 | 0 | 0 | 0 | 109 | I102 K103 M105 E121 R122 M125 A139 F430 | I102-L148 CarbonylContact C-O 3.53Å; I102-L148 WeakPolarHBondContact CA-O 2.96Å; K103-L148 HydrophobicContact CB-CB 4.3Å; K103-L148 PolarHBondContact N-O 3.45Å; K103-L148 PolarHBondContact O-N 3.23Å; M105-L148 HydrophobicContact CE-CD1 4.02Å; M105-L148 HydrophobicContact CE-CG 4.47Å; E121-L148 HydrophobicContact CG-CD1 3.86Å; R122-L148 HydrophobicContact CB-CD2 4.15Å; R122-L148 HydrophobicContact CG-CD2 4.24Å; M125-L148 HydrophobicContact SD-CD1 4.1Å; A139-L148 HydrophobicContact CB-CD2 3.84Å; L148-F430 HydrophobicContact CD2-CE1 3.84Å; L148-F430 HydrophobicContact CD2-CZ 3.56Å; L148-F430 HydrophobicContact CG-CE1 4.38Å; L148-F430 HydrophobicContact CG-CZ 3.91Å |
| 149 | C | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 95.5 | 178.8 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | F74 Y100 I102 H137 Y138 F140 | F74-C149 VanDerWaalsContact CE1-SG 3.59Å; Y100-C149 WeakPolarHBondContact CB-SG 3.48Å; I102-C149 HydrophobicContact CG1-CB 4.29Å; H137-C149 PolarHBondContact N-O 3.26Å; Y138-C149 HydrophobicContact CD2-CB 4.11Å; Y138-C149 PolarHBondContact N-O 2.96Å; Y138-C149 WeakPolarHBondContact O-CA 3.47Å; Y138-C149 WeakPolarHBondContact O-CB 3.48Å; Y138-C149 PolarHBondContact O-N 3.33Å; F140-C149 HydrophobicContact CE1-CB 4.31Å |
| 150 | M | 94.2 | Very high | 92.8 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 164.8 | -174.7 | -55.3 | 166.3 | -66.5 | 0 | 0 | 111.6 | V88 Y100 A101 K103 M125 V134 A135 | V88-M150 HydrophobicContact CG1-CE 4.33Å; Y100-M150 WeakPolarHBondContact CA-O 3.25Å; Y100-M150 WeakPolarHBondContact CB-O 3.26Å; Y100-M150 WeakPolarHBondContact CD1-O 3.5Å; A101-M150 HydrophobicContact CB-CE 4.06Å; A101-M150 PolarHBondContact N-O 2.87Å; A101-M150 VanDerWaalsContact N-O 3.08Å; A101-M150 PolarHBondContact O-N 3.39Å; K103-M150 HydrophobicContact CB-CE 3.94Å; M125-M150 HydrophobicContact CE-CG 4.35Å; M125-M150 HydrophobicContact CE-SD 3.5Å; M125-M150 VanDerWaalsContact CE-SD 3.5Å; M125-M150 HydrophobicContact SD-CG 3.79Å; M125-M150 HydrophobicContact SD-SD 3.74Å; V134-M150 HydrophobicContact CG1-CB 3.96Å; V134-M150 HydrophobicContact CG1-CG 4.3Å; V134-M150 HydrophobicContact CG1-SD 4.23Å; A135-M150 WeakPolarHBondContact O-CA 3.38Å |
| 151 | E | 92.3 | Very high | 93 | Very high | 40 Ų | 40 | 30.6 Ų | 30.6 | 19% | 0.187 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 151.7 | 161.7 | 62.3 | -171.4 | 130.7 | 0 | 0 | 111.3 | V134 A135 M153 K211 | V134-E151 HydrophobicContact CG1-CG 4.13Å; A135-E151 WeakPolarHBondContact CB-OE1 3.4Å; A135-E151 PolarHBondContact N-OE1 3.48Å; A135-E151 PolarHBondContact O-N 3.44Å; A135-E151 VanDerWaalsContact O-N 3.13Å; E151-M153 HydrophobicContact CG-SD 4.11Å; E151-K211 IonicContact OE1-NZ 2.81Å; E151-K211 PolarHBondContact OE1-NZ 2.92Å; E151-K211 IonicContact OE2-NZ 2.59Å; E151-K211 PolarHBondContact OE2-NZ 3.13Å |
| 152 | Y | 95 | Very high | 93 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -95.7 | 133.5 | 176.2 | 177.5 | -124.8 | 0 | 0 | 0 | 110 | I80 L90 V99 A101 P154 D379 I383 | I80-Y152 HydrophobicContact CD1-CD2 4.08Å; I80-Y152 HydrophobicContact CD1-CE2 3.82Å; L90-Y152 HydrophobicContact CD1-CD1 3.73Å; L90-Y152 HydrophobicContact CD1-CD2 3.49Å; L90-Y152 VanDerWaalsContact CD1-CD2 3.49Å; L90-Y152 HydrophobicContact CD1-CE1 3.86Å; L90-Y152 HydrophobicContact CD1-CE2 3.64Å; L90-Y152 HydrophobicContact CD1-CG 3.55Å; V99-Y152 HydrophobicContact CG1-CD1 4.25Å; V99-Y152 HydrophobicContact CG1-CG 4.45Å; A101-Y152 HydrophobicContact CB-CD2 4.38Å; Y152-P154 HydrophobicContact CD1-CB 4.21Å; Y152-P154 HydrophobicContact CE1-CB 3.72Å; Y152-P154 WeakPolarHBondContact O-CD 3.48Å; Y152-D379 PolarHBondContact OH-O 3.36Å; Y152-I383 HydrophobicContact CE2-CD1 3.63Å; Y152-I383 VanDerWaalsContact OH-CD1 3.23Å; Y152-I383 WeakPolarHBondContact OH-CD1 3.5Å |
| 153 | M | 95.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.054 | 14% | 0.137 | C | C | . | . | trans | -107.2 | 88.8 | -177.4 | -57.4 | -59.9 | -69.7 | 0 | 0 | 109.4 | V134 E151 G155 L203 D205 K211 | V134-M153 HydrophobicContact CG2-CG 4.2Å; V134-M153 HydrophobicContact CG2-SD 4.31Å; E151-M153 HydrophobicContact CG-SD 4.11Å; M153-G155 PolarHBondContact O-N 2.98Å; M153-L203 HydrophobicContact CB-CB 3.87Å; M153-L203 HydrophobicContact CB-CD1 4.11Å; M153-L203 HydrophobicContact CE-CB 4.06Å; M153-L203 WeakPolarHBondContact CE-O 3.2Å; M153-L203 HydrophobicContact CG-CB 3.87Å; M153-L203 HydrophobicContact CG-CD1 3.87Å; M153-D205 HydrophobicContact CE-CB 3.84Å; M153-K211 HydrophobicContact CE-CB 3.8Å; M153-K211 HydrophobicContact CE-CD 3.87Å; M153-K211 HydrophobicContact CE-CG 3.74Å; M153-K211 HydrophobicContact SD-CD 4.11Å | ||
| 154 | P | 94.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 28 Ų | 28 | 8% | 0.078 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.3 | -172.6 | 33 | -38.6 | 0 | 0 | 0 | 113.9 | Y152 G156 A206 V374 N382 | Y152-P154 HydrophobicContact CD1-CB 4.21Å; Y152-P154 HydrophobicContact CE1-CB 3.72Å; Y152-P154 WeakPolarHBondContact O-CD 3.48Å; P154-G156 VanDerWaalsContact C-N 3.26Å; P154-G156 PolarHBondContact O-N 2.94Å; P154-A206 HydrophobicContact CG-CB 3.8Å; P154-V374 HydrophobicContact CB-CG1 3.75Å; P154-V374 HydrophobicContact CB-CG2 3.87Å; P154-V374 HydrophobicContact CG-CG1 4.08Å; P154-V374 HydrophobicContact CG-CG2 4.06Å; P154-N382 PolarHBondContact O-ND2 2.89Å |
| 155 | G | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | M153 W161 L204 N382 | M153-G155 PolarHBondContact O-N 2.98Å; G155-W161 PolarHBondContact O-NE1 3.38Å; G155-L204 WeakPolarHBondContact CA-O 3.35Å; G155-L204 PolarHBondContact N-O 2.74Å; G155-N382 WeakPolarHBondContact O-CB 3.35Å |
| 156 | G | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.1 | -170.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P154 L203 L204 N382 | P154-G156 VanDerWaalsContact C-N 3.26Å; P154-G156 PolarHBondContact O-N 2.94Å; G156-L203 CarbonylContact O-C 3.58Å; G156-L203 WeakPolarHBondContact O-CA 3.31Å; G156-L204 PolarHBondContact O-N 3.48Å; G156-N382 VanDerWaalsContact CA-O 3.25Å; G156-N382 WeakPolarHBondContact CA-O 3.4Å |
| 157 | D | 94.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 156 | 169.3 | 49.9 | 87.8 | 0 | 0 | 0 | 111.5 | Y159 Y160 W161 L203 | D157-Y159 PolarHBondContact O-N 3.02Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.4Å; D157-Y160 PolarHBondContact O-N 3.19Å; D157-Y160 WeakPolarHBondContact OD1-CB 3.49Å; D157-Y160 PolarHBondContact OD1-N 3.36Å; D157-W161 VanDerWaalsContact O-CD1 3.25Å; D157-L203 HydrophobicContact CB-CD2 3.81Å |
| 158 | L | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.5 | -21.5 | 179.2 | -164.8 | 62.2 | 0 | 0 | 0 | 112 | W161 L162 F168 Y176 P199 M202 L204 L210 M269 | L158-W161 HydrophobicContact CD1-CB 4.36Å; L158-W161 PolarHBondContact O-N 3Å; L158-L162 PolarHBondContact O-N 2.85Å; L158-F168 HydrophobicContact CD1-CE2 4.01Å; L158-F168 HydrophobicContact CD1-CZ 4.04Å; L158-F168 HydrophobicContact CG-CE2 4.33Å; L158-Y176 HydrophobicContact CD1-CD1 4.49Å; L158-Y176 HydrophobicContact CD1-CD2 4.16Å; L158-Y176 HydrophobicContact CD1-CE2 4.42Å; L158-Y176 HydrophobicContact CD1-CG 4.22Å; L158-Y176 HydrophobicContact CD2-CG 4.41Å; L158-P199 HydrophobicContact CB-CB 4.36Å; L158-P199 PolarHBondContact N-O 3.31Å; L158-P199 VanDerWaalsContact N-O 3.16Å; L158-M202 HydrophobicContact CB-CB 3.88Å; L158-M202 WeakPolarHBondContact CB-O 3.21Å; L158-M202 HydrophobicContact CD2-CB 4.22Å; L158-M202 HydrophobicContact CD2-CE 3.66Å; L158-M202 HydrophobicContact CD2-SD 4.27Å; L158-M202 PolarHBondContact N-O 3.28Å; L158-L204 HydrophobicContact CD1-CD1 4.43Å; L158-L204 HydrophobicContact CD1-CD2 4.43Å; L158-L210 HydrophobicContact CD2-CD1 4.31Å; L158-M269 HydrophobicContact CD2-CE 3.55Å |
| 159 | Y | 94.2 | Very high | 94 | Very high | 92 Ų | 92 | 41.6 Ų | 41.6 | 36% | 0.361 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 173.1 | -177.8 | -99.7 | 0 | 0 | 0 | 112 | D157 W161 L162 E163 P199 | D157-Y159 PolarHBondContact O-N 3.02Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.4Å; Y159-W161 PolarHBondContact O-N 3.47Å; Y159-L162 PolarHBondContact O-N 2.81Å; Y159-L162 VanDerWaalsContact O-N 3.07Å; Y159-E163 PolarHBondContact O-N 2.77Å; Y159-P199 PolarHBondContact N-O 3.23Å |
| 160 | Y | 93.4 | Very high | 94 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.3 | -37.5 | 173.4 | 162.8 | -102.6 | 0 | 0 | 0 | 112.4 | D157 K164 N382 | D157-Y160 PolarHBondContact O-N 3.19Å; D157-Y160 WeakPolarHBondContact OD1-CB 3.49Å; D157-Y160 PolarHBondContact OD1-N 3.36Å; Y160-K164 HydrophobicContact CE1-CD 3.95Å; Y160-K164 HydrophobicContact CE2-CD 4.35Å; Y160-K164 WeakPolarHBondContact O-CB 3.46Å; Y160-K164 PolarHBondContact O-N 2.88Å; Y160-K164 PolarHBondContact OH-NZ 3.09Å; Y160-N382 WeakPolarHBondContact CD1-O 3.03Å; Y160-N382 HydrophobicContact CE1-CB 4.14Å |
| 161 | W | 95.5 | Very high | 94 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.2 | -34.1 | 177.1 | -70.8 | 105 | 0 | 0 | 0 | 112.5 | G155 D157 L158 Y159 K164 Y165 F168 L204 I370 P372 | G155-W161 PolarHBondContact O-NE1 3.38Å; D157-W161 VanDerWaalsContact O-CD1 3.25Å; L158-W161 HydrophobicContact CD1-CB 4.36Å; L158-W161 PolarHBondContact O-N 3Å; Y159-W161 PolarHBondContact O-N 3.47Å; W161-K164 HydrophobicContact CE3-CD 3.72Å; W161-K164 HydrophobicContact CZ3-CD 3.84Å; W161-K164 VanDerWaalsContact CZ3-CE 3.47Å; W161-K164 PolarHBondContact O-N 3.4Å; W161-Y165 HydrophobicContact CE3-CD2 4.29Å; W161-Y165 AromaticContact CE3-CE2 3.82Å; W161-Y165 HydrophobicContact CE3-CE2 3.82Å; W161-Y165 HydrophobicContact CZ3-CE2 4.17Å; W161-Y165 WeakPolarHBondContact O-CD2 2.9Å; W161-Y165 PolarHBondContact O-N 3.46Å; W161-F168 HydrophobicContact CB-CZ 4.23Å; W161-L204 HydrophobicContact CG-CD1 4.35Å; W161-I370 HydrophobicContact CB-CD1 3.99Å; W161-I370 HydrophobicContact CD2-CD1 4.33Å; W161-I370 HydrophobicContact CD2-CG2 3.6Å; W161-I370 HydrophobicContact CE3-CD1 4.25Å; W161-I370 HydrophobicContact CE3-CG2 3.43Å; W161-I370 VanDerWaalsContact CE3-CG2 3.43Å; W161-I370 HydrophobicContact CG-CD1 4.23Å; W161-I370 HydrophobicContact CG-CG2 4.35Å; W161-I370 HydrophobicContact CH2-CG2 3.59Å; W161-I370 HydrophobicContact CZ2-CG2 3.83Å; W161-I370 HydrophobicContact CZ3-CG2 3.38Å; W161-P372 HydrophobicContact CZ2-CB 3.92Å; W161-P372 HydrophobicContact CZ2-CG 3.96Å |
| 162 | L | 93.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -45.8 | 173.7 | -166.5 | 50.6 | 0 | 0 | 0 | 111.6 | L158 Y159 K164 Y165 D166 F168 E268 | L158-L162 PolarHBondContact O-N 2.85Å; Y159-L162 PolarHBondContact O-N 2.81Å; Y159-L162 VanDerWaalsContact O-N 3.07Å; L162-K164 PolarHBondContact O-N 3.35Å; L162-Y165 PolarHBondContact O-N 3.33Å; L162-D166 PolarHBondContact O-N 3.15Å; L162-F168 HydrophobicContact CB-CZ 4.34Å; L162-F168 HydrophobicContact CD1-CD1 4.24Å; L162-F168 HydrophobicContact CD1-CD2 4.49Å; L162-F168 HydrophobicContact CD1-CE1 4.21Å; L162-F168 HydrophobicContact CD1-CE2 4.45Å; L162-F168 HydrophobicContact CD1-CG 4.38Å; L162-F168 HydrophobicContact CD1-CZ 4.31Å; L162-E268 HydrophobicContact CD2-CB 4.37Å; L162-E268 HydrophobicContact CD2-CG 3.8Å |
| 163 | E | 91.8 | Very high | 94.3 | Very high | 94 Ų | 94 | 45 Ų | 45 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.4 | -28.8 | 171.5 | -167.1 | -163.7 | 172.6 | 0 | 0 | 111.8 | Y159 N384 K1418 | Y159-E163 PolarHBondContact O-N 2.77Å; E163-N384 PolarHBondContact OE2-ND2 3.34Å; E163-K1418 IonicContact OE1-NZ 3.98Å; E163-K1418 PolarHBondContact OE1-NZ 3.49Å; E163-K1418 IonicContact OE2-NZ 3.17Å |
| 164 | K | 92.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 44% | 0.443 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -90.7 | -24.8 | -174.1 | 176.9 | 174.3 | 174.9 | -177.6 | 0 | 114.6 | Y160 W161 L162 | Y160-K164 HydrophobicContact CE1-CD 3.95Å; Y160-K164 HydrophobicContact CE2-CD 4.35Å; Y160-K164 WeakPolarHBondContact O-CB 3.46Å; Y160-K164 PolarHBondContact O-N 2.88Å; Y160-K164 PolarHBondContact OH-NZ 3.09Å; W161-K164 HydrophobicContact CE3-CD 3.72Å; W161-K164 HydrophobicContact CZ3-CD 3.84Å; W161-K164 VanDerWaalsContact CZ3-CE 3.47Å; W161-K164 PolarHBondContact O-N 3.4Å; L162-K164 PolarHBondContact O-N 3.35Å |
| 165 | Y | 92.7 | Very high | 94.5 | Very high | 103 Ų | 103 | 46.4 Ų | 46.4 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -101.8 | -15.3 | 176.9 | -84.8 | -94.8 | 0 | 0 | 0 | 113.1 | W161 L162 T167 F168 I172 I370 | W161-Y165 HydrophobicContact CE3-CD2 4.29Å; W161-Y165 AromaticContact CE3-CE2 3.82Å; W161-Y165 HydrophobicContact CE3-CE2 3.82Å; W161-Y165 HydrophobicContact CZ3-CE2 4.17Å; W161-Y165 WeakPolarHBondContact O-CD2 2.9Å; W161-Y165 PolarHBondContact O-N 3.46Å; L162-Y165 PolarHBondContact O-N 3.33Å; Y165-T167 PolarHBondContact O-N 2.69Å; Y165-F168 HydrophobicContact CD2-CE1 4.05Å; Y165-F168 HydrophobicContact CG-CD1 4.2Å; Y165-F168 HydrophobicContact CG-CE1 4.08Å; Y165-I172 HydrophobicContact CE1-CD1 4.32Å; Y165-I370 HydrophobicContact CD2-CD1 4.37Å; Y165-I370 HydrophobicContact CE2-CD1 3.95Å; Y165-I370 HydrophobicContact CE2-CG1 4.14Å |
| 166 | D | 90.6 | Very high | 94.6 | Very high | 129 Ų | 129 | 46.4 Ų | 46.4 | 69% | 0.69 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 69.4 | -51.4 | -173.3 | -139.8 | 26.2 | 0 | 0 | 0 | 112 | L162 G272 | L162-D166 PolarHBondContact O-N 3.15Å; D166-G272 WeakPolarHBondContact O-CA 3.32Å |
| 167 | T | 93.7 | Very high | 94.8 | Very high | 62 Ų | 62 | 46.3 Ų | 46.3 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -141.1 | 159.6 | 165.1 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | Y165 | Y165-T167 PolarHBondContact O-N 2.69Š|
| 168 | F | 95.4 | Very high | 95 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | trans | -100.6 | 141 | 173.9 | -70 | -14.4 | 0 | 0 | 0 | 111.2 | L158 W161 L162 Y165 I172 A173 M269 I370 | L158-F168 HydrophobicContact CD1-CE2 4.01Å; L158-F168 HydrophobicContact CD1-CZ 4.04Å; L158-F168 HydrophobicContact CG-CE2 4.33Å; W161-F168 HydrophobicContact CB-CZ 4.23Å; L162-F168 HydrophobicContact CB-CZ 4.34Å; L162-F168 HydrophobicContact CD1-CD1 4.24Å; L162-F168 HydrophobicContact CD1-CD2 4.49Å; L162-F168 HydrophobicContact CD1-CE1 4.21Å; L162-F168 HydrophobicContact CD1-CE2 4.45Å; L162-F168 HydrophobicContact CD1-CG 4.38Å; L162-F168 HydrophobicContact CD1-CZ 4.31Å; Y165-F168 HydrophobicContact CD2-CE1 4.05Å; Y165-F168 HydrophobicContact CG-CD1 4.2Å; Y165-F168 HydrophobicContact CG-CE1 4.08Å; F168-I172 HydrophobicContact CB-CB 4.1Å; F168-I172 HydrophobicContact CB-CG2 4Å; F168-I172 HydrophobicContact CD1-CG2 3.96Å; F168-I172 HydrophobicContact CD2-CG2 3.8Å; F168-I172 HydrophobicContact CE1-CG2 4.37Å; F168-I172 HydrophobicContact CE2-CG2 4.24Å; F168-I172 HydrophobicContact CG-CB 4.31Å; F168-I172 HydrophobicContact CG-CG2 3.66Å; F168-A173 HydrophobicContact CB-CB 4.17Å; F168-M269 HydrophobicContact CB-CB 4.42Å; F168-M269 HydrophobicContact CD2-CB 4.13Å; F168-M269 HydrophobicContact CD2-CE 4.32Å; F168-M269 HydrophobicContact CD2-CG 3.7Å; F168-M269 HydrophobicContact CD2-SD 4.06Å; F168-M269 HydrophobicContact CE2-CE 4.18Å; F168-M269 HydrophobicContact CE2-CG 4.17Å; F168-M269 PolarHBondContact N-O 3.47Å; F168-I370 HydrophobicContact CE1-CD1 4.09Å; F168-I370 HydrophobicContact CZ-CD1 4.03Å | ||
| 169 | D | 93.6 | Very high | 95.1 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | trans | -70.3 | 161.2 | 167.2 | 78.1 | 65.4 | 0 | 0 | 0 | 111.7 | T171 I172 A173 | D169-T171 PolarHBondContact O-N 2.9Å; D169-T171 VanDerWaalsContact OD1-CA 3.26Å; D169-T171 WeakPolarHBondContact OD1-CA 3.37Å; D169-T171 WeakPolarHBondContact OD1-CB 3.42Å; D169-T171 PolarHBondContact OD1-N 2.77Å; D169-T171 PolarHBondContact OD1-OG1 3.38Å; D169-I172 PolarHBondContact O-N 3.49Å; D169-I172 VanDerWaalsContact O-N 3.07Å; D169-I172 PolarHBondContact OD1-N 2.88Å; D169-I172 WeakPolarHBondContact OD2-CD1 3.5Å; D169-A173 WeakPolarHBondContact O-CB 3.29Å; D169-A173 PolarHBondContact O-N 3.41Å | ||
| 170 | E | 94.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.229 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -19.2 | -175.1 | -151.3 | -172.1 | 139.3 | 0 | 0 | 113.7 | R174 F270 S305 T308 F354 | E170-R174 WeakPolarHBondContact O-CB 3.28Å; E170-R174 PolarHBondContact O-N 3.48Å; E170-R174 VanDerWaalsContact O-N 3.16Å; E170-R174 PolarHBondContact O-NH1 2.82Å; E170-R174 IonicContact OE1-CZ 3.91Å; E170-R174 IonicContact OE1-NH2 3.76Å; E170-R174 PolarHBondContact OE1-NH2 2.81Å; E170-F270 HydrophobicContact CB-CE1 4.04Å; E170-F270 HydrophobicContact CB-CZ 4.34Å; E170-F270 HydrophobicContact CG-CE1 4.02Å; E170-F270 HydrophobicContact CG-CZ 3.89Å; E170-S305 PolarHBondContact OE1-OG 3.08Å; E170-S305 WeakPolarHBondContact OE2-CB 3.33Å; E170-S305 PolarHBondContact OE2-OG 2.84Å; E170-T308 WeakPolarHBondContact CG-OG1 3.46Å; E170-T308 PolarHBondContact OE1-OG1 3.02Å; E170-T308 VanDerWaalsContact OE1-OG1 3.12Å; E170-F354 HydrophobicContact CG-CE2 3.86Å |
| 171 | T | 94.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 38.6 Ų | 38.6 | 58% | 0.577 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -75.6 | -49.8 | 173.2 | -32.8 | 0 | 0 | 0 | 0 | 110.7 | D169 F175 | D169-T171 PolarHBondContact O-N 2.9Å; D169-T171 VanDerWaalsContact OD1-CA 3.26Å; D169-T171 WeakPolarHBondContact OD1-CA 3.37Å; D169-T171 WeakPolarHBondContact OD1-CB 3.42Å; D169-T171 PolarHBondContact OD1-N 2.77Å; D169-T171 PolarHBondContact OD1-OG1 3.38Å; T171-F175 WeakPolarHBondContact O-CB 3.42Å; T171-F175 PolarHBondContact O-N 3Å; T171-F175 VanDerWaalsContact O-N 3.14Å |
| 172 | I | 96.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -50.2 | 178.2 | -59.3 | 174.1 | 0 | 0 | 0 | 109.9 | Y165 F168 D169 F175 Y176 P369 I370 | Y165-I172 HydrophobicContact CE1-CD1 4.32Å; F168-I172 HydrophobicContact CB-CB 4.1Å; F168-I172 HydrophobicContact CB-CG2 4Å; F168-I172 HydrophobicContact CD1-CG2 3.96Å; F168-I172 HydrophobicContact CD2-CG2 3.8Å; F168-I172 HydrophobicContact CE1-CG2 4.37Å; F168-I172 HydrophobicContact CE2-CG2 4.24Å; F168-I172 HydrophobicContact CG-CB 4.31Å; F168-I172 HydrophobicContact CG-CG2 3.66Å; D169-I172 PolarHBondContact O-N 3.49Å; D169-I172 VanDerWaalsContact O-N 3.07Å; D169-I172 PolarHBondContact OD1-N 2.88Å; D169-I172 WeakPolarHBondContact OD2-CD1 3.5Å; I172-F175 PolarHBondContact O-N 3.37Å; I172-Y176 HydrophobicContact CG2-CD2 3.99Å; I172-Y176 HydrophobicContact CG2-CE2 4.02Å; I172-Y176 WeakPolarHBondContact O-CD2 3.45Å; I172-Y176 PolarHBondContact O-N 3.06Å; I172-P369 HydrophobicContact CG1-CB 4.21Å; I172-P369 HydrophobicContact CG2-CG 4.43Å; I172-I370 HydrophobicContact CG2-CD1 4.21Å; I172-I370 HydrophobicContact CG2-CG1 4.33Å |
| 173 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F168 D169 F175 Y176 L177 M269 F270 | F168-A173 HydrophobicContact CB-CB 4.17Å; D169-A173 WeakPolarHBondContact O-CB 3.29Å; D169-A173 PolarHBondContact O-N 3.41Å; A173-F175 VanDerWaalsContact C-N 3.3Å; A173-F175 PolarHBondContact O-N 3.43Å; A173-Y176 PolarHBondContact O-N 3.04Å; A173-L177 HydrophobicContact CB-CD1 4.35Å; A173-L177 VanDerWaalsContact O-CB 3.27Å; A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 WeakPolarHBondContact O-CD1 3.46Å; A173-L177 WeakPolarHBondContact O-CG 3.03Å; A173-L177 PolarHBondContact O-N 3.01Å; A173-M269 HydrophobicContact CB-CB 4.21Å; A173-M269 HydrophobicContact CB-SD 4Å; A173-F270 HydrophobicContact CB-CE1 3.87Å; A173-F270 HydrophobicContact CB-CE2 3.93Å; A173-F270 HydrophobicContact CB-CZ 3.42Å; A173-F270 VanDerWaalsContact CB-CZ 3.42Å |
| 174 | R | 97.5 | Very high | 96.1 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 14% | 0.143 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | 179.8 | -169.8 | -168.8 | -59.2 | 102.2 | -3.5 | 112.6 | E170 A178 F354 F355 S357 I358 | E170-R174 WeakPolarHBondContact O-CB 3.28Å; E170-R174 PolarHBondContact O-N 3.48Å; E170-R174 VanDerWaalsContact O-N 3.16Å; E170-R174 PolarHBondContact O-NH1 2.82Å; E170-R174 IonicContact OE1-CZ 3.91Å; E170-R174 IonicContact OE1-NH2 3.76Å; E170-R174 PolarHBondContact OE1-NH2 2.81Å; R174-A178 VanDerWaalsContact O-CB 3.23Å; R174-A178 WeakPolarHBondContact O-CB 3.36Å; R174-A178 PolarHBondContact O-N 3Å; R174-F354 HydrophobicContact CB-CE1 3.95Å; R174-F354 HydrophobicContact CB-CE2 4.22Å; R174-F354 HydrophobicContact CB-CZ 3.61Å; R174-F354 WeakPolarHBondContact CD-O 3.48Å; R174-F354 HydrophobicContact CG-CD1 4.21Å; R174-F354 HydrophobicContact CG-CE1 3.78Å; R174-F354 HydrophobicContact CG-CE2 4.37Å; R174-F354 HydrophobicContact CG-CZ 3.87Å; R174-F354 PolarHBondContact NE-O 3.21Å; R174-F355 HydrophobicContact CG-CD1 3.9Å; R174-F355 HydrophobicContact CG-CE1 4.31Å; R174-S357 WeakPolarHBondContact CD-OG 3.29Å; R174-I358 HydrophobicContact CG-CD1 4.1Å; R174-I358 HydrophobicContact CG-CG1 4.17Å |
| 175 | F | 97.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -56.9 | 174.9 | -177.2 | -86.9 | 0 | 0 | 0 | 111.1 | T171 I172 A173 L177 A178 E179 H209 L363 A368 P369 | T171-F175 WeakPolarHBondContact O-CB 3.42Å; T171-F175 PolarHBondContact O-N 3Å; T171-F175 VanDerWaalsContact O-N 3.14Å; I172-F175 PolarHBondContact O-N 3.37Å; A173-F175 VanDerWaalsContact C-N 3.3Å; A173-F175 PolarHBondContact O-N 3.43Å; F175-L177 PolarHBondContact O-N 3.27Å; F175-A178 WeakPolarHBondContact O-CB 3.31Å; F175-A178 PolarHBondContact O-N 3.47Å; F175-A178 VanDerWaalsContact O-N 3.13Å; F175-E179 HydrophobicContact CD1-CG 4.37Å; F175-E179 HydrophobicContact CE1-CG 4Å; F175-E179 VanDerWaalsContact CE1-OE2 3.3Å; F175-E179 WeakPolarHBondContact CE1-OE2 3.37Å; F175-E179 HydrophobicContact CZ-CG 4.31Å; F175-E179 WeakPolarHBondContact CZ-OE1 3.43Å; F175-E179 PolarHBondContact O-N 3.46Å; F175-H209 AromaticContact CZ-CE1 3.92Å; F175-H209 AromaticContact CZ-ND1 3.71Å; F175-L363 HydrophobicContact CD2-CD1 3.61Å; F175-L363 HydrophobicContact CE2-CD1 3.56Å; F175-L363 HydrophobicContact CE2-CG 4.31Å; F175-L363 HydrophobicContact CG-CD1 4.48Å; F175-L363 HydrophobicContact CZ-CD1 4.39Å; F175-A368 HydrophobicContact CE1-CB 3.88Å; F175-A368 HydrophobicContact CZ-CB 3.88Å; F175-P369 HydrophobicContact CB-CG 4.02Å; F175-P369 HydrophobicContact CD1-CG 3.91Å; F175-P369 HydrophobicContact CG-CG 3.93Å |
| 176 | Y | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.5 | -34.8 | -177.2 | -71.6 | -59.4 | 0 | 0 | 0 | 113.2 | L158 I172 A173 A178 E179 T180 L204 G208 L210 P369 I370 | L158-Y176 HydrophobicContact CD1-CD1 4.49Å; L158-Y176 HydrophobicContact CD1-CD2 4.16Å; L158-Y176 HydrophobicContact CD1-CE2 4.42Å; L158-Y176 HydrophobicContact CD1-CG 4.22Å; L158-Y176 HydrophobicContact CD2-CG 4.41Å; I172-Y176 HydrophobicContact CG2-CD2 3.99Å; I172-Y176 HydrophobicContact CG2-CE2 4.02Å; I172-Y176 WeakPolarHBondContact O-CD2 3.45Å; I172-Y176 PolarHBondContact O-N 3.06Å; A173-Y176 PolarHBondContact O-N 3.04Å; Y176-A178 VanDerWaalsContact C-N 3.31Å; Y176-A178 PolarHBondContact O-N 3.23Å; Y176-E179 PolarHBondContact O-N 3.19Å; Y176-T180 WeakPolarHBondContact O-CB 3.39Å; Y176-T180 PolarHBondContact O-N 3.05Å; Y176-T180 PolarHBondContact O-OG1 3.27Å; Y176-L204 HydrophobicContact CD1-CD2 4.18Å; Y176-L204 HydrophobicContact CE1-CD1 4.42Å; Y176-L204 HydrophobicContact CE1-CD2 3.62Å; Y176-G208 WeakPolarHBondContact CE1-O 3.39Å; Y176-G208 PolarHBondContact OH-O 3.47Å; Y176-L210 HydrophobicContact CD1-CB 4.15Å; Y176-L210 HydrophobicContact CD1-CD1 4.26Å; Y176-P369 HydrophobicContact CE2-CG 3.88Å; Y176-I370 HydrophobicContact CE2-CB 4.36Å; Y176-I370 HydrophobicContact CE2-CD1 3.89Å; Y176-I370 HydrophobicContact CE2-CG1 4.03Å; Y176-I370 WeakPolarHBondContact OH-CB 3.27Å |
| 177 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 172.1 | -67.6 | 166.9 | 0 | 0 | 0 | 111.4 | A173 F175 T180 V181 L262 I265 A266 M269 F311 F354 F355 | A173-L177 HydrophobicContact CB-CD1 4.35Å; A173-L177 VanDerWaalsContact O-CB 3.27Å; A173-L177 WeakPolarHBondContact O-CB 3.34Å; A173-L177 WeakPolarHBondContact O-CD1 3.46Å; A173-L177 WeakPolarHBondContact O-CG 3.03Å; A173-L177 PolarHBondContact O-N 3.01Å; F175-L177 PolarHBondContact O-N 3.27Å; L177-T180 PolarHBondContact O-N 2.86Å; L177-V181 WeakPolarHBondContact O-CG2 3.32Å; L177-V181 PolarHBondContact O-N 3.36Å; L177-L262 HydrophobicContact CD2-CD1 3.55Å; L177-L262 HydrophobicContact CD2-CG 4.28Å; L177-I265 HydrophobicContact CD2-CG2 4.49Å; L177-A266 HydrophobicContact CD1-CB 3.82Å; L177-A266 HydrophobicContact CD2-CB 3.86Å; L177-M269 HydrophobicContact CD1-SD 4.1Å; L177-M269 HydrophobicContact CD2-CE 4.39Å; L177-M269 HydrophobicContact CD2-SD 3.97Å; L177-M269 HydrophobicContact CG-CE 4.47Å; L177-M269 HydrophobicContact CG-SD 3.78Å; L177-F311 HydrophobicContact CD1-CE1 4.22Å; L177-F354 HydrophobicContact CB-CE1 4.37Å; L177-F354 HydrophobicContact CD1-CE1 3.82Å; L177-F354 HydrophobicContact CD1-CZ 3.9Å; L177-F355 HydrophobicContact CB-CE1 4.09Å; L177-F355 HydrophobicContact CB-CZ 4.15Å |
| 178 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.6 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R174 F175 Y176 T180 V181 L182 F355 I358 W360 L363 | R174-A178 VanDerWaalsContact O-CB 3.23Å; R174-A178 WeakPolarHBondContact O-CB 3.36Å; R174-A178 PolarHBondContact O-N 3Å; F175-A178 WeakPolarHBondContact O-CB 3.31Å; F175-A178 PolarHBondContact O-N 3.47Å; F175-A178 VanDerWaalsContact O-N 3.13Å; Y176-A178 VanDerWaalsContact C-N 3.31Å; Y176-A178 PolarHBondContact O-N 3.23Å; A178-T180 PolarHBondContact O-N 2.65Å; A178-V181 PolarHBondContact O-N 3.47Å; A178-V181 VanDerWaalsContact O-N 3.17Å; A178-L182 PolarHBondContact O-N 2.77Å; A178-F355 HydrophobicContact CB-CD1 4.05Å; A178-F355 HydrophobicContact CB-CE1 3.86Å; A178-I358 HydrophobicContact CB-CD1 4.22Å; A178-I358 HydrophobicContact CB-CG1 4.11Å; A178-I358 HydrophobicContact CB-CG2 4.12Å; A178-W360 HydrophobicContact CB-CE3 4.47Å; A178-W360 HydrophobicContact CB-CH2 3.89Å; A178-W360 HydrophobicContact CB-CZ3 3.68Å; A178-W360 WeakPolarHBondContact O-CZ3 3.26Å; A178-L363 HydrophobicContact CB-CD2 3.66Å |
| 179 | E | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -34.4 | 173.5 | -64.6 | -162.3 | 134.6 | 0 | 0 | 111.6 | W132 F175 Y176 L182 A183 H209 L210 L363 | W132-E179 HydrophobicContact CE3-CB 4.24Å; W132-E179 HydrophobicContact CH2-CG 4.06Å; W132-E179 HydrophobicContact CZ3-CB 3.77Å; W132-E179 HydrophobicContact CZ3-CG 3.61Å; W132-E179 WeakPolarHBondContact CZ3-OE1 3.32Å; F175-E179 HydrophobicContact CD1-CG 4.37Å; F175-E179 HydrophobicContact CE1-CG 4Å; F175-E179 VanDerWaalsContact CE1-OE2 3.3Å; F175-E179 WeakPolarHBondContact CE1-OE2 3.37Å; F175-E179 HydrophobicContact CZ-CG 4.31Å; F175-E179 WeakPolarHBondContact CZ-OE1 3.43Å; F175-E179 PolarHBondContact O-N 3.46Å; Y176-E179 PolarHBondContact O-N 3.19Å; E179-L182 PolarHBondContact O-N 3.34Å; E179-A183 PolarHBondContact O-N 3.02Å; E179-H209 IonicContact OE1-CE1 2.65Å; E179-H209 IonicContact OE1-CG 2.63Å; E179-H209 IonicContact OE1-ND1 2.8Å; E179-H209 PolarHBondContact OE1-ND1 2.91Å; E179-L210 HydrophobicContact CB-CB 4.01Å; E179-L210 VanDerWaalsContact OE2-CB 3.31Å; E179-L210 WeakPolarHBondContact OE2-CB 3.45Å; E179-L210 PolarHBondContact OE2-N 3.16Å; E179-L363 HydrophobicContact CG-CD2 3.69Å; E179-L363 HydrophobicContact CG-CG 4.02Å |
| 180 | T | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 175.4 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | Y176 L177 A178 L182 A183 L184 L197 M202 L210 L262 | Y176-T180 WeakPolarHBondContact O-CB 3.39Å; Y176-T180 PolarHBondContact O-N 3.05Å; Y176-T180 PolarHBondContact O-OG1 3.27Å; L177-T180 PolarHBondContact O-N 2.86Å; A178-T180 PolarHBondContact O-N 2.65Å; T180-L182 VanDerWaalsContact C-N 3.29Å; T180-L182 PolarHBondContact O-N 2.93Å; T180-A183 PolarHBondContact O-N 2.96Å; T180-L184 HydrophobicContact CG2-CD1 4.35Å; T180-L184 HydrophobicContact CG2-CG 4.45Å; T180-L184 WeakPolarHBondContact O-CB 3.09Å; T180-L184 WeakPolarHBondContact O-CG 3.33Å; T180-L184 PolarHBondContact O-N 2.89Å; T180-L197 HydrophobicContact CG2-CD1 4.3Å; T180-L197 HydrophobicContact CG2-CD2 4.45Å; T180-M202 HydrophobicContact CG2-CE 3.91Å; T180-M202 WeakPolarHBondContact OG1-CE 3.42Å; T180-L210 WeakPolarHBondContact OG1-CD1 3.45Å; T180-L262 HydrophobicContact CG2-CD1 3.68Å |
| 181 | V | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 173.1 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L177 A178 E185 W259 L262 V349 K350 F355 W360 | L177-V181 WeakPolarHBondContact O-CG2 3.32Å; L177-V181 PolarHBondContact O-N 3.36Å; A178-V181 PolarHBondContact O-N 3.47Å; A178-V181 VanDerWaalsContact O-N 3.17Å; V181-E185 VanDerWaalsContact O-CB 3.29Å; V181-E185 WeakPolarHBondContact O-CB 3.37Å; V181-E185 PolarHBondContact O-N 3.29Å; V181-W259 HydrophobicContact CB-CZ3 4.44Å; V181-W259 HydrophobicContact CG1-CH2 4.31Å; V181-W259 HydrophobicContact CG1-CZ3 4.38Å; V181-W259 HydrophobicContact CG2-CZ3 4.1Å; V181-L262 HydrophobicContact CG2-CD2 3.77Å; V181-V349 HydrophobicContact CG1-CB 4.46Å; V181-V349 HydrophobicContact CG1-CG1 4.17Å; V181-V349 HydrophobicContact CG2-CG1 3.65Å; V181-K350 HydrophobicContact CG1-CG 3.81Å; V181-F355 HydrophobicContact CG2-CE2 4.18Å; V181-F355 HydrophobicContact CG2-CZ 4.02Å; V181-W360 HydrophobicContact CB-CH2 4.31Å; V181-W360 HydrophobicContact CB-CZ3 4.13Å; V181-W360 HydrophobicContact CG1-CH2 4.19Å; V181-W360 HydrophobicContact CG1-CZ3 4.1Å |
| 182 | L | 97.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 15.1 Ų | 15.1 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.9 | -34.3 | 175.2 | -64.2 | 175.1 | 0 | 0 | 0 | 112.9 | W132 A178 E179 T180 A186 K350 W360 L363 | W132-L182 HydrophobicContact CD2-CB 3.92Å; W132-L182 HydrophobicContact CG-CB 4.01Å; W132-L182 HydrophobicContact CH2-CD1 3.91Å; W132-L182 HydrophobicContact CZ2-CB 4.25Å; W132-L182 HydrophobicContact CZ2-CD1 3.34Å; W132-L182 HydrophobicContact CZ2-CG 4.42Å; A178-L182 PolarHBondContact O-N 2.77Å; E179-L182 PolarHBondContact O-N 3.34Å; T180-L182 VanDerWaalsContact C-N 3.29Å; T180-L182 PolarHBondContact O-N 2.93Å; L182-A186 WeakPolarHBondContact O-CB 3.49Å; L182-A186 PolarHBondContact O-N 3.27Å; L182-A186 VanDerWaalsContact O-N 3.09Å; L182-K350 VanDerWaalsContact CD2-CE 3.45Å; L182-W360 HydrophobicContact CD1-CE3 4.16Å; L182-W360 HydrophobicContact CD2-CE3 3.96Å; L182-W360 HydrophobicContact CG-CE3 3.97Å; L182-W360 HydrophobicContact CG-CZ3 4.26Å; L182-L363 HydrophobicContact CD1-CD2 4.04Å |
| 183 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.8 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W132 L133 E179 T180 A186 L187 L210 L212 | W132-A183 HydrophobicContact CB-CB 3.89Å; L133-A183 HydrophobicContact CD2-CB 4.47Å; E179-A183 PolarHBondContact O-N 3.02Å; T180-A183 PolarHBondContact O-N 2.96Å; A183-A186 PolarHBondContact O-N 2.9Å; A183-L187 PolarHBondContact O-N 2.91Å; A183-L210 HydrophobicContact CB-CD2 4.28Å; A183-L212 HydrophobicContact CB-CB 3.94Å; A183-L212 HydrophobicContact CB-CD2 4.45Å |
| 184 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 176.2 | -71.2 | 176.5 | 0 | 0 | 0 | 111.8 | T180 A186 L187 H188 L197 L212 D258 W259 L262 | T180-L184 HydrophobicContact CG2-CD1 4.35Å; T180-L184 HydrophobicContact CG2-CG 4.45Å; T180-L184 WeakPolarHBondContact O-CB 3.09Å; T180-L184 WeakPolarHBondContact O-CG 3.33Å; T180-L184 PolarHBondContact O-N 2.89Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.3Å; L184-L187 PolarHBondContact O-N 3.2Å; L184-H188 VanDerWaalsContact O-CB 3.3Å; L184-H188 WeakPolarHBondContact O-CB 3.49Å; L184-H188 PolarHBondContact O-CD2 3.41Å; L184-H188 PolarHBondContact O-N 2.89Å; L184-L197 HydrophobicContact CD1-CD2 3.84Å; L184-L197 HydrophobicContact CD2-CD1 4.41Å; L184-L197 HydrophobicContact CD2-CD2 4.19Å; L184-L197 HydrophobicContact CG-CD2 4.44Å; L184-L212 HydrophobicContact CD2-CD2 4.17Å; L184-D258 HydrophobicContact CD1-CB 4.29Å; L184-D258 HydrophobicContact CD2-CB 3.8Å; L184-W259 HydrophobicContact CB-CH2 3.69Å; L184-W259 HydrophobicContact CB-CZ2 4.41Å; L184-W259 HydrophobicContact CB-CZ3 3.82Å; L184-W259 HydrophobicContact CD1-CD2 4.49Å; L184-W259 HydrophobicContact CD1-CE3 3.65Å; L184-W259 HydrophobicContact CD1-CH2 4.2Å; L184-W259 HydrophobicContact CD1-CZ3 3.48Å; L184-W259 VanDerWaalsContact CD1-CZ3 3.48Å; L184-W259 HydrophobicContact CG-CZ3 4.31Å; L184-L262 HydrophobicContact CD1-CD2 4.5Å |
| 185 | E | 96.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 13.6 Ų | 13.6 | 13% | 0.131 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -53.9 | -48.8 | 173.1 | -178.7 | 177.3 | -119.8 | 0 | 0 | 111.7 | V181 L187 H188 E189 V343 A346 K350 | V181-E185 VanDerWaalsContact O-CB 3.29Å; V181-E185 WeakPolarHBondContact O-CB 3.37Å; V181-E185 PolarHBondContact O-N 3.29Å; E185-L187 PolarHBondContact O-N 2.9Å; E185-H188 PolarHBondContact O-N 2.83Å; E185-E189 VanDerWaalsContact O-CB 3.26Å; E185-E189 WeakPolarHBondContact O-CB 3.43Å; E185-E189 PolarHBondContact O-N 2.95Å; E185-V343 HydrophobicContact CG-CG2 4.44Å; E185-A346 HydrophobicContact CB-CB 3.63Å; E185-A346 HydrophobicContact CG-CB 3.6Å; E185-A346 WeakPolarHBondContact OE1-CB 3.3Å; E185-K350 IonicContact OE1-NZ 3.04Å; E185-K350 PolarHBondContact OE1-NZ 3.42Å; E185-K350 WeakPolarHBondContact OE2-CE 3.48Å; E185-K350 IonicContact OE2-NZ 2.63Å; E185-K350 PolarHBondContact OE2-NZ 3.47Å |
| 186 | A | 95.5 | Very high | 96 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 12% | 0.124 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S130 L133 L182 A183 L184 L190 | S130-A186 WeakPolarHBondContact OG-CB 3.37Å; L133-A186 HydrophobicContact CD1-CB 4.24Å; L133-A186 HydrophobicContact CG-CB 4.37Å; L182-A186 WeakPolarHBondContact O-CB 3.49Å; L182-A186 PolarHBondContact O-N 3.27Å; L182-A186 VanDerWaalsContact O-N 3.09Å; A183-A186 PolarHBondContact O-N 2.9Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.3Å; A186-L190 VanDerWaalsContact O-CG 3.31Å; A186-L190 WeakPolarHBondContact O-CG 3.37Å; A186-L190 PolarHBondContact O-N 3.42Å |
| 187 | L | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.8 | -43.7 | 176.8 | -176.2 | 68.5 | 0 | 0 | 0 | 112.1 | V124 L133 A183 L184 E185 L190 G191 F192 H194 L212 F215 | V124-L187 HydrophobicContact CB-CD1 4.44Å; V124-L187 HydrophobicContact CG1-CD1 3.61Å; V124-L187 HydrophobicContact CG2-CD1 3.88Å; L133-L187 HydrophobicContact CD2-CB 4.36Å; A183-L187 PolarHBondContact O-N 2.91Å; L184-L187 PolarHBondContact O-N 3.2Å; E185-L187 PolarHBondContact O-N 2.9Å; L187-L190 PolarHBondContact O-N 2.92Å; L187-G191 PolarHBondContact O-N 2.88Å; L187-F192 HydrophobicContact CD1-CB 3.87Å; L187-F192 HydrophobicContact CG-CB 4.16Å; L187-F192 PolarHBondContact O-N 2.87Å; L187-H194 HydrophobicContact CD2-CB 3.65Å; L187-L212 HydrophobicContact CD2-CD2 4.09Å; L187-F215 HydrophobicContact CD1-CD1 4.14Å; L187-F215 HydrophobicContact CD1-CE1 4.16Å |
| 188 | H | 95.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 15 Ų | 15 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.9 | -35.5 | -179.2 | -61.1 | 172.1 | 0 | 0 | 0 | 111.2 | L184 E185 L190 G191 F192 D258 W259 A342 | L184-H188 VanDerWaalsContact O-CB 3.3Å; L184-H188 WeakPolarHBondContact O-CB 3.49Å; L184-H188 PolarHBondContact O-CD2 3.41Å; L184-H188 PolarHBondContact O-N 2.89Å; E185-H188 PolarHBondContact O-N 2.83Å; H188-L190 VanDerWaalsContact C-N 3.35Å; H188-G191 WeakPolarHBondContact O-CA 3.44Å; H188-G191 PolarHBondContact O-N 3.3Å; H188-F192 PolarHBondContact CD2-O 3.09Å; H188-F192 VanDerWaalsContact CD2-O 3.29Å; H188-D258 IonicContact CD2-OD2 3.16Å; H188-D258 IonicContact CE1-OD2 3.77Å; H188-D258 IonicContact NE2-OD2 3.55Å; H188-D258 PolarHBondContact NE2-OD2 3.02Å; H188-W259 AromaticContact CE1-CE2 3.96Å; H188-W259 AromaticContact CE1-CZ2 3.97Å; H188-W259 AromaticContact ND1-CZ2 3.73Å; H188-A342 HydrophobicContact CB-CB 3.62Å; H188-A342 WeakPolarHBondContact O-CB 3.18Å |
| 189 | E | 93.2 | Very high | 95.7 | Very high | 113 Ų | 113 | 15 Ų | 15 | 53% | 0.528 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 171.9 | 173.3 | 155.9 | -113.8 | 0 | 0 | 112.5 | E185 G191 N340 V343 | E185-E189 VanDerWaalsContact O-CB 3.26Å; E185-E189 WeakPolarHBondContact O-CB 3.43Å; E185-E189 PolarHBondContact O-N 2.95Å; E189-G191 PolarHBondContact O-N 3.27Å; E189-N340 WeakPolarHBondContact CG-ND2 3.4Å; E189-N340 PolarHBondContact OE1-ND2 3.39Å; E189-V343 HydrophobicContact CB-CG2 4.28Å; E189-V343 HydrophobicContact CG-CG2 4.46Å; E189-V343 WeakPolarHBondContact OE1-CG2 3.38Å |
| 190 | L | 91.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 18.4 Ų | 18.4 | 28% | 0.277 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -6 | 170.5 | -71.2 | 176.7 | 0 | 0 | 0 | 113.6 | K127 L133 A186 L187 H188 F192 | K127-L190 HydrophobicContact CB-CD1 3.93Å; K127-L190 HydrophobicContact CB-CD2 3.91Å; L133-L190 HydrophobicContact CD1-CD1 4.04Å; A186-L190 VanDerWaalsContact O-CG 3.31Å; A186-L190 WeakPolarHBondContact O-CG 3.37Å; A186-L190 PolarHBondContact O-N 3.42Å; L187-L190 PolarHBondContact O-N 2.92Å; H188-L190 VanDerWaalsContact C-N 3.35Å; L190-F192 HydrophobicContact CB-CD2 3.96Å; L190-F192 HydrophobicContact CB-CE2 4.4Å; L190-F192 VanDerWaalsContact O-CD2 3.31Å; L190-F192 WeakPolarHBondContact O-CD2 3.31Å; L190-F192 WeakPolarHBondContact O-CE2 3.49Å |
| 191 | G | 92.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 19 Ų | 19 | 18% | 0.175 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 30.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L187 H188 E189 R220 V221 | L187-G191 PolarHBondContact O-N 2.88Å; H188-G191 WeakPolarHBondContact O-CA 3.44Å; H188-G191 PolarHBondContact O-N 3.3Å; E189-G191 PolarHBondContact O-N 3.27Å; G191-R220 WeakPolarHBondContact O-CA 3.43Å; G191-R220 WeakPolarHBondContact O-CG 3.1Å; G191-V221 PolarHBondContact O-N 3.35Å |
| 192 | F | 94.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 156.7 | 177.6 | -65 | -92.8 | 0 | 0 | 0 | 112.3 | E120 D123 V124 K127 L187 H188 L190 C218 V219 R220 | E120-F192 HydrophobicContact CB-CD1 4.34Å; E120-F192 HydrophobicContact CB-CE1 4.02Å; E120-F192 HydrophobicContact CG-CD1 4.38Å; E120-F192 HydrophobicContact CG-CE1 3.96Å; D123-F192 HydrophobicContact CB-CZ 4.26Å; V124-F192 HydrophobicContact CG2-CB 4.13Å; V124-F192 HydrophobicContact CG2-CD1 3.83Å; V124-F192 HydrophobicContact CG2-CD2 3.67Å; V124-F192 HydrophobicContact CG2-CE1 4.1Å; V124-F192 HydrophobicContact CG2-CE2 3.95Å; V124-F192 HydrophobicContact CG2-CG 3.6Å; V124-F192 HydrophobicContact CG2-CZ 4.16Å; K127-F192 HydrophobicContact CD-CE2 4.5Å; L187-F192 HydrophobicContact CD1-CB 3.87Å; L187-F192 HydrophobicContact CG-CB 4.16Å; L187-F192 PolarHBondContact O-N 2.87Å; H188-F192 PolarHBondContact CD2-O 3.09Å; H188-F192 VanDerWaalsContact CD2-O 3.29Å; L190-F192 HydrophobicContact CB-CD2 3.96Å; L190-F192 HydrophobicContact CB-CE2 4.4Å; L190-F192 VanDerWaalsContact O-CD2 3.31Å; L190-F192 WeakPolarHBondContact O-CD2 3.31Å; L190-F192 WeakPolarHBondContact O-CE2 3.49Å; F192-C218 HydrophobicContact CD1-CB 4.42Å; F192-V219 CarbonylContact C-O 3.56Å; F192-V219 VanDerWaalsContact CA-O 3.25Å; F192-V219 WeakPolarHBondContact CA-O 3.46Å; F192-R220 HydrophobicContact CD1-CB 4.09Å; F192-R220 HydrophobicContact CD1-CG 4.39Å; F192-R220 HydrophobicContact CE1-CB 3.84Å; F192-R220 HydrophobicContact CE1-CG 4.05Å; F192-R220 HydrophobicContact CZ-CB 4.45Å; F192-R220 HydrophobicContact CZ-CG 4.18Å |
| 193 | I | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.5 | 170.1 | -57.6 | 168.6 | 0 | 0 | 0 | 107.8 | R195 C218 V219 V221 P255 C257 D258 | I193-R195 HydrophobicContact CB-CG 4.32Å; I193-R195 HydrophobicContact CG2-CG 3.73Å; I193-C218 VanDerWaalsContact O-CA 3.24Å; I193-C218 WeakPolarHBondContact O-CA 3.41Å; I193-C218 PolarHBondContact O-SG 3.11Å; I193-V219 HydrophobicContact CB-CG2 4.12Å; I193-V219 PolarHBondContact N-O 2.91Å; I193-V219 PolarHBondContact O-N 3.38Å; I193-V221 HydrophobicContact CD1-CG1 3.52Å; I193-V221 HydrophobicContact CG1-CG1 3.63Å; I193-P255 HydrophobicContact CG1-CG 4.17Å; I193-C257 WeakPolarHBondContact CG2-SG 3.49Å; I193-D258 WeakPolarHBondContact CG2-OD2 3.45Å |
| 194 | H | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -76.3 | -47.7 | -176.8 | -156.3 | -101.1 | 0 | 0 | 0 | 113.5 | L187 D196 L197 A213 F215 S217 D258 | L187-H194 HydrophobicContact CD2-CB 3.65Å; H194-D196 PolarHBondContact CE1-O 2.85Å; H194-D196 PolarHBondContact ND1-O 3.46Å; H194-D196 PolarHBondContact O-N 2.74Å; H194-L197 PolarHBondContact ND1-N 2.88Å; H194-A213 PolarHBondContact NE2-O 3Å; H194-F215 AromaticContact CD2-CD1 3.68Å; H194-F215 AromaticContact NE2-CD1 3.63Å; H194-F215 AromaticContact NE2-CE1 4Å; H194-S217 CarbonylContact O-C 3.58Å; H194-D258 WeakPolarHBondContact CB-OD1 3.47Å; H194-D258 PolarHBondContact N-OD1 2.62Å; H194-D258 PolarHBondContact N-OD2 2.97Å | ||
| 195 | R | 93.2 | Very high | 95.1 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 64.3 | -21.5 | -178.6 | -49.2 | -168.2 | -63.8 | 162.7 | 0.8 | 117.1 | I193 S217 V219 M243 I253 D258 | I193-R195 HydrophobicContact CB-CG 4.32Å; I193-R195 HydrophobicContact CG2-CG 3.73Å; R195-S217 VanDerWaalsContact CZ-O 3.23Å; R195-S217 PolarHBondContact NE-O 3.47Å; R195-S217 PolarHBondContact NH2-O 3.09Å; R195-V219 HydrophobicContact CG-CG2 4.3Å; R195-M243 HydrophobicContact CB-CE 3.8Å; R195-M243 HydrophobicContact CG-CE 3.67Å; R195-I253 HydrophobicContact CG-CD1 4.37Å; R195-D258 PolarHBondContact N-OD1 2.86Å |
| 196 | D | 94 | Very high | 94.9 | Very high | 16 Ų | 16 | 23.4 Ų | 23.4 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | trans | -126.7 | 50 | 174.9 | -166.5 | 41.5 | 0 | 0 | 0 | 111.5 | H194 K198 N201 T235 | H194-D196 PolarHBondContact CE1-O 2.85Å; H194-D196 PolarHBondContact ND1-O 3.46Å; H194-D196 PolarHBondContact O-N 2.74Å; D196-K198 IonicContact OD1-NZ 2.68Å; D196-K198 IonicContact OD2-NZ 3.5Å; D196-K198 PolarHBondContact OD2-NZ 3.34Å; D196-N201 PolarHBondContact O-ND2 3.4Å; D196-T235 VanDerWaalsContact OD1-CB 3.29Å; D196-T235 WeakPolarHBondContact OD1-CB 3.21Å; D196-T235 PolarHBondContact OD1-N 3.47Å; D196-T235 PolarHBondContact OD1-OG1 3.14Å | ||
| 197 | L | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -75.8 | 126 | 174.2 | -179 | 73.4 | 0 | 0 | 0 | 109.8 | T180 L184 H194 L212 D258 A261 L262 I265 | T180-L197 HydrophobicContact CG2-CD1 4.3Å; T180-L197 HydrophobicContact CG2-CD2 4.45Å; L184-L197 HydrophobicContact CD1-CD2 3.84Å; L184-L197 HydrophobicContact CD2-CD1 4.41Å; L184-L197 HydrophobicContact CD2-CD2 4.19Å; L184-L197 HydrophobicContact CG-CD2 4.44Å; H194-L197 PolarHBondContact ND1-N 2.88Å; L197-L212 HydrophobicContact CD1-CD1 3.46Å; L197-L212 VanDerWaalsContact CD1-CD1 3.46Å; L197-L212 HydrophobicContact CD1-CD2 4.43Å; L197-D258 WeakPolarHBondContact CD2-O 3.32Å; L197-A261 HydrophobicContact CB-CB 3.86Å; L197-A261 HydrophobicContact CD2-CB 4.04Å; L197-A261 HydrophobicContact CG-CB 4.32Å; L197-L262 HydrophobicContact CD2-CB 4.27Å; L197-I265 HydrophobicContact CD2-CD1 4.04Å; L197-I265 HydrophobicContact CG-CD1 3.76Å | ||
| 198 | K | 95.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -166.8 | 163.6 | -176.3 | 64.6 | -167.2 | -171.5 | -151 | 0 | 110.6 | D196 D200 N201 M202 T235 Y238 | D196-K198 IonicContact OD1-NZ 2.68Å; D196-K198 IonicContact OD2-NZ 3.5Å; D196-K198 PolarHBondContact OD2-NZ 3.34Å; K198-D200 VanDerWaalsContact C-N 3.27Å; K198-D200 HydrophobicContact CD-CB 4.39Å; K198-D200 WeakPolarHBondContact CD-OD2 3.47Å; K198-D200 WeakPolarHBondContact CE-OD2 3.44Å; K198-D200 HydrophobicContact CG-CB 4.13Å; K198-D200 VanDerWaalsContact CG-OD2 3.31Å; K198-D200 WeakPolarHBondContact CG-OD2 3.36Å; K198-D200 PolarHBondContact O-N 3.28Å; K198-N201 HydrophobicContact CG-CB 4.22Å; K198-N201 PolarHBondContact O-N 2.98Å; K198-M202 WeakPolarHBondContact O-CG 3.48Å; K198-T235 HydrophobicContact CD-CG2 4.3Å; K198-T235 VanDerWaalsContact CD-OG1 3.28Å; K198-T235 WeakPolarHBondContact CD-OG1 3.22Å; K198-T235 PolarHBondContact NZ-OG1 3.2Å; K198-Y238 HydrophobicContact CB-CD1 4.41Å; K198-Y238 HydrophobicContact CB-CD2 3.71Å; K198-Y238 HydrophobicContact CB-CE1 4.41Å; K198-Y238 HydrophobicContact CB-CE2 3.69Å; K198-Y238 HydrophobicContact CB-CG 4.08Å |
| 199 | P | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -60.5 | -27.8 | -176.5 | -24.2 | 36.4 | 0 | 0 | 0 | 115 | L158 Y159 N201 M202 Y238 I265 E268 | L158-P199 HydrophobicContact CB-CB 4.36Å; L158-P199 PolarHBondContact N-O 3.31Å; L158-P199 VanDerWaalsContact N-O 3.16Å; Y159-P199 PolarHBondContact N-O 3.23Å; P199-N201 VanDerWaalsContact C-N 3.25Å; P199-N201 PolarHBondContact O-N 3.19Å; P199-M202 PolarHBondContact O-N 2.91Å; P199-Y238 VanDerWaalsContact CD-OH 3.31Å; P199-Y238 WeakPolarHBondContact CD-OH 3.32Å; P199-Y238 HydrophobicContact CG-CE1 4.45Å; P199-I265 HydrophobicContact CG-CG1 4.36Å; P199-I265 HydrophobicContact CG-CG2 4.5Å; P199-E268 WeakPolarHBondContact CG-OE2 3.47Å |
| 200 | D | 93.1 | Very high | 95.2 | Very high | 71 Ų | 71 | 19.8 Ų | 19.8 | 38% | 0.38 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -60.8 | -35 | 173.9 | -40.6 | -120.6 | 0 | 0 | 0 | 112.4 | K198 M202 L203 | K198-D200 VanDerWaalsContact C-N 3.27Å; K198-D200 HydrophobicContact CD-CB 4.39Å; K198-D200 WeakPolarHBondContact CD-OD2 3.47Å; K198-D200 WeakPolarHBondContact CE-OD2 3.44Å; K198-D200 HydrophobicContact CG-CB 4.13Å; K198-D200 VanDerWaalsContact CG-OD2 3.31Å; K198-D200 WeakPolarHBondContact CG-OD2 3.36Å; K198-D200 PolarHBondContact O-N 3.28Å; D200-M202 VanDerWaalsContact C-N 3.3Å; D200-L203 WeakPolarHBondContact O-CD2 3.36Å |
| 201 | N | 95.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 18.2 Ų | 18.2 | 6% | 0.064 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -90.4 | 4.7 | -174.9 | -71.6 | -12.7 | 0 | 0 | 0 | 112.3 | D196 K198 P199 A213 | D196-N201 PolarHBondContact O-ND2 3.4Å; K198-N201 HydrophobicContact CG-CB 4.22Å; K198-N201 PolarHBondContact O-N 2.98Å; P199-N201 VanDerWaalsContact C-N 3.25Å; P199-N201 PolarHBondContact O-N 3.19Å; N201-A213 PolarHBondContact O-N 2.94Å |
| 202 | M | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 88.6 | -177.7 | -64.6 | 163 | 79.3 | 0 | 0 | 108.2 | L158 T180 K198 P199 D200 L210 I265 | L158-M202 HydrophobicContact CB-CB 3.88Å; L158-M202 WeakPolarHBondContact CB-O 3.21Å; L158-M202 HydrophobicContact CD2-CB 4.22Å; L158-M202 HydrophobicContact CD2-CE 3.66Å; L158-M202 HydrophobicContact CD2-SD 4.27Å; L158-M202 PolarHBondContact N-O 3.28Å; T180-M202 HydrophobicContact CG2-CE 3.91Å; T180-M202 WeakPolarHBondContact OG1-CE 3.42Å; K198-M202 WeakPolarHBondContact O-CG 3.48Å; P199-M202 PolarHBondContact O-N 2.91Å; D200-M202 VanDerWaalsContact C-N 3.3Å; M202-L210 HydrophobicContact CB-CD1 3.9Å; M202-L210 HydrophobicContact CB-CG 4.37Å; M202-L210 HydrophobicContact CE-CD1 3.69Å; M202-L210 HydrophobicContact CG-CD1 4.31Å; M202-I265 HydrophobicContact CE-CG2 4.17Å; M202-I265 HydrophobicContact SD-CD1 3.9Å; M202-I265 HydrophobicContact SD-CG2 4.26Å |
| 203 | L | 96.9 | Very high | 95.6 | Very high | 41 Ų | 41 | 17.6 Ų | 17.6 | 22% | 0.215 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 138.7 | -170.4 | -56.2 | -174.6 | 0 | 0 | 0 | 111.9 | V134 M153 G156 D157 D200 L210 K211 A213 | V134-L203 HydrophobicContact CG2-CD1 4.44Å; M153-L203 HydrophobicContact CB-CB 3.87Å; M153-L203 HydrophobicContact CB-CD1 4.11Å; M153-L203 HydrophobicContact CE-CB 4.06Å; M153-L203 WeakPolarHBondContact CE-O 3.2Å; M153-L203 HydrophobicContact CG-CB 3.87Å; M153-L203 HydrophobicContact CG-CD1 3.87Å; G156-L203 CarbonylContact O-C 3.58Å; G156-L203 WeakPolarHBondContact O-CA 3.31Å; D157-L203 HydrophobicContact CB-CD2 3.81Å; D200-L203 WeakPolarHBondContact O-CD2 3.36Å; L203-L210 CarbonylContact O-C 3.3Å; L203-L210 WeakPolarHBondContact O-CA 3.33Å; L203-K211 PolarHBondContact N-O 3.26Å; L203-K211 PolarHBondContact O-N 2.91Å; L203-A213 HydrophobicContact CD1-CB 3.59Å; L203-A213 HydrophobicContact CG-CB 3.79Å |
| 204 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.5 | 176.5 | -56.3 | -168.1 | 0 | 0 | 0 | 111.8 | G155 G156 L158 W161 Y176 H209 L210 P372 | G155-L204 WeakPolarHBondContact CA-O 3.35Å; G155-L204 PolarHBondContact N-O 2.74Å; G156-L204 PolarHBondContact O-N 3.48Å; L158-L204 HydrophobicContact CD1-CD1 4.43Å; L158-L204 HydrophobicContact CD1-CD2 4.43Å; W161-L204 HydrophobicContact CG-CD1 4.35Å; Y176-L204 HydrophobicContact CD1-CD2 4.18Å; Y176-L204 HydrophobicContact CE1-CD1 4.42Å; Y176-L204 HydrophobicContact CE1-CD2 3.62Å; L204-H209 WeakPolarHBondContact CA-O 3.24Å; L204-L210 HydrophobicContact CD2-CB 4.08Å; L204-P372 HydrophobicContact CB-CG 4.48Å |
| 205 | D | 94.5 | Very high | 95.3 | Very high | 26 Ų | 26 | 20.5 Ų | 20.5 | 14% | 0.139 | 13% | 0.125 | C | C | . | . | trans | -81.7 | -172.8 | 173.4 | 68.4 | 29.6 | 0 | 0 | 0 | 112.7 | M153 G207 G208 H209 R364 | M153-D205 HydrophobicContact CE-CB 3.84Å; D205-G207 PolarHBondContact O-N 3.19Å; D205-G207 WeakPolarHBondContact OD1-CA 3.35Å; D205-G207 PolarHBondContact OD1-N 3.19Å; D205-G208 PolarHBondContact O-N 2.97Å; D205-G208 VanDerWaalsContact O-N 3.17Å; D205-G208 PolarHBondContact OD1-N 3.18Å; D205-H209 PolarHBondContact N-O 3.45Å; D205-H209 PolarHBondContact OD1-N 3.03Å; D205-H209 VanDerWaalsContact OD1-N 3.15Å; D205-R364 IonicContact OD2-CZ 2.79Å; D205-R364 IonicContact OD2-NH2 3.95Å; D205-R364 PolarHBondContact OD2-NH2 3.29Å | ||
| 206 | A | 93.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 20 Ų | 20 | 54% | 0.537 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P154 | P154-A206 HydrophobicContact CG-CB 3.8Š|
| 207 | G | 94.2 | Very high | 94.9 | Very high | 40 Ų | 40 | 20.2 Ų | 20.2 | 41% | 0.412 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -15.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D205 | D205-G207 PolarHBondContact O-N 3.19Å; D205-G207 WeakPolarHBondContact OD1-CA 3.35Å; D205-G207 PolarHBondContact OD1-N 3.19Å |
| 208 | G | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 96.5 | 7.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y176 D205 A368 I370 P372 | Y176-G208 WeakPolarHBondContact CE1-O 3.39Å; Y176-G208 PolarHBondContact OH-O 3.47Å; D205-G208 PolarHBondContact O-N 2.97Å; D205-G208 VanDerWaalsContact O-N 3.17Å; D205-G208 PolarHBondContact OD1-N 3.18Å; G208-A368 VanDerWaalsContact C-CB 3.46Å; G208-A368 WeakPolarHBondContact O-CB 3.35Å; G208-I370 WeakPolarHBondContact CA-O 3.49Å; G208-P372 VanDerWaalsContact CA-CD 3.44Å |
| 209 | H | 97.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 19.1 Ų | 19.1 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | trans | -84.8 | 147 | 176.8 | -64.6 | -92.8 | 0 | 0 | 0 | 111.8 | F175 E179 L204 D205 E366 | F175-H209 AromaticContact CZ-CE1 3.92Å; F175-H209 AromaticContact CZ-ND1 3.71Å; E179-H209 IonicContact OE1-CE1 2.65Å; E179-H209 IonicContact OE1-CG 2.63Å; E179-H209 IonicContact OE1-ND1 2.8Å; E179-H209 PolarHBondContact OE1-ND1 2.91Å; L204-H209 WeakPolarHBondContact CA-O 3.24Å; D205-H209 PolarHBondContact N-O 3.45Å; D205-H209 PolarHBondContact OD1-N 3.03Å; D205-H209 VanDerWaalsContact OD1-N 3.15Å; H209-E366 PolarHBondContact CE1-O 2.98Å; H209-E366 PolarHBondContact NE2-O 3.34Å | ||
| 210 | L | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 145.7 | -176.4 | -177.4 | 151.5 | 0 | 0 | 0 | 112.9 | L158 Y176 E179 T180 A183 M202 L203 L204 R364 | L158-L210 HydrophobicContact CD2-CD1 4.31Å; Y176-L210 HydrophobicContact CD1-CB 4.15Å; Y176-L210 HydrophobicContact CD1-CD1 4.26Å; E179-L210 HydrophobicContact CB-CB 4.01Å; E179-L210 VanDerWaalsContact OE2-CB 3.31Å; E179-L210 WeakPolarHBondContact OE2-CB 3.45Å; E179-L210 PolarHBondContact OE2-N 3.16Å; T180-L210 WeakPolarHBondContact OG1-CD1 3.45Å; A183-L210 HydrophobicContact CB-CD2 4.28Å; M202-L210 HydrophobicContact CB-CD1 3.9Å; M202-L210 HydrophobicContact CB-CG 4.37Å; M202-L210 HydrophobicContact CE-CD1 3.69Å; M202-L210 HydrophobicContact CG-CD1 4.31Å; L203-L210 CarbonylContact O-C 3.3Å; L203-L210 WeakPolarHBondContact O-CA 3.33Å; L204-L210 HydrophobicContact CD2-CB 4.08Å; L210-R364 PolarHBondContact O-NH1 3.5Å |
| 211 | K | 97.2 | Very high | 94.3 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.8 | 157.6 | -58.9 | -167.8 | 179.6 | -160.8 | 0 | 110.6 | E131 W132 V134 E151 M153 L203 | E131-K211 WeakPolarHBondContact O-CE 3.41Å; E131-K211 WeakPolarHBondContact O-CG 3.33Å; W132-K211 VanDerWaalsContact O-CA 3.32Å; W132-K211 WeakPolarHBondContact O-CA 3.49Å; V134-K211 HydrophobicContact CG2-CB 3.84Å; V134-K211 HydrophobicContact CG2-CD 4.44Å; E151-K211 IonicContact OE1-NZ 2.81Å; E151-K211 PolarHBondContact OE1-NZ 2.92Å; E151-K211 IonicContact OE2-NZ 2.59Å; E151-K211 PolarHBondContact OE2-NZ 3.13Å; M153-K211 HydrophobicContact CE-CB 3.8Å; M153-K211 HydrophobicContact CE-CD 3.87Å; M153-K211 HydrophobicContact CE-CG 3.74Å; M153-K211 HydrophobicContact SD-CD 4.11Å; L203-K211 PolarHBondContact N-O 3.26Å; L203-K211 PolarHBondContact O-N 2.91Å |
| 212 | L | 97.5 | Very high | 94 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 142.6 | 173.6 | -173.9 | 60.1 | 0 | 0 | 0 | 111.1 | W132 L133 V134 A183 L184 L187 L197 F215 | W132-L212 PolarHBondContact O-N 3.3Å; L133-L212 HydrophobicContact CD2-CB 4.03Å; L133-L212 HydrophobicContact CD2-CD2 4.35Å; V134-L212 WeakPolarHBondContact CG2-O 3.48Å; V134-L212 PolarHBondContact N-O 3.13Å; A183-L212 HydrophobicContact CB-CB 3.94Å; A183-L212 HydrophobicContact CB-CD2 4.45Å; L184-L212 HydrophobicContact CD2-CD2 4.17Å; L187-L212 HydrophobicContact CD2-CD2 4.09Å; L197-L212 HydrophobicContact CD1-CD1 3.46Å; L197-L212 VanDerWaalsContact CD1-CD1 3.46Å; L197-L212 HydrophobicContact CD1-CD2 4.43Å; L212-F215 HydrophobicContact CB-CE1 4.33Å; L212-F215 HydrophobicContact CB-CZ 4.48Å; L212-F215 HydrophobicContact CD2-CE1 4.15Å; L212-F215 HydrophobicContact CG-CE1 3.88Å; L212-F215 HydrophobicContact CG-CZ 4.48Å; L212-F215 WeakPolarHBondContact O-CZ 3.29Å |
| 213 | A | 94 | Very high | 93.5 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | trans | -142.7 | 175.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V134 H194 N201 L203 | V134-A213 HydrophobicContact CB-CB 4.35Å; V134-A213 HydrophobicContact CG2-CB 3.84Å; H194-A213 PolarHBondContact NE2-O 3Å; N201-A213 PolarHBondContact O-N 2.94Å; L203-A213 HydrophobicContact CD1-CB 3.59Å; L203-A213 HydrophobicContact CG-CB 3.79Å | ||
| 214 | D | 90.8 | Very high | 93 | Very high | 61 Ų | 61 | 36.8 Ų | 36.8 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | trans | 52.3 | 55.1 | -176.5 | -157.2 | 19.1 | 0 | 0 | 0 | 115.8 | K103 G216 | K103-D214 IonicContact NZ-OD1 2.68Å; K103-D214 PolarHBondContact NZ-OD1 3.19Å; D214-G216 PolarHBondContact O-N 3.43Å | ||
| 215 | F | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -64.1 | 11.7 | 174.4 | -48.9 | -65.7 | 0 | 0 | 0 | 114.8 | E121 V124 M125 L133 L187 H194 L212 S217 C218 | E121-F215 HydrophobicContact CB-CB 4.3Å; E121-F215 HydrophobicContact CG-CB 4.1Å; V124-F215 HydrophobicContact CB-CB 4.24Å; V124-F215 HydrophobicContact CB-CD2 4.14Å; V124-F215 HydrophobicContact CB-CG 4.05Å; V124-F215 HydrophobicContact CG1-CB 4.33Å; V124-F215 HydrophobicContact CG1-CD1 3.74Å; V124-F215 HydrophobicContact CG1-CD2 3.63Å; V124-F215 HydrophobicContact CG1-CE1 3.86Å; V124-F215 HydrophobicContact CG1-CE2 3.76Å; V124-F215 HydrophobicContact CG1-CG 3.62Å; V124-F215 HydrophobicContact CG1-CZ 3.87Å; M125-F215 HydrophobicContact CE-CD2 3.79Å; M125-F215 HydrophobicContact CE-CE2 4.34Å; M125-F215 HydrophobicContact CG-CD2 3.64Å; M125-F215 HydrophobicContact CG-CE2 3.94Å; L133-F215 HydrophobicContact CB-CZ 3.98Å; L133-F215 HydrophobicContact CD2-CE1 4.06Å; L133-F215 HydrophobicContact CD2-CZ 3.89Å; L133-F215 HydrophobicContact CG-CZ 4.4Å; L187-F215 HydrophobicContact CD1-CD1 4.14Å; L187-F215 HydrophobicContact CD1-CE1 4.16Å; H194-F215 AromaticContact CD2-CD1 3.68Å; H194-F215 AromaticContact NE2-CD1 3.63Å; H194-F215 AromaticContact NE2-CE1 4Å; L212-F215 HydrophobicContact CB-CE1 4.33Å; L212-F215 HydrophobicContact CB-CZ 4.48Å; L212-F215 HydrophobicContact CD2-CE1 4.15Å; L212-F215 HydrophobicContact CG-CE1 3.88Å; L212-F215 HydrophobicContact CG-CZ 4.48Å; L212-F215 WeakPolarHBondContact O-CZ 3.29Å; F215-S217 PolarHBondContact O-N 2.89Å; F215-C218 HydrophobicContact CB-CB 4.34Å; F215-C218 VanDerWaalsContact O-CB 3.23Å; F215-C218 WeakPolarHBondContact O-CB 3.29Å; F215-C218 PolarHBondContact O-N 3Å |
| 216 | G | 88.4 | Confident | 92.6 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -64.4 | -15.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G117 D214 | G117-G216 WeakPolarHBondContact CA-O 3.43Å; G117-G216 PolarHBondContact N-O 3.02Å; D214-G216 PolarHBondContact O-N 3.43Å |
| 217 | S | 89 | Confident | 92.5 | Very high | 19 Ų | 19 | 39 Ų | 39 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -93.8 | -5.4 | 171 | -68.8 | 0 | 0 | 0 | 0 | 113.8 | H194 R195 F215 | H194-S217 CarbonylContact O-C 3.58Å; R195-S217 VanDerWaalsContact CZ-O 3.23Å; R195-S217 PolarHBondContact NE-O 3.47Å; R195-S217 PolarHBondContact NH2-O 3.09Å; F215-S217 PolarHBondContact O-N 2.89Å |
| 218 | C | 93 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -64.7 | 153.9 | -174.9 | -78.4 | 0 | 0 | 0 | 0 | 113.6 | E120 F192 I193 F215 | E120-C218 HydrophobicContact CB-CB 4.09Å; F192-C218 HydrophobicContact CD1-CB 4.42Å; I193-C218 VanDerWaalsContact O-CA 3.24Å; I193-C218 WeakPolarHBondContact O-CA 3.41Å; I193-C218 PolarHBondContact O-SG 3.11Å; F215-C218 HydrophobicContact CB-CB 4.34Å; F215-C218 VanDerWaalsContact O-CB 3.23Å; F215-C218 WeakPolarHBondContact O-CB 3.29Å; F215-C218 PolarHBondContact O-N 3Å | ||
| 219 | V | 91.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.8 | 169.8 | -73.6 | 0 | 0 | 0 | 0 | 110.3 | F192 I193 R195 Y227 | F192-V219 CarbonylContact C-O 3.56Å; F192-V219 VanDerWaalsContact CA-O 3.25Å; F192-V219 WeakPolarHBondContact CA-O 3.46Å; I193-V219 HydrophobicContact CB-CG2 4.12Å; I193-V219 PolarHBondContact N-O 2.91Å; I193-V219 PolarHBondContact O-N 3.38Å; R195-V219 HydrophobicContact CG-CG2 4.3Å; V219-Y227 HydrophobicContact CB-CD1 4.19Å; V219-Y227 HydrophobicContact CB-CD2 3.7Å; V219-Y227 HydrophobicContact CB-CE1 4.26Å; V219-Y227 HydrophobicContact CB-CE2 3.78Å; V219-Y227 HydrophobicContact CB-CG 3.9Å; V219-Y227 HydrophobicContact CG1-CD1 4.23Å; V219-Y227 HydrophobicContact CG1-CD2 4.14Å; V219-Y227 HydrophobicContact CG1-CE1 3.81Å; V219-Y227 HydrophobicContact CG1-CE2 3.72Å; V219-Y227 HydrophobicContact CG1-CG 4.37Å; V219-Y227 HydrophobicContact CG2-CD1 3.87Å; V219-Y227 HydrophobicContact CG2-CD2 4.04Å; V219-Y227 HydrophobicContact CG2-CE1 4.31Å; V219-Y227 HydrophobicContact CG2-CE2 4.47Å; V219-Y227 HydrophobicContact CG2-CG 3.7Å |
| 220 | R | 92.2 | Very high | 90.6 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 59% | 0.585 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 136.1 | 172.8 | -157.5 | 178.6 | -168.5 | -153.8 | -2 | 110.5 | G191 F192 Y227 | G191-R220 WeakPolarHBondContact O-CA 3.43Å; G191-R220 WeakPolarHBondContact O-CG 3.1Å; F192-R220 HydrophobicContact CD1-CB 4.09Å; F192-R220 HydrophobicContact CD1-CG 4.39Å; F192-R220 HydrophobicContact CE1-CB 3.84Å; F192-R220 HydrophobicContact CE1-CG 4.05Å; F192-R220 HydrophobicContact CZ-CB 4.45Å; F192-R220 HydrophobicContact CZ-CG 4.18Å; R220-Y227 WeakPolarHBondContact O-CD2 3.36Å |
| 221 | V | 92.6 | Very high | 89.4 | Confident | 35 Ų | 35 | 47 Ų | 47 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | trans | -82.6 | 156.1 | 175.2 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | G191 I193 | G191-V221 PolarHBondContact O-N 3.35Å; I193-V221 HydrophobicContact CD1-CG1 3.52Å; I193-V221 HydrophobicContact CG1-CG1 3.63Å | ||
| 222 | G | 90 | Very high | 88.2 | Confident | 40 Ų | 40 | 48 Ų | 48 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | trans | -78.1 | 179.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D224 G225 Y226 | G222-D224 PolarHBondContact O-N 3.06Å; G222-D224 VanDerWaalsContact O-N 3.14Å; G222-G225 PolarHBondContact O-N 3Å; G222-Y226 PolarHBondContact N-O 3.34Å | ||
| 223 | E | 86.5 | Confident | 87.1 | Confident | 210 Ų | 210 | 50.4 Ų | 50.4 | 98% | 0.981 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.3 | -178.5 | -61.1 | 179 | 174.1 | 0 | 0 | 114.1 | G225 | E223-G225 VanDerWaalsContact C-N 3.31Š|
| 224 | D | 87.3 | Confident | 86.3 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.7 | 174.8 | 68.1 | -12.1 | 0 | 0 | 0 | 113.7 | G222 Y226 K252 R341 | G222-D224 PolarHBondContact O-N 3.06Å; G222-D224 VanDerWaalsContact O-N 3.14Å; D224-Y226 HydrophobicContact CB-CD2 4.47Å; D224-Y226 PolarHBondContact OD1-N 3.36Å; D224-K252 IonicContact OD2-NZ 2.64Å; D224-K252 PolarHBondContact OD2-NZ 3.22Å; D224-R341 PolarHBondContact O-NH1 3.41Å |
| 225 | G | 89.6 | Confident | 86 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 91.6 | 10 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | G222 E223 P255 | G222-G225 PolarHBondContact O-N 3Å; E223-G225 VanDerWaalsContact C-N 3.31Å; G225-P255 WeakPolarHBondContact O-CD 3.21Å |
| 226 | Y | 92.8 | Very high | 85.9 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | trans | -119.5 | 161.6 | -177.5 | -68.9 | -91.9 | 0 | 0 | 0 | 112.8 | G222 D224 K252 I253 F326 | G222-Y226 PolarHBondContact N-O 3.34Å; D224-Y226 HydrophobicContact CB-CD2 4.47Å; D224-Y226 PolarHBondContact OD1-N 3.36Å; Y226-K252 HydrophobicContact CD1-CB 4.18Å; Y226-K252 HydrophobicContact CG-CB 4.45Å; Y226-K252 HydrophobicContact CG-CD 4.41Å; Y226-I253 CarbonylContact C-O 3.52Å; Y226-I253 WeakPolarHBondContact CA-O 3.18Å; Y226-I253 WeakPolarHBondContact CD1-O 3.49Å; Y226-F326 HydrophobicContact CE2-CD2 4.4Å | ||
| 227 | Y | 90.7 | Very high | 86.2 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.7 | 171 | 173.7 | -95.1 | 0 | 0 | 0 | 110.3 | V219 R220 C229 K252 I253 | V219-Y227 HydrophobicContact CB-CD1 4.19Å; V219-Y227 HydrophobicContact CB-CD2 3.7Å; V219-Y227 HydrophobicContact CB-CE1 4.26Å; V219-Y227 HydrophobicContact CB-CE2 3.78Å; V219-Y227 HydrophobicContact CB-CG 3.9Å; V219-Y227 HydrophobicContact CG1-CD1 4.23Å; V219-Y227 HydrophobicContact CG1-CD2 4.14Å; V219-Y227 HydrophobicContact CG1-CE1 3.81Å; V219-Y227 HydrophobicContact CG1-CE2 3.72Å; V219-Y227 HydrophobicContact CG1-CG 4.37Å; V219-Y227 HydrophobicContact CG2-CD1 3.87Å; V219-Y227 HydrophobicContact CG2-CD2 4.04Å; V219-Y227 HydrophobicContact CG2-CE1 4.31Å; V219-Y227 HydrophobicContact CG2-CE2 4.47Å; V219-Y227 HydrophobicContact CG2-CG 3.7Å; R220-Y227 WeakPolarHBondContact O-CD2 3.36Å; Y227-C229 HydrophobicContact CD1-CB 4.13Å; Y227-C229 HydrophobicContact CE1-CB 4.2Å; Y227-C229 PolarHBondContact O-N 3.22Å; Y227-K252 WeakPolarHBondContact O-CA 3.4Å; Y227-I253 HydrophobicContact CD1-CD1 3.93Å; Y227-I253 HydrophobicContact CD1-CG1 4.01Å; Y227-I253 PolarHBondContact N-O 3.05Å; Y227-I253 PolarHBondContact O-N 2.99Å |
| 228 | Y | 89.1 | Confident | 86.6 | Confident | 111 Ų | 111 | 52.3 Ų | 52.3 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 98.6 | 178.7 | -167.7 | -92 | 0 | 0 | 0 | 111 | T230 A250 K252 | Y228-T230 HydrophobicContact CD1-CG2 4.05Å; Y228-T230 HydrophobicContact CE1-CG2 3.99Å; Y228-A250 HydrophobicContact CE1-CB 3.77Å; Y228-K252 HydrophobicContact CD2-CG 4.33Å |
| 229 | C | 83.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.7 | -174.6 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | Y227 S231 C246 A250 G251 I253 | Y227-C229 HydrophobicContact CD1-CB 4.13Å; Y227-C229 HydrophobicContact CE1-CB 4.2Å; Y227-C229 PolarHBondContact O-N 3.22Å; C229-S231 PolarHBondContact SG-O 3.08Å; C229-C246 HydrophobicContact CB-CB 4.21Å; C229-A250 VanDerWaalsContact O-CA 3.25Å; C229-A250 WeakPolarHBondContact O-CA 3.47Å; C229-A250 WeakPolarHBondContact O-CB 3.46Å; C229-G251 PolarHBondContact N-O 2.8Å; C229-G251 PolarHBondContact O-N 2.74Å; C229-I253 HydrophobicContact CB-CD1 3.87Å; C229-I253 HydrophobicContact CB-CG1 3.94Å; C229-I253 HydrophobicContact CB-CG2 3.97Å |
| 230 | T | 76.6 | Confident | 86.8 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -110.5 | -7.8 | 179.7 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | Y228 A250 | Y228-T230 HydrophobicContact CD1-CG2 4.05Å; Y228-T230 HydrophobicContact CE1-CG2 3.99Å; T230-A250 HydrophobicContact CG2-CB 4.04Å |
| 231 | S | 72.6 | Confident | 86.8 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -156.4 | 132.9 | 178.7 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | C229 I233 | C229-S231 PolarHBondContact SG-O 3.08Å; S231-I233 PolarHBondContact O-N 2.82Å |
| 232 | P | 71.9 | Confident | 86.8 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | trans | -64.2 | 133.9 | 176 | 30.3 | -37.7 | 0 | 0 | 0 | 110.5 | I239 Q247 | P232-I239 HydrophobicContact CB-CD1 4.07Å; P232-Q247 HydrophobicContact CG-CB 3.82Å; P232-Q247 HydrophobicContact CG-CG 3.91Å | ||
| 233 | I | 74.8 | Confident | 86.8 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 26% | 0.256 | 23% | 0.229 | S | C | . | . | trans | -135.1 | 136.6 | 171.7 | -63 | 176.6 | 0 | 0 | 0 | 106.2 | S231 | S231-I233 PolarHBondContact O-N 2.82Š| ||
| 234 | G | 75.2 | Confident | 87 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 25% | 0.247 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 140.2 | 158.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 235 | T | 86.5 | Confident | 86.9 | Confident | 35 Ų | 35 | 34.5 Ų | 34.5 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | trans | -72.9 | 132.4 | -179.8 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | D196 K198 D237 Y238 I239 | D196-T235 VanDerWaalsContact OD1-CB 3.29Å; D196-T235 WeakPolarHBondContact OD1-CB 3.21Å; D196-T235 PolarHBondContact OD1-N 3.47Å; D196-T235 PolarHBondContact OD1-OG1 3.14Å; K198-T235 HydrophobicContact CD-CG2 4.3Å; K198-T235 VanDerWaalsContact CD-OG1 3.28Å; K198-T235 WeakPolarHBondContact CD-OG1 3.22Å; K198-T235 PolarHBondContact NZ-OG1 3.2Å; T235-D237 VanDerWaalsContact C-N 3.27Å; T235-D237 PolarHBondContact O-N 3.09Å; T235-Y238 HydrophobicContact CG2-CD2 3.83Å; T235-Y238 HydrophobicContact CG2-CE2 4.09Å; T235-Y238 PolarHBondContact O-N 3.41Å; T235-I239 PolarHBondContact O-N 3.44Å; T235-I239 VanDerWaalsContact O-N 3.16Å | ||
| 236 | P | 90.2 | Very high | 86.5 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.7 | -164.7 | -33.3 | 38.4 | 0 | 0 | 0 | 118.6 | I239 L281 T284 Y285 I288 | P236-I239 VanDerWaalsContact O-CG2 3.27Å; P236-I239 WeakPolarHBondContact O-CG2 3.44Å; P236-L281 HydrophobicContact CB-CD2 3.6Å; P236-L281 HydrophobicContact CG-CD2 3.55Å; P236-T284 VanDerWaalsContact O-CG2 3.3Å; P236-T284 WeakPolarHBondContact O-CG2 3.4Å; P236-Y285 HydrophobicContact CB-CE1 3.85Å; P236-I288 WeakPolarHBondContact O-CD1 3.21Å |
| 237 | D | 94 | Very high | 85.6 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -23 | -174.9 | -54.5 | -87.3 | 0 | 0 | 0 | 112.6 | T235 P274 T284 | T235-D237 VanDerWaalsContact C-N 3.27Å; T235-D237 PolarHBondContact O-N 3.09Å; D237-P274 HydrophobicContact CB-CB 3.92Å; D237-P274 HydrophobicContact CB-CG 4.22Å; D237-T284 HydrophobicContact CB-CG2 4.41Å; D237-T284 VanDerWaalsContact OD1-CG2 3.27Å; D237-T284 WeakPolarHBondContact OD1-CG2 3.23Å |
| 238 | Y | 96.5 | Very high | 84.6 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -14 | 178.9 | -52.5 | -83.8 | 0 | 0 | 0 | 113.5 | K198 P199 T235 W260 V264 I265 E268 | K198-Y238 HydrophobicContact CB-CD1 4.41Å; K198-Y238 HydrophobicContact CB-CD2 3.71Å; K198-Y238 HydrophobicContact CB-CE1 4.41Å; K198-Y238 HydrophobicContact CB-CE2 3.69Å; K198-Y238 HydrophobicContact CB-CG 4.08Å; P199-Y238 VanDerWaalsContact CD-OH 3.31Å; P199-Y238 WeakPolarHBondContact CD-OH 3.32Å; P199-Y238 HydrophobicContact CG-CE1 4.45Å; T235-Y238 HydrophobicContact CG2-CD2 3.83Å; T235-Y238 HydrophobicContact CG2-CE2 4.09Å; T235-Y238 PolarHBondContact O-N 3.41Å; Y238-W260 VanDerWaalsContact O-CD1 3.27Å; Y238-V264 HydrophobicContact CD1-CB 4.03Å; Y238-V264 HydrophobicContact CD1-CG1 3.68Å; Y238-V264 HydrophobicContact CE1-CG1 4.05Å; Y238-V264 HydrophobicContact CG-CG1 4.48Å; Y238-I265 HydrophobicContact CD1-CG1 3.84Å; Y238-I265 HydrophobicContact CE1-CG1 3.8Å; Y238-E268 VanDerWaalsContact CE1-OE2 3.23Å; Y238-E268 WeakPolarHBondContact CE1-OE2 3.47Å; Y238-E268 VanDerWaalsContact OH-CD 3.23Å; Y238-E268 PolarHBondContact OH-OE1 3.01Å; Y238-E268 VanDerWaalsContact OH-OE1 3.05Å; Y238-E268 PolarHBondContact OH-OE2 3.47Å |
| 239 | I | 94.1 | Very high | 83.9 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | trans | -62.8 | 141.8 | -178.1 | -166.6 | 166.2 | 0 | 0 | 0 | 112.2 | P232 T235 P236 M243 L244 W260 Y285 I288 | P232-I239 HydrophobicContact CB-CD1 4.07Å; T235-I239 PolarHBondContact O-N 3.44Å; T235-I239 VanDerWaalsContact O-N 3.16Å; P236-I239 VanDerWaalsContact O-CG2 3.27Å; P236-I239 WeakPolarHBondContact O-CG2 3.44Å; I239-M243 HydrophobicContact CD1-CB 4.23Å; I239-M243 HydrophobicContact CD1-CG 3.74Å; I239-M243 HydrophobicContact CG1-CB 3.73Å; I239-M243 HydrophobicContact CG1-CG 3.67Å; I239-L244 HydrophobicContact CD1-CD2 3.89Å; I239-L244 HydrophobicContact CD1-CG 4.26Å; I239-L244 HydrophobicContact CG1-CD2 4.35Å; I239-L244 HydrophobicContact CG1-CG 4.22Å; I239-L244 HydrophobicContact CG2-CD1 4.03Å; I239-L244 HydrophobicContact CG2-CD2 3.84Å; I239-L244 HydrophobicContact CG2-CG 3.83Å; I239-W260 PolarHBondContact O-NE1 3.5Å; I239-W260 VanDerWaalsContact O-NE1 3.11Å; I239-Y285 HydrophobicContact CG2-CE1 4.27Å; I239-I288 HydrophobicContact CG2-CD1 3.89Å | ||
| 240 | S | 94.8 | Very high | 83.8 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -87.3 | 158 | -175.7 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | E242 M243 L244 C257 W260 | S240-E242 VanDerWaalsContact C-N 3.3Å; S240-E242 WeakPolarHBondContact CB-OE1 3.17Å; S240-E242 PolarHBondContact O-N 2.98Å; S240-E242 PolarHBondContact OG-OE1 2.91Å; S240-M243 PolarHBondContact O-N 3.47Å; S240-M243 VanDerWaalsContact O-N 3.11Å; S240-M243 WeakPolarHBondContact OG-CB 3.3Å; S240-M243 PolarHBondContact OG-N 3.18Å; S240-L244 PolarHBondContact O-N 3.31Å; S240-C257 VanDerWaalsContact OG-CB 3.26Å; S240-C257 WeakPolarHBondContact OG-CB 3.48Å; S240-W260 VanDerWaalsContact CA-CD1 3.46Å | ||
| 241 | P | 93.5 | Very high | 84.1 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.1 | -38.2 | -179.9 | -23.1 | 32.4 | 0 | 0 | 0 | 113.2 | S245 W260 I288 | P241-S245 WeakPolarHBondContact O-CB 3.24Å; P241-S245 PolarHBondContact O-N 2.77Å; P241-S245 PolarHBondContact O-OG 2.91Å; P241-W260 HydrophobicContact CG-CE3 4.28Å; P241-W260 HydrophobicContact CG-CH2 3.68Å; P241-W260 HydrophobicContact CG-CZ2 3.96Å; P241-W260 HydrophobicContact CG-CZ3 3.85Å; P241-I288 HydrophobicContact CB-CG2 4.35Å; P241-I288 HydrophobicContact CG-CG2 3.8Å |
| 242 | E | 91.9 | Very high | 84.9 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -33.6 | 176 | 66.1 | -74.6 | 167.6 | 0 | 0 | 112.8 | S240 S245 C246 C257 R322 | S240-E242 VanDerWaalsContact C-N 3.3Å; S240-E242 WeakPolarHBondContact CB-OE1 3.17Å; S240-E242 PolarHBondContact O-N 2.98Å; S240-E242 PolarHBondContact OG-OE1 2.91Å; E242-S245 WeakPolarHBondContact O-CB 3.47Å; E242-S245 PolarHBondContact O-N 3.1Å; E242-C246 PolarHBondContact O-N 2.82Å; E242-C246 PolarHBondContact O-SG 3.35Å; E242-C257 WeakPolarHBondContact OE1-CA 3.48Å; E242-C257 WeakPolarHBondContact OE1-CB 3.48Å; E242-R322 IonicContact OE1-CZ 2.7Å; E242-R322 IonicContact OE1-NH1 3.41Å; E242-R322 PolarHBondContact OE1-NH1 3.26Å; E242-R322 IonicContact OE1-NH2 2.88Å; E242-R322 IonicContact OE2-CZ 3.33Å; E242-R322 IonicContact OE2-NH1 2.68Å; E242-R322 PolarHBondContact OE2-NH1 2.94Å; E242-R322 IonicContact OE2-NH2 3.17Å; E242-R322 PolarHBondContact OE2-NH2 3.04Å |
| 243 | M | 90.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -42.4 | 173.1 | -168.8 | 76.4 | 70.1 | 0 | 0 | 111.8 | R195 I239 S240 S245 C246 I253 C257 | R195-M243 HydrophobicContact CB-CE 3.8Å; R195-M243 HydrophobicContact CG-CE 3.67Å; I239-M243 HydrophobicContact CD1-CB 4.23Å; I239-M243 HydrophobicContact CD1-CG 3.74Å; I239-M243 HydrophobicContact CG1-CB 3.73Å; I239-M243 HydrophobicContact CG1-CG 3.67Å; S240-M243 PolarHBondContact O-N 3.47Å; S240-M243 VanDerWaalsContact O-N 3.11Å; S240-M243 WeakPolarHBondContact OG-CB 3.3Å; S240-M243 PolarHBondContact OG-N 3.18Å; M243-S245 VanDerWaalsContact C-N 3.28Å; M243-S245 PolarHBondContact O-N 2.64Å; M243-C246 WeakPolarHBondContact O-CB 3.39Å; M243-C246 PolarHBondContact O-N 3.1Å; M243-I253 HydrophobicContact CE-CD1 3.62Å; M243-I253 HydrophobicContact SD-CD1 3.78Å; M243-I253 HydrophobicContact SD-CG2 4.26Å; M243-C257 HydrophobicContact CE-CB 4.17Å |
| 244 | L | 89.4 | Confident | 86.6 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 173.1 | -75.2 | 175.9 | 0 | 0 | 0 | 112.2 | I239 S240 C246 Q247 Y285 I288 L289 | I239-L244 HydrophobicContact CD1-CD2 3.89Å; I239-L244 HydrophobicContact CD1-CG 4.26Å; I239-L244 HydrophobicContact CG1-CD2 4.35Å; I239-L244 HydrophobicContact CG1-CG 4.22Å; I239-L244 HydrophobicContact CG2-CD1 4.03Å; I239-L244 HydrophobicContact CG2-CD2 3.84Å; I239-L244 HydrophobicContact CG2-CG 3.83Å; S240-L244 PolarHBondContact O-N 3.31Å; L244-C246 PolarHBondContact O-N 3.37Å; L244-Q247 WeakPolarHBondContact O-CB 3.41Å; L244-Q247 PolarHBondContact O-N 3.24Å; L244-Y285 HydrophobicContact CD1-CD1 3.92Å; L244-Y285 HydrophobicContact CD1-CG 4.14Å; L244-Y285 HydrophobicContact CD2-CD1 3.59Å; L244-Y285 HydrophobicContact CD2-CD2 4.05Å; L244-Y285 HydrophobicContact CD2-CE1 3.62Å; L244-Y285 HydrophobicContact CD2-CE2 4.08Å; L244-Y285 HydrophobicContact CD2-CG 3.82Å; L244-Y285 HydrophobicContact CG-CD1 4.43Å; L244-I288 HydrophobicContact CD1-CB 3.86Å; L244-I288 HydrophobicContact CD1-CD1 4.11Å; L244-I288 HydrophobicContact CD1-CG2 3.61Å; L244-L289 HydrophobicContact CB-CD2 4.2Å; L244-L289 HydrophobicContact CD1-CG 4.38Å |
| 245 | S | 85.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 44% | 0.441 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.9 | -31.5 | 177 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | P241 E242 M243 Q247 A248 K249 | P241-S245 WeakPolarHBondContact O-CB 3.24Å; P241-S245 PolarHBondContact O-N 2.77Å; P241-S245 PolarHBondContact O-OG 2.91Å; E242-S245 WeakPolarHBondContact O-CB 3.47Å; E242-S245 PolarHBondContact O-N 3.1Å; M243-S245 VanDerWaalsContact C-N 3.28Å; M243-S245 PolarHBondContact O-N 2.64Å; S245-Q247 PolarHBondContact O-N 3.33Å; S245-Q247 VanDerWaalsContact O-N 3.14Å; S245-A248 PolarHBondContact O-N 3.39Å; S245-A248 VanDerWaalsContact O-N 3.07Å; S245-K249 PolarHBondContact O-N 3.45Å; S245-K249 VanDerWaalsContact O-N 3.16Å |
| 246 | C | 81.7 | Confident | 88 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.054 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.6 | 173.6 | -62 | 0 | 0 | 0 | 0 | 114.2 | C229 E242 M243 L244 A248 K249 | C229-C246 HydrophobicContact CB-CB 4.21Å; E242-C246 PolarHBondContact O-N 2.82Å; E242-C246 PolarHBondContact O-SG 3.35Å; M243-C246 WeakPolarHBondContact O-CB 3.39Å; M243-C246 PolarHBondContact O-N 3.1Å; L244-C246 PolarHBondContact O-N 3.37Å; C246-A248 VanDerWaalsContact C-N 3.34Å; C246-K249 WeakPolarHBondContact CA-O 3.44Å |
| 247 | Q | 73.8 | Confident | 88.2 | Confident | 122 Ų | 122 | 37.1 Ų | 37.1 | 57% | 0.57 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31.2 | 171.8 | -160.4 | 177.9 | 11.3 | 0 | 0 | 112.9 | P232 L244 S245 | P232-Q247 HydrophobicContact CG-CB 3.82Å; P232-Q247 HydrophobicContact CG-CG 3.91Å; L244-Q247 WeakPolarHBondContact O-CB 3.41Å; L244-Q247 PolarHBondContact O-N 3.24Å; S245-Q247 PolarHBondContact O-N 3.33Å; S245-Q247 VanDerWaalsContact O-N 3.14Å |
| 248 | A | 69 | Low | 88.4 | Confident | 99 Ų | 99 | 35.7 Ų | 35.7 | 82% | 0.818 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | -33.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S245 C246 | S245-A248 PolarHBondContact O-N 3.39Å; S245-A248 VanDerWaalsContact O-N 3.07Å; C246-A248 VanDerWaalsContact C-N 3.34Å |
| 249 | K | 75.8 | Confident | 88.5 | Confident | 171 Ų | 171 | 34.9 Ų | 34.9 | 74% | 0.743 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -153.2 | 123.9 | 180 | -178.4 | -175.9 | 174.6 | -175.8 | 0 | 110.3 | S245 C246 | S245-K249 PolarHBondContact O-N 3.45Å; S245-K249 VanDerWaalsContact O-N 3.16Å; C246-K249 WeakPolarHBondContact CA-O 3.44Å |
| 250 | A | 80 | Confident | 88.7 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | trans | -54.5 | 142.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y228 C229 T230 | Y228-A250 HydrophobicContact CE1-CB 3.77Å; C229-A250 VanDerWaalsContact O-CA 3.25Å; C229-A250 WeakPolarHBondContact O-CA 3.47Å; C229-A250 WeakPolarHBondContact O-CB 3.46Å; T230-A250 HydrophobicContact CG2-CB 4.04Å | ||
| 251 | G | 83.8 | Confident | 88.8 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 171.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C229 | C229-G251 PolarHBondContact N-O 2.8Å; C229-G251 PolarHBondContact O-N 2.74Å |
| 252 | K | 88.5 | Confident | 89.1 | Confident | 131 Ų | 131 | 34 Ų | 34 | 57% | 0.57 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 131.1 | 177.9 | -69.7 | -169 | 175.8 | -169.3 | 0 | 111 | D224 Y226 Y227 Y228 | D224-K252 IonicContact OD2-NZ 2.64Å; D224-K252 PolarHBondContact OD2-NZ 3.22Å; Y226-K252 HydrophobicContact CD1-CB 4.18Å; Y226-K252 HydrophobicContact CG-CB 4.45Å; Y226-K252 HydrophobicContact CG-CD 4.41Å; Y227-K252 WeakPolarHBondContact O-CA 3.4Å; Y228-K252 HydrophobicContact CD2-CG 4.33Å |
| 253 | I | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.4 | 166.2 | 60.9 | 170.9 | 0 | 0 | 0 | 109 | R195 Y226 Y227 C229 M243 | R195-I253 HydrophobicContact CG-CD1 4.37Å; Y226-I253 CarbonylContact C-O 3.52Å; Y226-I253 WeakPolarHBondContact CA-O 3.18Å; Y226-I253 WeakPolarHBondContact CD1-O 3.49Å; Y227-I253 HydrophobicContact CD1-CD1 3.93Å; Y227-I253 HydrophobicContact CD1-CG1 4.01Å; Y227-I253 PolarHBondContact N-O 3.05Å; Y227-I253 PolarHBondContact O-N 2.99Å; C229-I253 HydrophobicContact CB-CD1 3.87Å; C229-I253 HydrophobicContact CB-CG1 3.94Å; C229-I253 HydrophobicContact CB-CG2 3.97Å; M243-I253 HydrophobicContact CE-CD1 3.62Å; M243-I253 HydrophobicContact SD-CD1 3.78Å; M243-I253 HydrophobicContact SD-CG2 4.26Å |
| 254 | G | 92.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -130.6 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A256 C257 | G254-A256 PolarHBondContact O-N 3.1Å; G254-C257 PolarHBondContact O-N 3.42Å; G254-C257 VanDerWaalsContact O-N 3.14Å; G254-C257 PolarHBondContact O-SG 3.32Å | ||
| 255 | P | 95.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -21.1 | 178.5 | -29.2 | 37.5 | 0 | 0 | 0 | 115 | I193 G225 C257 D258 F326 | I193-P255 HydrophobicContact CG1-CG 4.17Å; G225-P255 WeakPolarHBondContact O-CD 3.21Å; P255-C257 PolarHBondContact O-N 2.76Å; P255-D258 PolarHBondContact O-N 3.32Å; P255-F326 HydrophobicContact CB-CZ 4.49Å; P255-F326 HydrophobicContact CG-CE1 4.48Å; P255-F326 HydrophobicContact CG-CE2 4.09Å; P255-F326 HydrophobicContact CG-CZ 3.76Å |
| 256 | A | 95.7 | Very high | 90.7 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -50.4 | -28.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G254 D258 W259 W260 R322 | G254-A256 PolarHBondContact O-N 3.1Å; A256-D258 VanDerWaalsContact C-N 3.35Å; A256-W259 PolarHBondContact O-N 2.88Å; A256-W260 PolarHBondContact O-N 2.92Å; A256-W260 VanDerWaalsContact O-N 3.12Å; A256-R322 VanDerWaalsContact C-NH1 3.31Å; A256-R322 WeakPolarHBondContact O-CD 3.4Å; A256-R322 PolarHBondContact O-NH1 2.77Å |
| 257 | C | 95.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.4 | -28.1 | 177.6 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | I193 S240 E242 M243 G254 P255 W260 A261 | I193-C257 WeakPolarHBondContact CG2-SG 3.49Å; S240-C257 VanDerWaalsContact OG-CB 3.26Å; S240-C257 WeakPolarHBondContact OG-CB 3.48Å; E242-C257 WeakPolarHBondContact OE1-CA 3.48Å; E242-C257 WeakPolarHBondContact OE1-CB 3.48Å; M243-C257 HydrophobicContact CE-CB 4.17Å; G254-C257 PolarHBondContact O-N 3.42Å; G254-C257 VanDerWaalsContact O-N 3.14Å; G254-C257 PolarHBondContact O-SG 3.32Å; P255-C257 PolarHBondContact O-N 2.76Å; C257-W260 WeakPolarHBondContact O-CB 3.31Å; C257-W260 PolarHBondContact O-N 3.18Å; C257-A261 PolarHBondContact O-N 2.99Å |
| 258 | D | 97.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.6 | -35.2 | 173.6 | -60.1 | -28.9 | 0 | 0 | 0 | 110.9 | L184 H188 I193 H194 R195 L197 P255 A256 W260 A261 L262 | L184-D258 HydrophobicContact CD1-CB 4.29Å; L184-D258 HydrophobicContact CD2-CB 3.8Å; H188-D258 IonicContact CD2-OD2 3.16Å; H188-D258 IonicContact CE1-OD2 3.77Å; H188-D258 IonicContact NE2-OD2 3.55Å; H188-D258 PolarHBondContact NE2-OD2 3.02Å; I193-D258 WeakPolarHBondContact CG2-OD2 3.45Å; H194-D258 WeakPolarHBondContact CB-OD1 3.47Å; H194-D258 PolarHBondContact N-OD1 2.62Å; H194-D258 PolarHBondContact N-OD2 2.97Å; R195-D258 PolarHBondContact N-OD1 2.86Å; L197-D258 WeakPolarHBondContact CD2-O 3.32Å; P255-D258 PolarHBondContact O-N 3.32Å; A256-D258 VanDerWaalsContact C-N 3.35Å; D258-W260 VanDerWaalsContact C-N 3.28Å; D258-W260 PolarHBondContact O-N 3.39Å; D258-A261 PolarHBondContact O-N 3.24Å; D258-L262 PolarHBondContact O-N 2.96Å |
| 259 | W | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -31.6 | 172.2 | -59.6 | 134.5 | 0 | 0 | 0 | 112.5 | V181 L184 H188 A256 L262 G263 L315 G324 A346 V349 | V181-W259 HydrophobicContact CB-CZ3 4.44Å; V181-W259 HydrophobicContact CG1-CH2 4.31Å; V181-W259 HydrophobicContact CG1-CZ3 4.38Å; V181-W259 HydrophobicContact CG2-CZ3 4.1Å; L184-W259 HydrophobicContact CB-CH2 3.69Å; L184-W259 HydrophobicContact CB-CZ2 4.41Å; L184-W259 HydrophobicContact CB-CZ3 3.82Å; L184-W259 HydrophobicContact CD1-CD2 4.49Å; L184-W259 HydrophobicContact CD1-CE3 3.65Å; L184-W259 HydrophobicContact CD1-CH2 4.2Å; L184-W259 HydrophobicContact CD1-CZ3 3.48Å; L184-W259 VanDerWaalsContact CD1-CZ3 3.48Å; L184-W259 HydrophobicContact CG-CZ3 4.31Å; H188-W259 AromaticContact CE1-CE2 3.96Å; H188-W259 AromaticContact CE1-CZ2 3.97Å; H188-W259 AromaticContact ND1-CZ2 3.73Å; A256-W259 PolarHBondContact O-N 2.88Å; W259-L262 HydrophobicContact CE3-CD2 3.79Å; W259-L262 HydrophobicContact CZ3-CD2 4Å; W259-G263 PolarHBondContact O-N 3.2Å; W259-G263 VanDerWaalsContact O-N 3.17Å; W259-L315 HydrophobicContact CB-CD2 4.05Å; W259-G324 PolarHBondContact NE1-O 3.3Å; W259-A346 HydrophobicContact CH2-CB 4.29Å; W259-A346 HydrophobicContact CZ2-CB 4.23Å; W259-V349 HydrophobicContact CD2-CG2 4.03Å; W259-V349 HydrophobicContact CE3-CG2 4.07Å; W259-V349 HydrophobicContact CH2-CG2 4.35Å; W259-V349 HydrophobicContact CZ2-CG2 4.28Å; W259-V349 HydrophobicContact CZ3-CG1 4.34Å; W259-V349 HydrophobicContact CZ3-CG2 4.22Å |
| 260 | W | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.1 | -48.6 | 170 | 170.8 | -84.4 | 0 | 0 | 0 | 111.8 | Y238 I239 S240 P241 A256 C257 D258 L262 G263 V264 F276 I288 H291 L316 | Y238-W260 VanDerWaalsContact O-CD1 3.27Å; I239-W260 PolarHBondContact O-NE1 3.5Å; I239-W260 VanDerWaalsContact O-NE1 3.11Å; S240-W260 VanDerWaalsContact CA-CD1 3.46Å; P241-W260 HydrophobicContact CG-CE3 4.28Å; P241-W260 HydrophobicContact CG-CH2 3.68Å; P241-W260 HydrophobicContact CG-CZ2 3.96Å; P241-W260 HydrophobicContact CG-CZ3 3.85Å; A256-W260 PolarHBondContact O-N 2.92Å; A256-W260 VanDerWaalsContact O-N 3.12Å; C257-W260 WeakPolarHBondContact O-CB 3.31Å; C257-W260 PolarHBondContact O-N 3.18Å; D258-W260 VanDerWaalsContact C-N 3.28Å; D258-W260 PolarHBondContact O-N 3.39Å; W260-L262 VanDerWaalsContact C-N 3.28Å; W260-L262 PolarHBondContact O-N 3.12Å; W260-G263 WeakPolarHBondContact O-CA 3.37Å; W260-G263 PolarHBondContact O-N 3.35Å; W260-V264 PolarHBondContact O-N 3.06Å; W260-F276 AromaticContact CH2-CE2 3.69Å; W260-F276 HydrophobicContact CH2-CE2 3.69Å; W260-F276 AromaticContact CH2-CZ 3.74Å; W260-F276 HydrophobicContact CH2-CZ 3.74Å; W260-F276 AromaticContact CZ2-CD2 3.89Å; W260-F276 HydrophobicContact CZ2-CD2 3.89Å; W260-F276 AromaticContact CZ2-CE2 3.26Å; W260-F276 HydrophobicContact CZ2-CE2 3.26Å; W260-F276 AromaticContact CZ2-CZ 3.81Å; W260-F276 HydrophobicContact CZ2-CZ 3.81Å; W260-I288 HydrophobicContact CZ2-CG2 3.9Å; W260-H291 HydrophobicContact CH2-CB 3.63Å; W260-H291 AromaticContact CH2-CG 3.66Å; W260-H291 HydrophobicContact CZ3-CB 4.4Å; W260-H291 AromaticContact CZ3-CD2 3.94Å; W260-L316 HydrophobicContact CD2-CD2 3.88Å; W260-L316 HydrophobicContact CE3-CD2 3.95Å; W260-L316 HydrophobicContact CG-CD2 4.46Å; W260-L316 HydrophobicContact CH2-CD2 4.26Å; W260-L316 HydrophobicContact CZ2-CD2 4.19Å; W260-L316 HydrophobicContact CZ3-CB 4.24Å; W260-L316 HydrophobicContact CZ3-CD2 4.15Å |
| 261 | A | 98 | Very high | 95.4 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 4% | 0.041 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L197 C257 D258 G263 V264 I265 | L197-A261 HydrophobicContact CB-CB 3.86Å; L197-A261 HydrophobicContact CD2-CB 4.04Å; L197-A261 HydrophobicContact CG-CB 4.32Å; C257-A261 PolarHBondContact O-N 2.99Å; D258-A261 PolarHBondContact O-N 3.24Å; A261-G263 VanDerWaalsContact C-N 3.26Å; A261-G263 PolarHBondContact O-N 3.12Å; A261-V264 PolarHBondContact O-N 3.23Å; A261-V264 VanDerWaalsContact O-N 3.13Å; A261-I265 WeakPolarHBondContact O-CD1 3.18Å; A261-I265 VanDerWaalsContact O-CG1 3.25Å; A261-I265 WeakPolarHBondContact O-CG1 3.45Å; A261-I265 PolarHBondContact O-N 3.18Å |
| 262 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.5 | -37.1 | 170.5 | -176 | 67.8 | 0 | 0 | 0 | 112.3 | L177 T180 V181 L184 L197 D258 W259 W260 A266 F311 L315 | L177-L262 HydrophobicContact CD2-CD1 3.55Å; L177-L262 HydrophobicContact CD2-CG 4.28Å; T180-L262 HydrophobicContact CG2-CD1 3.68Å; V181-L262 HydrophobicContact CG2-CD2 3.77Å; L184-L262 HydrophobicContact CD1-CD2 4.5Å; L197-L262 HydrophobicContact CD2-CB 4.27Å; D258-L262 PolarHBondContact O-N 2.96Å; W259-L262 HydrophobicContact CE3-CD2 3.79Å; W259-L262 HydrophobicContact CZ3-CD2 4Å; W260-L262 VanDerWaalsContact C-N 3.28Å; W260-L262 PolarHBondContact O-N 3.12Å; L262-A266 VanDerWaalsContact O-CB 3.3Å; L262-A266 WeakPolarHBondContact O-CB 3.45Å; L262-A266 PolarHBondContact O-N 2.96Å; L262-F311 HydrophobicContact CD2-CZ 4.42Å; L262-L315 HydrophobicContact CB-CD1 4.4Å; L262-L315 HydrophobicContact CD2-CD1 4.19Å; L262-L315 HydrophobicContact CG-CD1 4.13Å |
| 263 | G | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.4 | -35.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W259 W260 A261 Y267 | W259-G263 PolarHBondContact O-N 3.2Å; W259-G263 VanDerWaalsContact O-N 3.17Å; W260-G263 WeakPolarHBondContact O-CA 3.37Å; W260-G263 PolarHBondContact O-N 3.35Å; A261-G263 VanDerWaalsContact C-N 3.26Å; A261-G263 PolarHBondContact O-N 3.12Å; G263-Y267 PolarHBondContact O-N 3.49Å; G263-Y267 VanDerWaalsContact O-N 3.1Å |
| 264 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.1 | -44.1 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | Y238 W260 A261 A266 Y267 E268 P274 F276 L316 | Y238-V264 HydrophobicContact CD1-CB 4.03Å; Y238-V264 HydrophobicContact CD1-CG1 3.68Å; Y238-V264 HydrophobicContact CE1-CG1 4.05Å; Y238-V264 HydrophobicContact CG-CG1 4.48Å; W260-V264 PolarHBondContact O-N 3.06Å; A261-V264 PolarHBondContact O-N 3.23Å; A261-V264 VanDerWaalsContact O-N 3.13Å; V264-A266 VanDerWaalsContact C-N 3.35Å; V264-A266 PolarHBondContact O-N 3.02Å; V264-Y267 WeakPolarHBondContact O-CB 3.44Å; V264-Y267 PolarHBondContact O-N 3.03Å; V264-E268 WeakPolarHBondContact O-CB 3.35Å; V264-E268 PolarHBondContact O-N 3.31Å; V264-P274 HydrophobicContact CG1-CB 4.03Å; V264-F276 HydrophobicContact CG2-CD2 4.28Å; V264-F276 HydrophobicContact CG2-CE2 4.24Å; V264-L316 HydrophobicContact CG2-CD2 3.81Å |
| 265 | I | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.3 | -66.8 | 159.3 | 0 | 0 | 0 | 110.8 | L177 L197 P199 M202 Y238 A261 Y267 E268 M269 | L177-I265 HydrophobicContact CD2-CG2 4.49Å; L197-I265 HydrophobicContact CD2-CD1 4.04Å; L197-I265 HydrophobicContact CG-CD1 3.76Å; P199-I265 HydrophobicContact CG-CG1 4.36Å; P199-I265 HydrophobicContact CG-CG2 4.5Å; M202-I265 HydrophobicContact CE-CG2 4.17Å; M202-I265 HydrophobicContact SD-CD1 3.9Å; M202-I265 HydrophobicContact SD-CG2 4.26Å; Y238-I265 HydrophobicContact CD1-CG1 3.84Å; Y238-I265 HydrophobicContact CE1-CG1 3.8Å; A261-I265 WeakPolarHBondContact O-CD1 3.18Å; A261-I265 VanDerWaalsContact O-CG1 3.25Å; A261-I265 WeakPolarHBondContact O-CG1 3.45Å; A261-I265 PolarHBondContact O-N 3.18Å; I265-Y267 PolarHBondContact O-N 3.38Å; I265-E268 PolarHBondContact O-N 3.13Å; I265-M269 HydrophobicContact CG2-CE 3.79Å; I265-M269 HydrophobicContact CG2-SD 4.42Å; I265-M269 VanDerWaalsContact O-CG 3.31Å; I265-M269 WeakPolarHBondContact O-CG 3.31Å; I265-M269 PolarHBondContact O-N 3.05Å |
| 266 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L177 L262 V264 M269 F270 F311 I312 | L177-A266 HydrophobicContact CD1-CB 3.82Å; L177-A266 HydrophobicContact CD2-CB 3.86Å; L262-A266 VanDerWaalsContact O-CB 3.3Å; L262-A266 WeakPolarHBondContact O-CB 3.45Å; L262-A266 PolarHBondContact O-N 2.96Å; V264-A266 VanDerWaalsContact C-N 3.35Å; V264-A266 PolarHBondContact O-N 3.02Å; A266-M269 PolarHBondContact O-N 3.43Å; A266-F270 WeakPolarHBondContact O-CD2 3.39Å; A266-F270 PolarHBondContact O-N 3.49Å; A266-F311 HydrophobicContact CB-CE1 4.42Å; A266-I312 HydrophobicContact CB-CG1 4.14Å |
| 267 | Y | 97 | Very high | 96.1 | Very high | 25 Ų | 25 | 18.8 Ų | 18.8 | 10% | 0.098 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 173.7 | -176.7 | -75.8 | 0 | 0 | 0 | 111.7 | G263 V264 I265 M269 F270 F271 E273 A275 L295 R296 I297 I312 | G263-Y267 PolarHBondContact O-N 3.49Å; G263-Y267 VanDerWaalsContact O-N 3.1Å; V264-Y267 WeakPolarHBondContact O-CB 3.44Å; V264-Y267 PolarHBondContact O-N 3.03Å; I265-Y267 PolarHBondContact O-N 3.38Å; Y267-M269 VanDerWaalsContact C-N 3.31Å; Y267-M269 PolarHBondContact O-N 3.29Å; Y267-F270 PolarHBondContact O-N 2.94Å; Y267-F271 HydrophobicContact CD1-CB 4.12Å; Y267-F271 AromaticContact CD1-CD2 3.8Å; Y267-F271 HydrophobicContact CD1-CD2 3.8Å; Y267-F271 HydrophobicContact CD1-CG 4.43Å; Y267-F271 AromaticContact CD2-CD2 3.67Å; Y267-F271 HydrophobicContact CD2-CD2 3.67Å; Y267-F271 AromaticContact CD2-CE2 3.98Å; Y267-F271 HydrophobicContact CD2-CE2 3.98Å; Y267-F271 HydrophobicContact CE1-CB 3.74Å; Y267-F271 AromaticContact CE1-CD2 3.76Å; Y267-F271 HydrophobicContact CE1-CD2 3.76Å; Y267-F271 HydrophobicContact CE1-CG 4.11Å; Y267-F271 AromaticContact CE2-CD2 3.65Å; Y267-F271 HydrophobicContact CE2-CD2 3.65Å; Y267-F271 HydrophobicContact CE2-CE2 4.01Å; Y267-F271 AromaticContact CG-CD2 3.75Å; Y267-F271 HydrophobicContact CG-CD2 3.75Å; Y267-F271 HydrophobicContact CG-CE2 4.4Å; Y267-F271 AromaticContact CZ-CD2 3.69Å; Y267-F271 VanDerWaalsContact O-CD2 3.29Å; Y267-F271 WeakPolarHBondContact O-CD2 3.47Å; Y267-F271 PolarHBondContact O-N 3.2Å; Y267-E273 VanDerWaalsContact CD1-O 3.29Å; Y267-E273 WeakPolarHBondContact CD1-O 3.26Å; Y267-E273 WeakPolarHBondContact CE1-O 3.35Å; Y267-A275 VanDerWaalsContact CD1-CA 3.47Å; Y267-A275 HydrophobicContact CD1-CB 3.7Å; Y267-A275 HydrophobicContact CD2-CB 3.81Å; Y267-A275 HydrophobicContact CE1-CB 4.13Å; Y267-A275 HydrophobicContact CE2-CB 4.22Å; Y267-A275 HydrophobicContact CG-CB 3.54Å; Y267-L295 HydrophobicContact CD2-CD1 4.25Å; Y267-L295 HydrophobicContact CE2-CD1 4.25Å; Y267-R296 WeakPolarHBondContact CE2-O 3.31Å; Y267-R296 PolarHBondContact OH-O 2.72Å; Y267-I297 HydrophobicContact CD2-CD1 4.31Å; Y267-I297 HydrophobicContact CE2-CD1 4.16Å; Y267-I312 HydrophobicContact CD2-CG2 4.22Å |
| 268 | E | 96.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 18.8 Ų | 18.8 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | -178.7 | -163.7 | -175.6 | -166.8 | 0 | 0 | 111.8 | L162 P199 Y238 V264 I265 F270 F271 G272 P274 | L162-E268 HydrophobicContact CD2-CB 4.37Å; L162-E268 HydrophobicContact CD2-CG 3.8Å; P199-E268 WeakPolarHBondContact CG-OE2 3.47Å; Y238-E268 VanDerWaalsContact CE1-OE2 3.23Å; Y238-E268 WeakPolarHBondContact CE1-OE2 3.47Å; Y238-E268 VanDerWaalsContact OH-CD 3.23Å; Y238-E268 PolarHBondContact OH-OE1 3.01Å; Y238-E268 VanDerWaalsContact OH-OE1 3.05Å; Y238-E268 PolarHBondContact OH-OE2 3.47Å; V264-E268 WeakPolarHBondContact O-CB 3.35Å; V264-E268 PolarHBondContact O-N 3.31Å; I265-E268 PolarHBondContact O-N 3.13Å; E268-F270 VanDerWaalsContact C-N 3.27Å; E268-F270 PolarHBondContact O-N 3.42Å; E268-F271 PolarHBondContact O-N 3.09Å; E268-G272 WeakPolarHBondContact O-CA 3.37Å; E268-G272 PolarHBondContact O-N 3.19Å; E268-P274 HydrophobicContact CG-CG 4.23Å |
| 269 | M | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.1 | -36.7 | 173.9 | -75.3 | 178.1 | 175.8 | 0 | 0 | 113.2 | L158 F168 A173 L177 I265 A266 Y267 | L158-M269 HydrophobicContact CD2-CE 3.55Å; F168-M269 HydrophobicContact CB-CB 4.42Å; F168-M269 HydrophobicContact CD2-CB 4.13Å; F168-M269 HydrophobicContact CD2-CE 4.32Å; F168-M269 HydrophobicContact CD2-CG 3.7Å; F168-M269 HydrophobicContact CD2-SD 4.06Å; F168-M269 HydrophobicContact CE2-CE 4.18Å; F168-M269 HydrophobicContact CE2-CG 4.17Å; F168-M269 PolarHBondContact N-O 3.47Å; A173-M269 HydrophobicContact CB-CB 4.21Å; A173-M269 HydrophobicContact CB-SD 4Å; L177-M269 HydrophobicContact CD1-SD 4.1Å; L177-M269 HydrophobicContact CD2-CE 4.39Å; L177-M269 HydrophobicContact CD2-SD 3.97Å; L177-M269 HydrophobicContact CG-CE 4.47Å; L177-M269 HydrophobicContact CG-SD 3.78Å; I265-M269 HydrophobicContact CG2-CE 3.79Å; I265-M269 HydrophobicContact CG2-SD 4.42Å; I265-M269 VanDerWaalsContact O-CG 3.31Å; I265-M269 WeakPolarHBondContact O-CG 3.31Å; I265-M269 PolarHBondContact O-N 3.05Å; A266-M269 PolarHBondContact O-N 3.43Å; Y267-M269 VanDerWaalsContact C-N 3.31Å; Y267-M269 PolarHBondContact O-N 3.29Å |
| 270 | F | 95.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -91.4 | -21.9 | -178.1 | -70.5 | -65.7 | 0 | 0 | 0 | 114.3 | E170 A173 A266 Y267 E268 I304 T308 I312 F354 | E170-F270 HydrophobicContact CB-CE1 4.04Å; E170-F270 HydrophobicContact CB-CZ 4.34Å; E170-F270 HydrophobicContact CG-CE1 4.02Å; E170-F270 HydrophobicContact CG-CZ 3.89Å; A173-F270 HydrophobicContact CB-CE1 3.87Å; A173-F270 HydrophobicContact CB-CE2 3.93Å; A173-F270 HydrophobicContact CB-CZ 3.42Å; A173-F270 VanDerWaalsContact CB-CZ 3.42Å; A266-F270 WeakPolarHBondContact O-CD2 3.39Å; A266-F270 PolarHBondContact O-N 3.49Å; Y267-F270 PolarHBondContact O-N 2.94Å; E268-F270 VanDerWaalsContact C-N 3.27Å; E268-F270 PolarHBondContact O-N 3.42Å; F270-I304 HydrophobicContact CB-CG2 3.92Å; F270-I304 HydrophobicContact CD1-CG2 3.71Å; F270-I304 HydrophobicContact CE1-CG2 4.38Å; F270-I304 HydrophobicContact CG-CG2 3.81Å; F270-T308 HydrophobicContact CD2-CG2 3.6Å; F270-T308 HydrophobicContact CE1-CG2 4.25Å; F270-T308 HydrophobicContact CE2-CG2 3.2Å; F270-T308 HydrophobicContact CG-CG2 4.31Å; F270-T308 HydrophobicContact CZ-CG2 3.56Å; F270-I312 HydrophobicContact CD2-CD1 4.13Å; F270-F354 HydrophobicContact CZ-CE2 4.31Å; F270-F354 HydrophobicContact CZ-CZ 4.37Å |
| 271 | F | 94 | Very high | 94.7 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -127.5 | -0.1 | -170.1 | -57.1 | -60.7 | 0 | 0 | 0 | 115.4 | Y267 E268 E273 I297 P298 A301 I304 I312 | Y267-F271 HydrophobicContact CD1-CB 4.12Å; Y267-F271 AromaticContact CD1-CD2 3.8Å; Y267-F271 HydrophobicContact CD1-CD2 3.8Å; Y267-F271 HydrophobicContact CD1-CG 4.43Å; Y267-F271 AromaticContact CD2-CD2 3.67Å; Y267-F271 HydrophobicContact CD2-CD2 3.67Å; Y267-F271 AromaticContact CD2-CE2 3.98Å; Y267-F271 HydrophobicContact CD2-CE2 3.98Å; Y267-F271 HydrophobicContact CE1-CB 3.74Å; Y267-F271 AromaticContact CE1-CD2 3.76Å; Y267-F271 HydrophobicContact CE1-CD2 3.76Å; Y267-F271 HydrophobicContact CE1-CG 4.11Å; Y267-F271 AromaticContact CE2-CD2 3.65Å; Y267-F271 HydrophobicContact CE2-CD2 3.65Å; Y267-F271 HydrophobicContact CE2-CE2 4.01Å; Y267-F271 AromaticContact CG-CD2 3.75Å; Y267-F271 HydrophobicContact CG-CD2 3.75Å; Y267-F271 HydrophobicContact CG-CE2 4.4Å; Y267-F271 AromaticContact CZ-CD2 3.69Å; Y267-F271 VanDerWaalsContact O-CD2 3.29Å; Y267-F271 WeakPolarHBondContact O-CD2 3.47Å; Y267-F271 PolarHBondContact O-N 3.2Å; E268-F271 PolarHBondContact O-N 3.09Å; F271-E273 PolarHBondContact O-N 3.46Å; F271-E273 VanDerWaalsContact O-N 3.08Å; F271-I297 HydrophobicContact CE1-CG2 4.47Å; F271-I297 HydrophobicContact CE2-CD1 4.32Å; F271-I297 HydrophobicContact CE2-CG2 4.34Å; F271-I297 HydrophobicContact CZ-CG2 3.75Å; F271-P298 HydrophobicContact CD1-CB 4.45Å; F271-P298 HydrophobicContact CD1-CG 3.85Å; F271-P298 HydrophobicContact CE1-CG 4.26Å; F271-P298 HydrophobicContact CG-CG 4.16Å; F271-A301 HydrophobicContact CD1-CB 3.89Å; F271-A301 HydrophobicContact CE1-CB 4.04Å; F271-I304 HydrophobicContact CE1-CG2 4.43Å; F271-I304 HydrophobicContact CE2-CD1 4.32Å; F271-I304 HydrophobicContact CZ-CD1 3.85Å; F271-I304 HydrophobicContact CZ-CG1 4.27Å; F271-I304 HydrophobicContact CZ-CG2 4.07Å; F271-I312 HydrophobicContact CE2-CD1 4.36Å |
| 272 | G | 92 | Very high | 94.4 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 76.8 | -16.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D166 E268 | D166-G272 WeakPolarHBondContact O-CA 3.32Å; E268-G272 WeakPolarHBondContact O-CA 3.37Å; E268-G272 PolarHBondContact O-N 3.19Å |
| 273 | E | 92.1 | Very high | 94.1 | Very high | 123 Ų | 123 | 43.5 Ų | 43.5 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -128.6 | 148.3 | 174.2 | -65.4 | -169.5 | 161.7 | 0 | 0 | 111.4 | Y267 F271 | Y267-E273 VanDerWaalsContact CD1-O 3.29Å; Y267-E273 WeakPolarHBondContact CD1-O 3.26Å; Y267-E273 WeakPolarHBondContact CE1-O 3.35Å; F271-E273 PolarHBondContact O-N 3.46Å; F271-E273 VanDerWaalsContact O-N 3.08Å |
| 274 | P | 94.7 | Very high | 93.9 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | trans | -60.9 | 138.5 | 175.8 | -25.9 | 34.5 | 0 | 0 | 0 | 113.8 | D237 V264 E268 F276 Y277 | D237-P274 HydrophobicContact CB-CB 3.92Å; D237-P274 HydrophobicContact CB-CG 4.22Å; V264-P274 HydrophobicContact CG1-CB 4.03Å; E268-P274 HydrophobicContact CG-CG 4.23Å; P274-F276 PolarHBondContact O-N 2.88Å; P274-Y277 WeakPolarHBondContact O-CB 3.47Å; P274-Y277 PolarHBondContact O-N 3.16Å | ||
| 275 | A | 94.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -25.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y267 L295 L316 | Y267-A275 VanDerWaalsContact CD1-CA 3.47Å; Y267-A275 HydrophobicContact CD1-CB 3.7Å; Y267-A275 HydrophobicContact CD2-CB 3.81Å; Y267-A275 HydrophobicContact CE1-CB 4.13Å; Y267-A275 HydrophobicContact CE2-CB 4.22Å; Y267-A275 HydrophobicContact CG-CB 3.54Å; A275-L295 HydrophobicContact CB-CD1 4.22Å; A275-L316 HydrophobicContact CB-CD1 4.03Å |
| 276 | F | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 13.9 | -176.2 | -54 | -70.9 | 0 | 0 | 0 | 113.7 | W260 V264 P274 T284 R287 I288 H291 L295 L316 | W260-F276 AromaticContact CH2-CE2 3.69Å; W260-F276 HydrophobicContact CH2-CE2 3.69Å; W260-F276 AromaticContact CH2-CZ 3.74Å; W260-F276 HydrophobicContact CH2-CZ 3.74Å; W260-F276 AromaticContact CZ2-CD2 3.89Å; W260-F276 HydrophobicContact CZ2-CD2 3.89Å; W260-F276 AromaticContact CZ2-CE2 3.26Å; W260-F276 HydrophobicContact CZ2-CE2 3.26Å; W260-F276 AromaticContact CZ2-CZ 3.81Å; W260-F276 HydrophobicContact CZ2-CZ 3.81Å; V264-F276 HydrophobicContact CG2-CD2 4.28Å; V264-F276 HydrophobicContact CG2-CE2 4.24Å; P274-F276 PolarHBondContact O-N 2.88Å; F276-T284 WeakPolarHBondContact O-CA 3.35Å; F276-R287 HydrophobicContact CB-CB 3.96Å; F276-R287 HydrophobicContact CD1-CB 4.24Å; F276-R287 WeakPolarHBondContact O-CD 3.35Å; F276-I288 HydrophobicContact CB-CD1 4.4Å; F276-I288 HydrophobicContact CB-CG1 3.55Å; F276-I288 HydrophobicContact CD2-CG1 3.9Å; F276-I288 HydrophobicContact CG-CG1 3.76Å; F276-H291 HydrophobicContact CE1-CB 3.71Å; F276-H291 HydrophobicContact CZ-CB 3.77Å; F276-L295 HydrophobicContact CE1-CB 4Å; F276-L295 HydrophobicContact CE1-CD1 4.41Å; F276-L295 HydrophobicContact CZ-CB 4.27Å; F276-L295 HydrophobicContact CZ-CD1 4.19Å; F276-L316 HydrophobicContact CE2-CD1 4.06Å; F276-L316 HydrophobicContact CE2-CD2 4.09Å; F276-L316 HydrophobicContact CZ-CD1 4.15Å |
| 277 | Y | 91.7 | Very high | 93.4 | Very high | 108 Ų | 108 | 54.9 Ų | 54.9 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | trans | -49.7 | 145.4 | 179.4 | 176.8 | -110.1 | 0 | 0 | 0 | 112.3 | P274 R287 | P274-Y277 WeakPolarHBondContact O-CB 3.47Å; P274-Y277 PolarHBondContact O-N 3.16Å; Y277-R287 VanDerWaalsContact O-CD 3.24Å; Y277-R287 WeakPolarHBondContact O-CD 3.39Å; Y277-R287 PolarHBondContact O-NE 3.07Å; Y277-R287 PolarHBondContact O-NH1 2.91Å | ||
| 278 | G | 89.9 | Confident | 93.3 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | trans | -150.5 | 160.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S280 T284 | G278-S280 PolarHBondContact O-N 3.41Å; G278-S280 VanDerWaalsContact O-N 3.1Å; G278-T284 PolarHBondContact N-OG1 2.92Å | ||
| 279 | Q | 89.5 | Confident | 93.1 | Very high | 183 Ų | 183 | 58 Ų | 58 | 86% | 0.855 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -71.3 | -5.5 | -178.1 | -60.7 | -173.4 | 1.7 | 0 | 0 | 113.1 | E283 | Q279-E283 PolarHBondContact N-OE2 3.19Š|
| 280 | S | 91.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 59.4 Ų | 59.4 | 43% | 0.434 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -152.9 | 154.2 | 172.6 | 68.3 | 0 | 0 | 0 | 0 | 110.8 | G278 V282 E283 T284 | G278-S280 PolarHBondContact O-N 3.41Å; G278-S280 VanDerWaalsContact O-N 3.1Å; S280-V282 PolarHBondContact O-N 2.86Å; S280-V282 VanDerWaalsContact O-N 3.11Å; S280-E283 WeakPolarHBondContact O-CA 3.15Å; S280-E283 WeakPolarHBondContact O-CB 3.4Å; S280-E283 PolarHBondContact O-N 3.28Å; S280-E283 PolarHBondContact OG-N 3.41Å; S280-T284 PolarHBondContact O-N 3.24Å; S280-T284 PolarHBondContact O-OG1 3.04Å |
| 281 | L | 89.6 | Confident | 92.8 | Very high | 101 Ų | 101 | 59.3 Ų | 59.3 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52.6 | -35 | 177.2 | -61.8 | 173.9 | 0 | 0 | 0 | 113.3 | P236 E283 T284 Y285 | P236-L281 HydrophobicContact CB-CD2 3.6Å; P236-L281 HydrophobicContact CG-CD2 3.55Å; L281-E283 VanDerWaalsContact C-N 3.33Å; L281-T284 PolarHBondContact O-N 3.24Å; L281-Y285 WeakPolarHBondContact O-CB 3.47Å; L281-Y285 WeakPolarHBondContact O-CD1 3.32Å; L281-Y285 PolarHBondContact O-N 3.43Å |
| 282 | V | 90.5 | Very high | 92.7 | Very high | 114 Ų | 114 | 65.4 Ų | 65.4 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.9 | -34.3 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | S280 S286 | S280-V282 PolarHBondContact O-N 2.86Å; S280-V282 VanDerWaalsContact O-N 3.11Å; V282-S286 VanDerWaalsContact O-CB 3.22Å; V282-S286 WeakPolarHBondContact O-CB 3.41Å; V282-S286 PolarHBondContact O-N 3Å |
| 283 | E | 93.1 | Very high | 92.7 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.2 | -48.1 | 173.6 | -167.7 | -175.6 | 179.9 | 0 | 0 | 111.1 | Q279 S280 L281 Y285 S286 R287 | Q279-E283 PolarHBondContact N-OE2 3.19Å; S280-E283 WeakPolarHBondContact O-CA 3.15Å; S280-E283 WeakPolarHBondContact O-CB 3.4Å; S280-E283 PolarHBondContact O-N 3.28Å; S280-E283 PolarHBondContact OG-N 3.41Å; L281-E283 VanDerWaalsContact C-N 3.33Å; E283-Y285 PolarHBondContact O-N 3.03Å; E283-S286 PolarHBondContact O-N 3.32Å; E283-S286 VanDerWaalsContact O-N 3.16Å; E283-R287 WeakPolarHBondContact O-CG 3.42Å; E283-R287 PolarHBondContact O-N 3.24Å; E283-R287 IonicContact OE1-CZ 2.68Å; E283-R287 IonicContact OE1-NE 2.81Å; E283-R287 PolarHBondContact OE1-NE 3.44Å; E283-R287 IonicContact OE1-NH2 2.75Å; E283-R287 PolarHBondContact OE1-NH2 2.88Å |
| 284 | T | 93.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.7 | -50.8 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | P236 D237 F276 G278 S280 L281 S286 R287 I288 | P236-T284 VanDerWaalsContact O-CG2 3.3Å; P236-T284 WeakPolarHBondContact O-CG2 3.4Å; D237-T284 HydrophobicContact CB-CG2 4.41Å; D237-T284 VanDerWaalsContact OD1-CG2 3.27Å; D237-T284 WeakPolarHBondContact OD1-CG2 3.23Å; F276-T284 WeakPolarHBondContact O-CA 3.35Å; G278-T284 PolarHBondContact N-OG1 2.92Å; S280-T284 PolarHBondContact O-N 3.24Å; S280-T284 PolarHBondContact O-OG1 3.04Å; L281-T284 PolarHBondContact O-N 3.24Å; T284-S286 VanDerWaalsContact C-N 3.34Å; T284-S286 PolarHBondContact O-N 3.17Å; T284-R287 WeakPolarHBondContact O-CB 3.14Å; T284-R287 PolarHBondContact O-N 3.26Å; T284-R287 VanDerWaalsContact O-N 3.13Å; T284-I288 HydrophobicContact CG2-CD1 3.92Å; T284-I288 WeakPolarHBondContact O-CG1 3.48Å; T284-I288 PolarHBondContact O-N 2.82Å |
| 285 | Y | 93.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 22% | 0.216 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 178 | -64.1 | -9.4 | 0 | 0 | 0 | 112.7 | P236 I239 L244 L281 E283 R287 I288 L289 | P236-Y285 HydrophobicContact CB-CE1 3.85Å; I239-Y285 HydrophobicContact CG2-CE1 4.27Å; L244-Y285 HydrophobicContact CD1-CD1 3.92Å; L244-Y285 HydrophobicContact CD1-CG 4.14Å; L244-Y285 HydrophobicContact CD2-CD1 3.59Å; L244-Y285 HydrophobicContact CD2-CD2 4.05Å; L244-Y285 HydrophobicContact CD2-CE1 3.62Å; L244-Y285 HydrophobicContact CD2-CE2 4.08Å; L244-Y285 HydrophobicContact CD2-CG 3.82Å; L244-Y285 HydrophobicContact CG-CD1 4.43Å; L281-Y285 WeakPolarHBondContact O-CB 3.47Å; L281-Y285 WeakPolarHBondContact O-CD1 3.32Å; L281-Y285 PolarHBondContact O-N 3.43Å; E283-Y285 PolarHBondContact O-N 3.03Å; Y285-R287 VanDerWaalsContact C-N 3.33Å; Y285-I288 PolarHBondContact O-N 2.74Å; Y285-L289 WeakPolarHBondContact O-CB 3.22Å; Y285-L289 VanDerWaalsContact O-CG 3.31Å; Y285-L289 WeakPolarHBondContact O-CG 3.43Å; Y285-L289 PolarHBondContact O-N 2.76Å |
| 286 | S | 92.9 | Very high | 92.6 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 57% | 0.573 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.8 | -34.3 | 174.2 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | V282 E283 T284 G290 | V282-S286 VanDerWaalsContact O-CB 3.22Å; V282-S286 WeakPolarHBondContact O-CB 3.41Å; V282-S286 PolarHBondContact O-N 3Å; E283-S286 PolarHBondContact O-N 3.32Å; E283-S286 VanDerWaalsContact O-N 3.16Å; T284-S286 VanDerWaalsContact C-N 3.34Å; T284-S286 PolarHBondContact O-N 3.17Å; S286-G290 PolarHBondContact O-N 3.43Å; S286-G290 VanDerWaalsContact O-N 3.15Å |
| 287 | R | 95.4 | Very high | 92.3 | Very high | 100 Ų | 100 | 78.8 Ų | 78.8 | 38% | 0.377 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 174.2 | -72 | 171.4 | 178.5 | -137.3 | 3.9 | 110.5 | F276 Y277 E283 T284 Y285 G290 H291 S294 | F276-R287 HydrophobicContact CB-CB 3.96Å; F276-R287 HydrophobicContact CD1-CB 4.24Å; F276-R287 WeakPolarHBondContact O-CD 3.35Å; Y277-R287 VanDerWaalsContact O-CD 3.24Å; Y277-R287 WeakPolarHBondContact O-CD 3.39Å; Y277-R287 PolarHBondContact O-NE 3.07Å; Y277-R287 PolarHBondContact O-NH1 2.91Å; E283-R287 WeakPolarHBondContact O-CG 3.42Å; E283-R287 PolarHBondContact O-N 3.24Å; E283-R287 IonicContact OE1-CZ 2.68Å; E283-R287 IonicContact OE1-NE 2.81Å; E283-R287 PolarHBondContact OE1-NE 3.44Å; E283-R287 IonicContact OE1-NH2 2.75Å; E283-R287 PolarHBondContact OE1-NH2 2.88Å; T284-R287 WeakPolarHBondContact O-CB 3.14Å; T284-R287 PolarHBondContact O-N 3.26Å; T284-R287 VanDerWaalsContact O-N 3.13Å; Y285-R287 VanDerWaalsContact C-N 3.33Å; R287-G290 CarbonylContact O-C 3.53Å; R287-G290 VanDerWaalsContact O-C 3.3Å; R287-G290 PolarHBondContact O-N 3.19Å; R287-H291 PolarHBondContact O-N 3.06Å; R287-H291 VanDerWaalsContact O-N 3.11Å; R287-S294 PolarHBondContact O-OG 2.76Å |
| 288 | I | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 178.4 | -66.1 | 164.8 | 0 | 0 | 0 | 111.9 | P236 I239 P241 L244 W260 F276 T284 Y285 G290 H291 | P236-I288 WeakPolarHBondContact O-CD1 3.21Å; I239-I288 HydrophobicContact CG2-CD1 3.89Å; P241-I288 HydrophobicContact CB-CG2 4.35Å; P241-I288 HydrophobicContact CG-CG2 3.8Å; L244-I288 HydrophobicContact CD1-CB 3.86Å; L244-I288 HydrophobicContact CD1-CD1 4.11Å; L244-I288 HydrophobicContact CD1-CG2 3.61Å; W260-I288 HydrophobicContact CZ2-CG2 3.9Å; F276-I288 HydrophobicContact CB-CD1 4.4Å; F276-I288 HydrophobicContact CB-CG1 3.55Å; F276-I288 HydrophobicContact CD2-CG1 3.9Å; F276-I288 HydrophobicContact CG-CG1 3.76Å; T284-I288 HydrophobicContact CG2-CD1 3.92Å; T284-I288 WeakPolarHBondContact O-CG1 3.48Å; T284-I288 PolarHBondContact O-N 2.82Å; Y285-I288 PolarHBondContact O-N 2.74Å; I288-G290 PolarHBondContact O-N 3.21Å; I288-H291 WeakPolarHBondContact O-CB 3.32Å; I288-H291 PolarHBondContact O-N 2.97Å; I288-H291 VanDerWaalsContact O-N 3.17Å; I288-H291 PolarHBondContact O-ND1 2.89Å |
| 289 | L | 92.3 | Very high | 91.8 | Very high | 100 Ų | 100 | 82.3 Ų | 82.3 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -25.2 | 177.2 | -67.8 | 172.6 | 0 | 0 | 0 | 112.2 | L244 Y285 | L244-L289 HydrophobicContact CB-CD2 4.2Å; L244-L289 HydrophobicContact CD1-CG 4.38Å; Y285-L289 WeakPolarHBondContact O-CB 3.22Å; Y285-L289 VanDerWaalsContact O-CG 3.31Å; Y285-L289 WeakPolarHBondContact O-CG 3.43Å; Y285-L289 PolarHBondContact O-N 2.76Å |
| 290 | G | 93 | Very high | 91.4 | Very high | 31 Ų | 31 | 80.6 Ų | 80.6 | 32% | 0.32 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 19.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S286 R287 I288 E292 K293 S294 | S286-G290 PolarHBondContact O-N 3.43Å; S286-G290 VanDerWaalsContact O-N 3.15Å; R287-G290 CarbonylContact O-C 3.53Å; R287-G290 VanDerWaalsContact O-C 3.3Å; R287-G290 PolarHBondContact O-N 3.19Å; I288-G290 PolarHBondContact O-N 3.21Å; G290-E292 VanDerWaalsContact C-N 3.28Å; G290-E292 PolarHBondContact O-N 3.1Å; G290-E292 VanDerWaalsContact O-N 3.08Å; G290-K293 PolarHBondContact O-N 3.45Å; G290-S294 PolarHBondContact O-N 3.16Å; G290-S294 VanDerWaalsContact O-N 3.13Å; G290-S294 PolarHBondContact O-OG 3.46Å |
| 291 | H | 94.3 | Very high | 90.7 | Very high | 17 Ų | 17 | 79.9 Ų | 79.9 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -48.5 | -39.8 | -166.9 | 58.8 | -83.1 | 0 | 0 | 0 | 115.8 | W260 F276 R287 I288 K293 S294 L295 L316 S318 | W260-H291 HydrophobicContact CH2-CB 3.63Å; W260-H291 AromaticContact CH2-CG 3.66Å; W260-H291 HydrophobicContact CZ3-CB 4.4Å; W260-H291 AromaticContact CZ3-CD2 3.94Å; F276-H291 HydrophobicContact CE1-CB 3.71Å; F276-H291 HydrophobicContact CZ-CB 3.77Å; R287-H291 PolarHBondContact O-N 3.06Å; R287-H291 VanDerWaalsContact O-N 3.11Å; I288-H291 WeakPolarHBondContact O-CB 3.32Å; I288-H291 PolarHBondContact O-N 2.97Å; I288-H291 VanDerWaalsContact O-N 3.17Å; I288-H291 PolarHBondContact O-ND1 2.89Å; H291-K293 PolarHBondContact O-N 3.36Å; H291-S294 VanDerWaalsContact CA-OG 3.25Å; H291-S294 WeakPolarHBondContact CA-OG 3.44Å; H291-S294 PolarHBondContact O-N 2.84Å; H291-L295 VanDerWaalsContact O-CB 3.26Å; H291-L295 WeakPolarHBondContact O-CB 3.15Å; H291-L295 PolarHBondContact O-N 3.28Å; H291-L316 PolarHBondContact CD2-O 3.48Å; H291-S318 PolarHBondContact NE2-N 3.42Å |
| 292 | E | 91.1 | Very high | 90.2 | Very high | 159 Ų | 159 | 81.9 Ų | 81.9 | 74% | 0.743 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -53.9 | -19 | 175.8 | -58.8 | -178.2 | 160.4 | 0 | 0 | 114.6 | G290 | G290-E292 VanDerWaalsContact C-N 3.28Å; G290-E292 PolarHBondContact O-N 3.1Å; G290-E292 VanDerWaalsContact O-N 3.08Å |
| 293 | K | 92.3 | Very high | 89.8 | Confident | 173 Ų | 173 | 82.4 Ų | 82.4 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -124.5 | -19.6 | -177 | -62.2 | 173.6 | -174.4 | 167.9 | 0 | 113.8 | G290 H291 | G290-K293 PolarHBondContact O-N 3.45Å; H291-K293 PolarHBondContact O-N 3.36Å |
| 294 | S | 93.2 | Very high | 89.7 | Confident | 33 Ų | 33 | 81 Ų | 81 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -93.5 | -31.6 | -179.7 | 63 | 0 | 0 | 0 | 0 | 112.5 | R287 G290 H291 R296 | R287-S294 PolarHBondContact O-OG 2.76Å; G290-S294 PolarHBondContact O-N 3.16Å; G290-S294 VanDerWaalsContact O-N 3.13Å; G290-S294 PolarHBondContact O-OG 3.46Å; H291-S294 VanDerWaalsContact CA-OG 3.25Å; H291-S294 WeakPolarHBondContact CA-OG 3.44Å; H291-S294 PolarHBondContact O-N 2.84Å; S294-R296 PolarHBondContact O-N 3.47Å |
| 295 | L | 94.1 | Very high | 89.7 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 20% | 0.204 | 44% | 0.436 | C | S | . | . | trans | -61.8 | 122.5 | 177 | -179.5 | 61.7 | 0 | 0 | 0 | 110.1 | Y267 A275 F276 H291 L316 | Y267-L295 HydrophobicContact CD2-CD1 4.25Å; Y267-L295 HydrophobicContact CE2-CD1 4.25Å; A275-L295 HydrophobicContact CB-CD1 4.22Å; F276-L295 HydrophobicContact CE1-CB 4Å; F276-L295 HydrophobicContact CE1-CD1 4.41Å; F276-L295 HydrophobicContact CZ-CB 4.27Å; F276-L295 HydrophobicContact CZ-CD1 4.19Å; H291-L295 VanDerWaalsContact O-CB 3.26Å; H291-L295 WeakPolarHBondContact O-CB 3.15Å; H291-L295 PolarHBondContact O-N 3.28Å; L295-L316 HydrophobicContact CD1-CD1 3.71Å; L295-L316 HydrophobicContact CD2-CB 3.83Å; L295-L316 HydrophobicContact CD2-CD1 4.16Å | ||
| 296 | R | 90.8 | Very high | 89.8 | Confident | 189 Ų | 189 | 83.9 Ų | 83.9 | 71% | 0.713 | 46% | 0.456 | S | S | * | . | trans | -138.8 | 128.9 | 179.2 | -68.1 | 175.5 | -176.3 | -135.4 | -3.8 | 109.3 | Y267 S294 | Y267-R296 WeakPolarHBondContact CE2-O 3.31Å; Y267-R296 PolarHBondContact OH-O 2.72Å; S294-R296 PolarHBondContact O-N 3.47Å | ||
| 297 | I | 90.8 | Very high | 89.9 | Confident | 35 Ų | 35 | 84 Ų | 84 | 18% | 0.179 | 45% | 0.447 | C | S | . | . | trans | -83.5 | 122.4 | 167.6 | -53.6 | -57.9 | 0 | 0 | 0 | 106.8 | Y267 F271 I304 E309 I312 | Y267-I297 HydrophobicContact CD2-CD1 4.31Å; Y267-I297 HydrophobicContact CE2-CD1 4.16Å; F271-I297 HydrophobicContact CE1-CG2 4.47Å; F271-I297 HydrophobicContact CE2-CD1 4.32Å; F271-I297 HydrophobicContact CE2-CG2 4.34Å; F271-I297 HydrophobicContact CZ-CG2 3.75Å; I297-I304 HydrophobicContact CG2-CD1 4.34Å; I297-E309 HydrophobicContact CD1-CG 4.39Å; I297-E309 HydrophobicContact CG1-CG 3.9Å; I297-E309 HydrophobicContact CG2-CG 4.46Å; I297-I312 HydrophobicContact CD1-CG2 4.45Å | ||
| 298 | P | 87.4 | Confident | 89.9 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 28% | 0.279 | 43% | 0.429 | S | S | . | . | trans | -59.9 | 136 | 176.2 | -23.6 | 34.7 | 0 | 0 | 0 | 111.2 | F271 A301 | F271-P298 HydrophobicContact CD1-CB 4.45Å; F271-P298 HydrophobicContact CD1-CG 3.85Å; F271-P298 HydrophobicContact CE1-CG 4.26Å; F271-P298 HydrophobicContact CG-CG 4.16Å; P298-A301 HydrophobicContact CB-CB 3.98Å | ||
| 299 | T | 83 | Confident | 89.9 | Confident | 144 Ų | 144 | 82.3 Ų | 82.3 | 88% | 0.883 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -96.2 | -1.4 | 177.9 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 300 | D | 80.9 | Confident | 90.1 | Very high | 148 Ų | 148 | 81.1 Ų | 81.1 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -116.3 | -3.1 | -174.1 | 50.6 | -38 | 0 | 0 | 0 | 113 | ||
| 301 | A | 77.5 | Confident | 90.3 | Very high | 46 Ų | 46 | 79.6 Ų | 79.6 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -85.5 | 173.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F271 P298 | F271-A301 HydrophobicContact CD1-CB 3.89Å; F271-A301 HydrophobicContact CE1-CB 4.04Å; P298-A301 HydrophobicContact CB-CB 3.98Å |
| 302 | D | 79.5 | Confident | 90.5 | Very high | 143 Ų | 143 | 78.8 Ų | 78.8 | 77% | 0.765 | 42% | 0.418 | S | S | * | . | trans | -62.5 | 138.4 | 173.5 | -82.1 | -46.3 | 0 | 0 | 0 | 111.4 | I304 | D302-I304 PolarHBondContact O-N 3.35Š| ||
| 303 | P | 82.9 | Confident | 90.7 | Very high | 126 Ų | 126 | 75.1 Ų | 75.1 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | trans | -76 | 111.2 | -170.7 | 29 | -34.9 | 0 | 0 | 0 | 112.6 | ||||
| 304 | I | 90.6 | Very high | 90.9 | Very high | 35 Ų | 35 | 68.5 Ų | 68.5 | 18% | 0.179 | 37% | 0.373 | C | S | . | . | trans | -67.3 | 158.1 | 170.1 | 60.6 | 167.2 | 0 | 0 | 0 | 112.6 | F270 F271 I297 D302 T308 E309 I312 | F270-I304 HydrophobicContact CB-CG2 3.92Å; F270-I304 HydrophobicContact CD1-CG2 3.71Å; F270-I304 HydrophobicContact CE1-CG2 4.38Å; F270-I304 HydrophobicContact CG-CG2 3.81Å; F271-I304 HydrophobicContact CE1-CG2 4.43Å; F271-I304 HydrophobicContact CE2-CD1 4.32Å; F271-I304 HydrophobicContact CZ-CD1 3.85Å; F271-I304 HydrophobicContact CZ-CG1 4.27Å; F271-I304 HydrophobicContact CZ-CG2 4.07Å; I297-I304 HydrophobicContact CG2-CD1 4.34Å; D302-I304 PolarHBondContact O-N 3.35Å; I304-T308 HydrophobicContact CB-CG2 4.06Å; I304-T308 HydrophobicContact CD1-CG2 3.89Å; I304-T308 HydrophobicContact CG2-CG2 4.37Å; I304-E309 HydrophobicContact CD1-CB 3.87Å; I304-E309 HydrophobicContact CD1-CG 4.14Å; I304-E309 HydrophobicContact CG1-CB 4.44Å; I304-I312 HydrophobicContact CD1-CD1 4.23Å | ||
| 305 | S | 93.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 67 Ų | 67 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | trans | -65.2 | 151.1 | 174.5 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | E170 E307 T308 E309 | E170-S305 PolarHBondContact OE1-OG 3.08Å; E170-S305 WeakPolarHBondContact OE2-CB 3.33Å; E170-S305 PolarHBondContact OE2-OG 2.84Å; S305-E307 PolarHBondContact O-N 2.9Å; S305-T308 WeakPolarHBondContact O-CA 3.31Å; S305-T308 WeakPolarHBondContact O-CB 3.47Å; S305-T308 PolarHBondContact O-N 3.25Å; S305-T308 WeakPolarHBondContact OG-CB 3.39Å; S305-T308 PolarHBondContact OG-N 3.06Å; S305-T308 VanDerWaalsContact OG-N 3.1Å; S305-T308 PolarHBondContact OG-OG1 3.47Å; S305-E309 PolarHBondContact O-N 2.91Å | ||
| 306 | P | 94.4 | Very high | 91.3 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 64% | 0.643 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -55.8 | -33.6 | 171.5 | -25.4 | 35.1 | 0 | 0 | 0 | 113 | E309 L310 | P306-E309 PolarHBondContact O-N 3.26Å; P306-L310 VanDerWaalsContact O-CB 3.29Å; P306-L310 WeakPolarHBondContact O-CB 3.26Å; P306-L310 PolarHBondContact O-N 3.16Å |
| 307 | E | 95.6 | Very high | 91.5 | Very high | 83 Ų | 83 | 60 Ų | 60 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 174.2 | -68.4 | 79.1 | 179.2 | 0 | 0 | 112.4 | S305 F311 H352 V353 | S305-E307 PolarHBondContact O-N 2.9Å; E307-F311 WeakPolarHBondContact O-CB 3.34Å; E307-F311 PolarHBondContact O-N 2.8Å; E307-F311 VanDerWaalsContact O-N 3.08Å; E307-H352 PolarHBondContact O-CE1 3.03Å; E307-V353 HydrophobicContact CG-CB 4.1Å; E307-V353 HydrophobicContact CG-CG1 3.76Å |
| 308 | T | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70 | -45.8 | 173 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | E170 F270 I304 S305 L310 F311 I312 F354 | E170-T308 WeakPolarHBondContact CG-OG1 3.46Å; E170-T308 PolarHBondContact OE1-OG1 3.02Å; E170-T308 VanDerWaalsContact OE1-OG1 3.12Å; F270-T308 HydrophobicContact CD2-CG2 3.6Å; F270-T308 HydrophobicContact CE1-CG2 4.25Å; F270-T308 HydrophobicContact CE2-CG2 3.2Å; F270-T308 HydrophobicContact CG-CG2 4.31Å; F270-T308 HydrophobicContact CZ-CG2 3.56Å; I304-T308 HydrophobicContact CB-CG2 4.06Å; I304-T308 HydrophobicContact CD1-CG2 3.89Å; I304-T308 HydrophobicContact CG2-CG2 4.37Å; S305-T308 WeakPolarHBondContact O-CA 3.31Å; S305-T308 WeakPolarHBondContact O-CB 3.47Å; S305-T308 PolarHBondContact O-N 3.25Å; S305-T308 WeakPolarHBondContact OG-CB 3.39Å; S305-T308 PolarHBondContact OG-N 3.06Å; S305-T308 VanDerWaalsContact OG-N 3.1Å; S305-T308 PolarHBondContact OG-OG1 3.47Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.92Å; T308-F311 PolarHBondContact O-N 2.8Å; T308-F311 VanDerWaalsContact O-N 3.12Å; T308-I312 HydrophobicContact CG2-CD1 4.06Å; T308-I312 WeakPolarHBondContact O-CG1 3.37Å; T308-I312 PolarHBondContact O-N 3.36Å; T308-F354 HydrophobicContact CG2-CE2 4.2Å; T308-F354 WeakPolarHBondContact OG1-CD2 3.34Å; T308-F354 VanDerWaalsContact OG1-CE2 3.29Å; T308-F354 WeakPolarHBondContact OG1-CE2 2.79Å |
| 309 | E | 95.5 | Very high | 91.9 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 179.4 | -156.5 | -160 | -174 | 0 | 0 | 111.1 | I297 I304 S305 P306 K313 | I297-E309 HydrophobicContact CD1-CG 4.39Å; I297-E309 HydrophobicContact CG1-CG 3.9Å; I297-E309 HydrophobicContact CG2-CG 4.46Å; I304-E309 HydrophobicContact CD1-CB 3.87Å; I304-E309 HydrophobicContact CD1-CG 4.14Å; I304-E309 HydrophobicContact CG1-CB 4.44Å; S305-E309 PolarHBondContact O-N 2.91Å; P306-E309 PolarHBondContact O-N 3.26Å; E309-K313 HydrophobicContact CG-CD 4.39Å; E309-K313 WeakPolarHBondContact O-CB 3.31Å; E309-K313 WeakPolarHBondContact O-CD 3.2Å; E309-K313 VanDerWaalsContact O-CG 3.23Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 3.27Å; E309-K313 VanDerWaalsContact O-N 3.15Å; E309-K313 VanDerWaalsContact OE1-CE 3.3Å; E309-K313 WeakPolarHBondContact OE1-CE 3.25Å; E309-K313 IonicContact OE1-NZ 3.92Å; E309-K313 PolarHBondContact OE1-NZ 3.48Å; E309-K313 IonicContact OE2-NZ 3.84Å; E309-K313 PolarHBondContact OE2-NZ 3.18Å |
| 310 | L | 96.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 56.5 Ų | 56.5 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 173.1 | -176.1 | 62.9 | 0 | 0 | 0 | 111.9 | P306 T308 I312 K313 D314 | P306-L310 VanDerWaalsContact O-CB 3.29Å; P306-L310 WeakPolarHBondContact O-CB 3.26Å; P306-L310 PolarHBondContact O-N 3.16Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.92Å; L310-I312 PolarHBondContact O-N 3.43Å; L310-K313 CarbonylContact O-C 3.37Å; L310-K313 PolarHBondContact O-N 2.88Å; L310-D314 WeakPolarHBondContact O-CB 3.26Å; L310-D314 PolarHBondContact O-N 3.36Å |
| 311 | F | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | -179.8 | -175.2 | -124 | 0 | 0 | 0 | 112.3 | L177 L262 A266 E307 T308 K313 D314 L315 L323 V349 H352 F354 F355 | L177-F311 HydrophobicContact CD1-CE1 4.22Å; L262-F311 HydrophobicContact CD2-CZ 4.42Å; A266-F311 HydrophobicContact CB-CE1 4.42Å; E307-F311 WeakPolarHBondContact O-CB 3.34Å; E307-F311 PolarHBondContact O-N 2.8Å; E307-F311 VanDerWaalsContact O-N 3.08Å; T308-F311 PolarHBondContact O-N 2.8Å; T308-F311 VanDerWaalsContact O-N 3.12Å; F311-K313 PolarHBondContact O-N 3.23Å; F311-D314 PolarHBondContact O-N 3.42Å; F311-L315 HydrophobicContact CD1-CD1 4.29Å; F311-L315 HydrophobicContact CD2-CD1 4.26Å; F311-L315 HydrophobicContact CE1-CD1 3.76Å; F311-L315 HydrophobicContact CE2-CD1 3.75Å; F311-L315 HydrophobicContact CE2-CG 4.23Å; F311-L315 HydrophobicContact CZ-CD1 3.48Å; F311-L315 VanDerWaalsContact CZ-CD1 3.48Å; F311-L315 HydrophobicContact CZ-CG 4.43Å; F311-L315 PolarHBondContact O-N 3.32Å; F311-L315 VanDerWaalsContact O-N 3.11Å; F311-L323 HydrophobicContact CD2-CD2 4.06Å; F311-L323 HydrophobicContact CE2-CD2 3.98Å; F311-V349 HydrophobicContact CE2-CG1 4.21Å; F311-H352 VanDerWaalsContact CA-CE1 3.46Å; F311-H352 WeakPolarHBondContact CA-CE1 3.37Å; F311-H352 HydrophobicContact CD2-CB 4.31Å; F311-H352 AromaticContact CD2-CG 3.84Å; F311-H352 AromaticContact CD2-ND1 3.39Å; F311-H352 WeakPolarHBondContact CD2-ND1 3.37Å; F311-H352 AromaticContact CG-ND1 3.86Å; F311-H352 PolarHBondContact N-CE1 2.86Å; F311-F354 HydrophobicContact CB-CB 3.97Å; F311-F354 HydrophobicContact CB-CD1 4.46Å; F311-F354 HydrophobicContact CB-CG 4.16Å; F311-F354 AromaticContact CD1-CD1 3.65Å; F311-F354 HydrophobicContact CD1-CD1 3.65Å; F311-F354 AromaticContact CD1-CE1 3.9Å; F311-F354 HydrophobicContact CD1-CE1 3.9Å; F311-F354 HydrophobicContact CD1-CG 4.17Å; F311-F354 HydrophobicContact CD2-CD1 4.49Å; F311-F354 AromaticContact CE1-CD1 3.93Å; F311-F354 HydrophobicContact CE1-CD1 3.93Å; F311-F354 AromaticContact CE1-CE1 3.99Å; F311-F354 HydrophobicContact CE1-CE1 3.99Å; F311-F354 HydrophobicContact CG-CB 4.15Å; F311-F354 AromaticContact CG-CD1 3.96Å; F311-F354 HydrophobicContact CG-CD1 3.96Å; F311-F354 HydrophobicContact CG-CG 4.15Å; F311-F354 HydrophobicContact CZ-CD1 4.44Å; F311-F355 HydrophobicContact CD2-CE2 4.43Å; F311-F355 HydrophobicContact CE1-CE2 4.28Å; F311-F355 AromaticContact CE1-CZ 4Å; F311-F355 HydrophobicContact CE1-CZ 4Å; F311-F355 HydrophobicContact CE2-CD2 4.4Å; F311-F355 AromaticContact CE2-CE2 3.54Å; F311-F355 HydrophobicContact CE2-CE2 3.54Å; F311-F355 HydrophobicContact CE2-CZ 4.09Å; F311-F355 AromaticContact CZ-CE2 3.44Å; F311-F355 HydrophobicContact CZ-CE2 3.44Å; F311-F355 VanDerWaalsContact CZ-CE2 3.44Å; F311-F355 AromaticContact CZ-CZ 3.5Å; F311-F355 HydrophobicContact CZ-CZ 3.5Å; F311-F355 VanDerWaalsContact CZ-CZ 3.5Å |
| 312 | I | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.8 | -64.6 | 168.1 | 0 | 0 | 0 | 110.2 | A266 Y267 F270 F271 I297 I304 T308 L310 D314 L315 L316 | A266-I312 HydrophobicContact CB-CG1 4.14Å; Y267-I312 HydrophobicContact CD2-CG2 4.22Å; F270-I312 HydrophobicContact CD2-CD1 4.13Å; F271-I312 HydrophobicContact CE2-CD1 4.36Å; I297-I312 HydrophobicContact CD1-CG2 4.45Å; I304-I312 HydrophobicContact CD1-CD1 4.23Å; T308-I312 HydrophobicContact CG2-CD1 4.06Å; T308-I312 WeakPolarHBondContact O-CG1 3.37Å; T308-I312 PolarHBondContact O-N 3.36Å; L310-I312 PolarHBondContact O-N 3.43Å; I312-D314 VanDerWaalsContact C-N 3.31Å; I312-D314 PolarHBondContact O-N 3.1Å; I312-L315 PolarHBondContact O-N 3.17Å; I312-L316 HydrophobicContact CG2-CD1 3.8Å; I312-L316 HydrophobicContact CG2-CG 4.39Å; I312-L316 WeakPolarHBondContact O-CB 3.31Å; I312-L316 WeakPolarHBondContact O-CG 3.24Å; I312-L316 PolarHBondContact O-N 3.07Å |
| 313 | K | 96.3 | Very high | 94.6 | Very high | 81 Ų | 81 | 44.5 Ų | 44.5 | 35% | 0.352 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -26.2 | 178.4 | -73.5 | 171.8 | -175.6 | 170.7 | 0 | 113.8 | E309 L310 F311 K317 | E309-K313 HydrophobicContact CG-CD 4.39Å; E309-K313 WeakPolarHBondContact O-CB 3.31Å; E309-K313 WeakPolarHBondContact O-CD 3.2Å; E309-K313 VanDerWaalsContact O-CG 3.23Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 3.27Å; E309-K313 VanDerWaalsContact O-N 3.15Å; E309-K313 VanDerWaalsContact OE1-CE 3.3Å; E309-K313 WeakPolarHBondContact OE1-CE 3.25Å; E309-K313 IonicContact OE1-NZ 3.92Å; E309-K313 PolarHBondContact OE1-NZ 3.48Å; E309-K313 IonicContact OE2-NZ 3.84Å; E309-K313 PolarHBondContact OE2-NZ 3.18Å; L310-K313 CarbonylContact O-C 3.37Å; L310-K313 PolarHBondContact O-N 2.88Å; F311-K313 PolarHBondContact O-N 3.23Å; K313-K317 WeakPolarHBondContact O-CD 3.19Å; K313-K317 VanDerWaalsContact O-CE 3.24Å; K313-K317 WeakPolarHBondContact O-CE 3.34Å; K313-K317 WeakPolarHBondContact O-CG 3.19Å |
| 314 | D | 96.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -83.8 | -25.4 | 179.1 | -81.2 | 3.3 | 0 | 0 | 0 | 112.7 | L310 F311 I312 K317 L323 | L310-D314 WeakPolarHBondContact O-CB 3.26Å; L310-D314 PolarHBondContact O-N 3.36Å; F311-D314 PolarHBondContact O-N 3.42Å; I312-D314 VanDerWaalsContact C-N 3.31Å; I312-D314 PolarHBondContact O-N 3.1Å; D314-K317 IonicContact OD1-NZ 2.85Å; D314-K317 PolarHBondContact OD1-NZ 3.4Å; D314-L323 HydrophobicContact CB-CB 4.14Å; D314-L323 HydrophobicContact CB-CD2 4.42Å; D314-L323 PolarHBondContact O-N 3.38Å |
| 315 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -84.9 | -35.2 | 169.9 | -66.2 | 175.5 | 0 | 0 | 0 | 113.3 | W259 L262 F311 I312 K317 R322 L323 | W259-L315 HydrophobicContact CB-CD2 4.05Å; L262-L315 HydrophobicContact CB-CD1 4.4Å; L262-L315 HydrophobicContact CD2-CD1 4.19Å; L262-L315 HydrophobicContact CG-CD1 4.13Å; F311-L315 HydrophobicContact CD1-CD1 4.29Å; F311-L315 HydrophobicContact CD2-CD1 4.26Å; F311-L315 HydrophobicContact CE1-CD1 3.76Å; F311-L315 HydrophobicContact CE2-CD1 3.75Å; F311-L315 HydrophobicContact CE2-CG 4.23Å; F311-L315 HydrophobicContact CZ-CD1 3.48Å; F311-L315 VanDerWaalsContact CZ-CD1 3.48Å; F311-L315 HydrophobicContact CZ-CG 4.43Å; F311-L315 PolarHBondContact O-N 3.32Å; F311-L315 VanDerWaalsContact O-N 3.11Å; I312-L315 PolarHBondContact O-N 3.17Å; L315-K317 PolarHBondContact O-N 3.12Å; L315-R322 WeakPolarHBondContact O-CD 3.46Å; L315-R322 WeakPolarHBondContact O-CG 3.22Å; L315-R322 PolarHBondContact O-NE 3.48Å; L315-L323 HydrophobicContact CD2-CB 4.06Å; L315-L323 HydrophobicContact CD2-CD2 4.2Å; L315-L323 HydrophobicContact CD2-CG 4.43Å |
| 316 | L | 97.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -87.8 | 47.2 | -178.7 | -62 | -175.3 | 0 | 0 | 0 | 113.5 | W260 V264 A275 F276 H291 L295 I312 | W260-L316 HydrophobicContact CD2-CD2 3.88Å; W260-L316 HydrophobicContact CE3-CD2 3.95Å; W260-L316 HydrophobicContact CG-CD2 4.46Å; W260-L316 HydrophobicContact CH2-CD2 4.26Å; W260-L316 HydrophobicContact CZ2-CD2 4.19Å; W260-L316 HydrophobicContact CZ3-CB 4.24Å; W260-L316 HydrophobicContact CZ3-CD2 4.15Å; V264-L316 HydrophobicContact CG2-CD2 3.81Å; A275-L316 HydrophobicContact CB-CD1 4.03Å; F276-L316 HydrophobicContact CE2-CD1 4.06Å; F276-L316 HydrophobicContact CE2-CD2 4.09Å; F276-L316 HydrophobicContact CZ-CD1 4.15Å; H291-L316 PolarHBondContact CD2-O 3.48Å; L295-L316 HydrophobicContact CD1-CD1 3.71Å; L295-L316 HydrophobicContact CD2-CB 3.83Å; L295-L316 HydrophobicContact CD2-CD1 4.16Å; I312-L316 HydrophobicContact CG2-CD1 3.8Å; I312-L316 HydrophobicContact CG2-CG 4.39Å; I312-L316 WeakPolarHBondContact O-CB 3.31Å; I312-L316 WeakPolarHBondContact O-CG 3.24Å; I312-L316 PolarHBondContact O-N 3.07Å |
| 317 | K | 95 | Very high | 95.1 | Very high | 75 Ų | 75 | 36.9 Ų | 36.9 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -111.1 | 169.3 | 177.3 | -86.1 | 167.5 | -176.4 | 171.3 | 0 | 113 | K313 D314 L315 T321 R322 | K313-K317 WeakPolarHBondContact O-CD 3.19Å; K313-K317 VanDerWaalsContact O-CE 3.24Å; K313-K317 WeakPolarHBondContact O-CE 3.34Å; K313-K317 WeakPolarHBondContact O-CG 3.19Å; D314-K317 IonicContact OD1-NZ 2.85Å; D314-K317 PolarHBondContact OD1-NZ 3.4Å; L315-K317 PolarHBondContact O-N 3.12Å; K317-T321 VanDerWaalsContact CD-O 3.31Å; K317-T321 WeakPolarHBondContact CD-O 3.21Å; K317-R322 HydrophobicContact CB-CB 4.31Å; K317-R322 VanDerWaalsContact O-CZ 3.27Å; K317-R322 PolarHBondContact O-NE 3.01Å; K317-R322 PolarHBondContact O-NH2 3.5Å |
| 318 | S | 92.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 28% | 0.28 | 19% | 0.194 | S | C | . | . | trans | -56.9 | 143.8 | 166.2 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | H291 T320 T321 R322 | H291-S318 PolarHBondContact NE2-N 3.42Å; S318-T320 PolarHBondContact O-N 3.28Å; S318-T321 PolarHBondContact O-N 3.08Å; S318-T321 PolarHBondContact O-OG1 3.05Å; S318-T321 PolarHBondContact OG-OG1 3.45Å; S318-R322 PolarHBondContact O-N 2.97Å; S318-R322 VanDerWaalsContact O-N 3.13Å | ||
| 319 | S | 92.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.5 | -169.3 | -167.1 | 0 | 0 | 0 | 0 | 115.9 | S325 | S319-S325 WeakPolarHBondContact O-CB 3.38Å; S319-S325 PolarHBondContact O-OG 3.19Å |
| 320 | T | 91 | Very high | 94.6 | Very high | 82 Ų | 82 | 37.5 Ų | 37.5 | 50% | 0.503 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -13 | 179.8 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | S318 D327 | S318-T320 PolarHBondContact O-N 3.28Å; T320-D327 WeakPolarHBondContact CA-OD2 3.34Å; T320-D327 WeakPolarHBondContact CG2-OD2 3.47Å |
| 321 | T | 94.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 40.5 Ų | 40.5 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 6.9 | -177.9 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | K317 S318 | K317-T321 VanDerWaalsContact CD-O 3.31Å; K317-T321 WeakPolarHBondContact CD-O 3.21Å; S318-T321 PolarHBondContact O-N 3.08Å; S318-T321 PolarHBondContact O-OG1 3.05Å; S318-T321 PolarHBondContact OG-OG1 3.45Å |
| 322 | R | 97 | Very high | 94 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -78.5 | 137.2 | 178.7 | -169.2 | 177.5 | -55.1 | 143.5 | 3.5 | 111.3 | E242 A256 L315 K317 S318 G324 S325 L328 | E242-R322 IonicContact OE1-CZ 2.7Å; E242-R322 IonicContact OE1-NH1 3.41Å; E242-R322 PolarHBondContact OE1-NH1 3.26Å; E242-R322 IonicContact OE1-NH2 2.88Å; E242-R322 IonicContact OE2-CZ 3.33Å; E242-R322 IonicContact OE2-NH1 2.68Å; E242-R322 PolarHBondContact OE2-NH1 2.94Å; E242-R322 IonicContact OE2-NH2 3.17Å; E242-R322 PolarHBondContact OE2-NH2 3.04Å; A256-R322 VanDerWaalsContact C-NH1 3.31Å; A256-R322 WeakPolarHBondContact O-CD 3.4Å; A256-R322 PolarHBondContact O-NH1 2.77Å; L315-R322 WeakPolarHBondContact O-CD 3.46Å; L315-R322 WeakPolarHBondContact O-CG 3.22Å; L315-R322 PolarHBondContact O-NE 3.48Å; K317-R322 HydrophobicContact CB-CB 4.31Å; K317-R322 VanDerWaalsContact O-CZ 3.27Å; K317-R322 PolarHBondContact O-NE 3.01Å; K317-R322 PolarHBondContact O-NH2 3.5Å; S318-R322 PolarHBondContact O-N 2.97Å; S318-R322 VanDerWaalsContact O-N 3.13Å; R322-G324 PolarHBondContact O-N 3.07Å; R322-S325 WeakPolarHBondContact O-CB 3.3Å; R322-S325 PolarHBondContact O-N 3.45Å; R322-L328 VanDerWaalsContact O-CD1 3.29Å; R322-L328 WeakPolarHBondContact O-CD1 3.31Å |
| 323 | L | 96.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131.5 | 171.4 | -177.9 | 69.2 | 0 | 0 | 0 | 110.3 | F311 D314 L315 S325 Q348 V349 H352 | F311-L323 HydrophobicContact CD2-CD2 4.06Å; F311-L323 HydrophobicContact CE2-CD2 3.98Å; D314-L323 HydrophobicContact CB-CB 4.14Å; D314-L323 HydrophobicContact CB-CD2 4.42Å; D314-L323 PolarHBondContact O-N 3.38Å; L315-L323 HydrophobicContact CD2-CB 4.06Å; L315-L323 HydrophobicContact CD2-CD2 4.2Å; L315-L323 HydrophobicContact CD2-CG 4.43Å; L323-S325 VanDerWaalsContact C-N 3.33Å; L323-Q348 HydrophobicContact CD1-CG 3.94Å; L323-V349 HydrophobicContact CD2-CG1 4.46Å; L323-V349 HydrophobicContact CG-CG2 4.06Å; L323-H352 HydrophobicContact CD2-CB 4.08Å |
| 324 | G | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 8.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | W259 R322 A345 | W259-G324 PolarHBondContact NE1-O 3.3Å; R322-G324 PolarHBondContact O-N 3.07Å; G324-A345 WeakPolarHBondContact O-CB 3.49Å |
| 325 | S | 94.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | trans | -75.7 | 140.8 | 169 | -175.9 | 0 | 0 | 0 | 0 | 112 | S319 R322 L323 D327 L328 | S319-S325 WeakPolarHBondContact O-CB 3.38Å; S319-S325 PolarHBondContact O-OG 3.19Å; R322-S325 WeakPolarHBondContact O-CB 3.3Å; R322-S325 PolarHBondContact O-N 3.45Å; L323-S325 VanDerWaalsContact C-N 3.33Å; S325-D327 PolarHBondContact O-N 3.04Å; S325-D327 PolarHBondContact OG-N 2.77Å; S325-L328 PolarHBondContact O-N 2.66Å | ||
| 326 | F | 93.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -64.1 | -22.7 | 173.8 | -67 | -10.8 | 0 | 0 | 0 | 113 | Y226 P255 L328 L329 R341 A345 | Y226-F326 HydrophobicContact CE2-CD2 4.4Å; P255-F326 HydrophobicContact CB-CZ 4.49Å; P255-F326 HydrophobicContact CG-CE1 4.48Å; P255-F326 HydrophobicContact CG-CE2 4.09Å; P255-F326 HydrophobicContact CG-CZ 3.76Å; F326-L328 PolarHBondContact O-N 3.28Å; F326-L329 HydrophobicContact CD1-CD1 3.8Å; F326-L329 HydrophobicContact CG-CD1 4.49Å; F326-L329 PolarHBondContact O-N 3.13Å; F326-R341 HydrophobicContact CD1-CB 4.06Å; F326-R341 HydrophobicContact CD2-CB 4.41Å; F326-R341 VanDerWaalsContact CE1-C 3.5Å; F326-R341 HydrophobicContact CE1-CB 3.79Å; F326-R341 VanDerWaalsContact CE1-O 3.26Å; F326-R341 WeakPolarHBondContact CE1-O 3.34Å; F326-R341 HydrophobicContact CE2-CB 4.15Å; F326-R341 HydrophobicContact CG-CB 4.37Å; F326-R341 HydrophobicContact CZ-CB 3.82Å; F326-A345 HydrophobicContact CD1-CB 3.99Å; F326-A345 HydrophobicContact CE1-CB 3.8Å |
| 327 | D | 90.7 | Very high | 92.5 | Very high | 91 Ų | 91 | 57 Ų | 57 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -71.8 | -16.4 | 177.5 | -59.7 | -45.6 | 0 | 0 | 0 | 113.1 | T320 S325 | T320-D327 WeakPolarHBondContact CA-OD2 3.34Å; T320-D327 WeakPolarHBondContact CG2-OD2 3.47Å; S325-D327 PolarHBondContact O-N 3.04Å; S325-D327 PolarHBondContact OG-N 2.77Å |
| 328 | L | 91.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -95.2 | -5.6 | 176.4 | -64.7 | -173.4 | 0 | 0 | 0 | 113.9 | R322 S325 F326 | R322-L328 VanDerWaalsContact O-CD1 3.29Å; R322-L328 WeakPolarHBondContact O-CD1 3.31Å; S325-L328 PolarHBondContact O-N 2.66Å; F326-L328 PolarHBondContact O-N 3.28Å |
| 329 | L | 92.1 | Very high | 92 | Very high | 22 Ų | 22 | 66 Ų | 66 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | trans | -80.7 | 125.7 | -173.1 | -67.6 | 179.7 | 0 | 0 | 0 | 112.6 | F326 I334 R341 A344 A345 | F326-L329 HydrophobicContact CD1-CD1 3.8Å; F326-L329 HydrophobicContact CG-CD1 4.49Å; F326-L329 PolarHBondContact O-N 3.13Å; L329-I334 HydrophobicContact CB-CD1 3.99Å; L329-I334 HydrophobicContact CB-CG1 4.02Å; L329-I334 HydrophobicContact CD1-CG1 4.23Å; L329-R341 HydrophobicContact CD1-CB 4.28Å; L329-A344 HydrophobicContact CD1-CB 3.83Å; L329-A344 HydrophobicContact CD2-CB 3.95Å; L329-A345 HydrophobicContact CD1-CB 4.41Å | ||
| 330 | T | 92 | Very high | 91.9 | Very high | 68 Ų | 68 | 66.9 Ų | 66.9 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | trans | -77.1 | 156.8 | 169.3 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | I332 E333 I334 | T330-I332 PolarHBondContact O-N 3.23Å; T330-I332 VanDerWaalsContact O-N 3.11Å; T330-I332 PolarHBondContact OG1-N 3.32Å; T330-E333 VanDerWaalsContact CB-OE2 3.23Å; T330-E333 WeakPolarHBondContact CB-OE2 3.46Å; T330-E333 WeakPolarHBondContact CG2-OE2 3.44Å; T330-E333 PolarHBondContact N-OE2 2.91Å; T330-E333 PolarHBondContact O-N 3.41Å; T330-E333 PolarHBondContact OG1-N 3.5Å; T330-E333 PolarHBondContact OG1-OE2 3.27Å; T330-I334 WeakPolarHBondContact O-CG1 3.48Å; T330-I334 PolarHBondContact O-N 2.95Å; T330-I334 VanDerWaalsContact O-N 3.14Å | ||
| 331 | E | 90.3 | Very high | 92 | Very high | 137 Ų | 137 | 68.5 Ų | 68.5 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.3 | -25.5 | 170.3 | -76.3 | -168.2 | -148.8 | 0 | 0 | 113.4 | K335 | E331-K335 WeakPolarHBondContact O-CB 3.08Å; E331-K335 VanDerWaalsContact O-CD 3.26Å; E331-K335 WeakPolarHBondContact O-CD 3.39Å; E331-K335 WeakPolarHBondContact O-CG 3.37Å; E331-K335 PolarHBondContact O-N 2.87Å; E331-K335 VanDerWaalsContact O-N 3.07Å; E331-K335 IonicContact OE2-NZ 2.79Å; E331-K335 PolarHBondContact OE2-NZ 2.88Å |
| 332 | I | 91.9 | Very high | 91.9 | Very high | 136 Ų | 136 | 65.5 Ų | 65.5 | 70% | 0.697 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -74.2 | -47 | -178.3 | -59.4 | 176.6 | 0 | 0 | 0 | 109.9 | T330 K335 S336 | T330-I332 PolarHBondContact O-N 3.23Å; T330-I332 VanDerWaalsContact O-N 3.11Å; T330-I332 PolarHBondContact OG1-N 3.32Å; I332-K335 PolarHBondContact O-N 3.5Å; I332-S336 WeakPolarHBondContact O-CB 3.15Å; I332-S336 PolarHBondContact O-N 2.69Å |
| 333 | E | 91.7 | Very high | 91.8 | Very high | 60 Ų | 60 | 66.8 Ų | 66.8 | 28% | 0.28 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.4 | -69.6 | 154.4 | 116.2 | 0 | 0 | 111.1 | T330 K335 S336 A337 A344 | T330-E333 VanDerWaalsContact CB-OE2 3.23Å; T330-E333 WeakPolarHBondContact CB-OE2 3.46Å; T330-E333 WeakPolarHBondContact CG2-OE2 3.44Å; T330-E333 PolarHBondContact N-OE2 2.91Å; T330-E333 PolarHBondContact O-N 3.41Å; T330-E333 PolarHBondContact OG1-N 3.5Å; T330-E333 PolarHBondContact OG1-OE2 3.27Å; E333-K335 PolarHBondContact O-N 2.87Å; E333-S336 WeakPolarHBondContact O-CB 3.44Å; E333-S336 PolarHBondContact O-N 3.14Å; E333-A337 WeakPolarHBondContact O-CB 3.37Å; E333-A337 PolarHBondContact O-N 3.3Å; E333-A344 HydrophobicContact CB-CB 4.48Å |
| 334 | I | 90.9 | Very high | 91.8 | Very high | 34 Ų | 34 | 66.1 Ų | 66.1 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 177.4 | -66.1 | 168.9 | 0 | 0 | 0 | 111 | L329 T330 A337 N339 R341 A344 | L329-I334 HydrophobicContact CB-CD1 3.99Å; L329-I334 HydrophobicContact CB-CG1 4.02Å; L329-I334 HydrophobicContact CD1-CG1 4.23Å; T330-I334 WeakPolarHBondContact O-CG1 3.48Å; T330-I334 PolarHBondContact O-N 2.95Å; T330-I334 VanDerWaalsContact O-N 3.14Å; I334-A337 CarbonylContact O-C 3.47Å; I334-A337 PolarHBondContact O-N 3.33Å; I334-N339 WeakPolarHBondContact O-CA 3.25Å; I334-N339 PolarHBondContact O-N 2.82Å; I334-R341 HydrophobicContact CD1-CG 4.39Å; I334-R341 HydrophobicContact CG1-CG 4.43Å; I334-A344 HydrophobicContact CG1-CB 4.35Å |
| 335 | K | 90.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 66.1 Ų | 66.1 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 178.2 | -71.8 | 164.6 | -163.9 | 169.2 | 0 | 112.1 | E331 I332 E333 A337 K338 | E331-K335 WeakPolarHBondContact O-CB 3.08Å; E331-K335 VanDerWaalsContact O-CD 3.26Å; E331-K335 WeakPolarHBondContact O-CD 3.39Å; E331-K335 WeakPolarHBondContact O-CG 3.37Å; E331-K335 PolarHBondContact O-N 2.87Å; E331-K335 VanDerWaalsContact O-N 3.07Å; E331-K335 IonicContact OE2-NZ 2.79Å; E331-K335 PolarHBondContact OE2-NZ 2.88Å; I332-K335 PolarHBondContact O-N 3.5Å; E333-K335 PolarHBondContact O-N 2.87Å; K335-A337 VanDerWaalsContact C-N 3.27Å; K335-A337 PolarHBondContact O-N 2.9Å; K335-K338 PolarHBondContact O-N 3.48Å; K335-K338 VanDerWaalsContact O-N 3.13Å |
| 336 | S | 89.8 | Confident | 92 | Very high | 104 Ų | 104 | 66 Ų | 66 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.3 | -35.8 | 173.5 | -166.2 | 0 | 0 | 0 | 0 | 112.1 | I332 E333 K338 | I332-S336 WeakPolarHBondContact O-CB 3.15Å; I332-S336 PolarHBondContact O-N 2.69Å; E333-S336 WeakPolarHBondContact O-CB 3.44Å; E333-S336 PolarHBondContact O-N 3.14Å; S336-K338 PolarHBondContact O-N 3.02Å |
| 337 | A | 90.2 | Very high | 92.1 | Very high | 13 Ų | 13 | 69.8 Ų | 69.8 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 25 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E333 I334 K335 N339 N340 V343 A344 | E333-A337 WeakPolarHBondContact O-CB 3.37Å; E333-A337 PolarHBondContact O-N 3.3Å; I334-A337 CarbonylContact O-C 3.47Å; I334-A337 PolarHBondContact O-N 3.33Å; K335-A337 VanDerWaalsContact C-N 3.27Å; K335-A337 PolarHBondContact O-N 2.9Å; A337-N339 PolarHBondContact O-N 2.87Å; A337-N339 VanDerWaalsContact O-N 3.16Å; A337-N340 WeakPolarHBondContact CB-O 3.4Å; A337-N340 WeakPolarHBondContact O-CB 3.43Å; A337-N340 PolarHBondContact O-N 3.5Å; A337-V343 HydrophobicContact CB-CB 4.13Å; A337-V343 HydrophobicContact CB-CG1 4.01Å; A337-A344 HydrophobicContact CB-CB 3.7Å |
| 338 | K | 90.6 | Very high | 92.3 | Very high | 191 Ų | 191 | 66.6 Ų | 66.6 | 83% | 0.83 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 29.7 | -178.7 | -54.1 | 172.8 | -174.8 | 165.8 | 0 | 113.9 | K335 S336 N340 | K335-K338 PolarHBondContact O-N 3.48Å; K335-K338 VanDerWaalsContact O-N 3.13Å; S336-K338 PolarHBondContact O-N 3.02Å; K338-N340 VanDerWaalsContact C-N 3.3Å |
| 339 | N | 87.2 | Confident | 92.6 | Very high | 115 Ų | 115 | 63.1 Ų | 63.1 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 8.3 | -172.5 | -47.3 | -65.2 | 0 | 0 | 0 | 115.8 | I334 A337 R341 | I334-N339 WeakPolarHBondContact O-CA 3.25Å; I334-N339 PolarHBondContact O-N 2.82Å; A337-N339 PolarHBondContact O-N 2.87Å; A337-N339 VanDerWaalsContact O-N 3.16Å; N339-R341 PolarHBondContact O-N 2.91Å |
| 340 | N | 90.2 | Very high | 92.8 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | trans | -83.6 | 110.5 | 172.3 | -171.1 | -12.1 | 0 | 0 | 0 | 110.7 | E189 A337 K338 A342 V343 A344 | E189-N340 WeakPolarHBondContact CG-ND2 3.4Å; E189-N340 PolarHBondContact OE1-ND2 3.39Å; A337-N340 WeakPolarHBondContact CB-O 3.4Å; A337-N340 WeakPolarHBondContact O-CB 3.43Å; A337-N340 PolarHBondContact O-N 3.5Å; K338-N340 VanDerWaalsContact C-N 3.3Å; N340-A342 VanDerWaalsContact C-N 3.33Å; N340-A342 PolarHBondContact O-N 3.3Å; N340-A342 WeakPolarHBondContact OD1-CB 3.19Å; N340-A342 PolarHBondContact OD1-N 3.4Å; N340-V343 HydrophobicContact CB-CB 4.19Å; N340-V343 HydrophobicContact CB-CG2 4.21Å; N340-V343 WeakPolarHBondContact ND2-CG2 3.19Å; N340-V343 PolarHBondContact O-N 3.13Å; N340-A344 PolarHBondContact O-N 3.17Å | ||
| 341 | R | 93.1 | Very high | 93 | Very high | 115 Ų | 115 | 64 Ų | 64 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -33.5 | 178.6 | -70.1 | -177.8 | 178.9 | 162.6 | -0.8 | 113.2 | D224 F326 L329 I334 N339 A344 A345 | D224-R341 PolarHBondContact O-NH1 3.41Å; F326-R341 HydrophobicContact CD1-CB 4.06Å; F326-R341 HydrophobicContact CD2-CB 4.41Å; F326-R341 VanDerWaalsContact CE1-C 3.5Å; F326-R341 HydrophobicContact CE1-CB 3.79Å; F326-R341 VanDerWaalsContact CE1-O 3.26Å; F326-R341 WeakPolarHBondContact CE1-O 3.34Å; F326-R341 HydrophobicContact CE2-CB 4.15Å; F326-R341 HydrophobicContact CG-CB 4.37Å; F326-R341 HydrophobicContact CZ-CB 3.82Å; L329-R341 HydrophobicContact CD1-CB 4.28Å; I334-R341 HydrophobicContact CD1-CG 4.39Å; I334-R341 HydrophobicContact CG1-CG 4.43Å; N339-R341 PolarHBondContact O-N 2.91Å; R341-A344 PolarHBondContact O-N 2.94Å; R341-A345 WeakPolarHBondContact O-CB 3.38Å; R341-A345 PolarHBondContact O-N 3.5Å |
| 342 | A | 93 | Very high | 93.4 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | H188 N340 A344 A345 A346 | H188-A342 HydrophobicContact CB-CB 3.62Å; H188-A342 WeakPolarHBondContact O-CB 3.18Å; N340-A342 VanDerWaalsContact C-N 3.33Å; N340-A342 PolarHBondContact O-N 3.3Å; N340-A342 WeakPolarHBondContact OD1-CB 3.19Å; N340-A342 PolarHBondContact OD1-N 3.4Å; A342-A344 VanDerWaalsContact C-N 3.35Å; A342-A344 PolarHBondContact O-N 3.43Å; A342-A345 PolarHBondContact O-N 3.29Å; A342-A346 PolarHBondContact O-N 2.79Å |
| 343 | V | 94.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 55 Ų | 55 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | E185 E189 A337 N340 A346 Q347 | E185-V343 HydrophobicContact CG-CG2 4.44Å; E189-V343 HydrophobicContact CB-CG2 4.28Å; E189-V343 HydrophobicContact CG-CG2 4.46Å; E189-V343 WeakPolarHBondContact OE1-CG2 3.38Å; A337-V343 HydrophobicContact CB-CB 4.13Å; A337-V343 HydrophobicContact CB-CG1 4.01Å; N340-V343 HydrophobicContact CB-CB 4.19Å; N340-V343 HydrophobicContact CB-CG2 4.21Å; N340-V343 WeakPolarHBondContact ND2-CG2 3.19Å; N340-V343 PolarHBondContact O-N 3.13Å; V343-A346 PolarHBondContact O-N 3.29Å; V343-Q347 VanDerWaalsContact O-CB 3.23Å; V343-Q347 WeakPolarHBondContact O-CB 3.36Å; V343-Q347 PolarHBondContact O-N 2.68Å |
| 344 | A | 95.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | L329 E333 I334 A337 N340 R341 A342 Q347 Q348 | L329-A344 HydrophobicContact CD1-CB 3.83Å; L329-A344 HydrophobicContact CD2-CB 3.95Å; E333-A344 HydrophobicContact CB-CB 4.48Å; I334-A344 HydrophobicContact CG1-CB 4.35Å; A337-A344 HydrophobicContact CB-CB 3.7Å; N340-A344 PolarHBondContact O-N 3.17Å; R341-A344 PolarHBondContact O-N 2.94Å; A342-A344 VanDerWaalsContact C-N 3.35Å; A342-A344 PolarHBondContact O-N 3.43Å; A344-Q347 PolarHBondContact O-N 2.76Å; A344-Q348 PolarHBondContact O-N 2.6Å |
| 345 | A | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G324 F326 L329 R341 A342 Q347 Q348 V349 | G324-A345 WeakPolarHBondContact O-CB 3.49Å; F326-A345 HydrophobicContact CD1-CB 3.99Å; F326-A345 HydrophobicContact CE1-CB 3.8Å; L329-A345 HydrophobicContact CD1-CB 4.41Å; R341-A345 WeakPolarHBondContact O-CB 3.38Å; R341-A345 PolarHBondContact O-N 3.5Å; A342-A345 PolarHBondContact O-N 3.29Å; A345-Q347 VanDerWaalsContact C-N 3.32Å; A345-Q347 PolarHBondContact O-N 2.68Å; A345-Q348 WeakPolarHBondContact O-CB 3.44Å; A345-Q348 PolarHBondContact O-N 3.41Å; A345-V349 WeakPolarHBondContact O-CG2 3.41Å; A345-V349 PolarHBondContact O-N 3.49Å |
| 346 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E185 W259 A342 V343 Q348 V349 K350 | E185-A346 HydrophobicContact CB-CB 3.63Å; E185-A346 HydrophobicContact CG-CB 3.6Å; E185-A346 WeakPolarHBondContact OE1-CB 3.3Å; W259-A346 HydrophobicContact CH2-CB 4.29Å; W259-A346 HydrophobicContact CZ2-CB 4.23Å; A342-A346 PolarHBondContact O-N 2.79Å; V343-A346 PolarHBondContact O-N 3.29Å; A346-Q348 VanDerWaalsContact C-N 3.31Å; A346-Q348 PolarHBondContact O-N 2.86Å; A346-V349 WeakPolarHBondContact O-CB 3.41Å; A346-V349 PolarHBondContact O-N 2.84Å; A346-V349 VanDerWaalsContact O-N 3.15Å; A346-K350 WeakPolarHBondContact O-CB 3.36Å; A346-K350 VanDerWaalsContact O-CG 3.26Å; A346-K350 WeakPolarHBondContact O-CG 3.39Å; A346-K350 PolarHBondContact O-N 2.8Å |
| 347 | Q | 95.8 | Very high | 94.6 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 176.5 | -170 | 61.6 | 24 | 0 | 0 | 112.7 | V343 A344 A345 K350 S351 | V343-Q347 VanDerWaalsContact O-CB 3.23Å; V343-Q347 WeakPolarHBondContact O-CB 3.36Å; V343-Q347 PolarHBondContact O-N 2.68Å; A344-Q347 PolarHBondContact O-N 2.76Å; A345-Q347 VanDerWaalsContact C-N 3.32Å; A345-Q347 PolarHBondContact O-N 2.68Å; Q347-K350 PolarHBondContact O-N 2.7Å; Q347-S351 WeakPolarHBondContact O-CB 3.48Å; Q347-S351 PolarHBondContact O-N 3.11Å |
| 348 | Q | 95.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 171.1 | -167.7 | -175 | 82.6 | 0 | 0 | 110.9 | L323 A344 A345 A346 K350 S351 | L323-Q348 HydrophobicContact CD1-CG 3.94Å; A344-Q348 PolarHBondContact O-N 2.6Å; A345-Q348 WeakPolarHBondContact O-CB 3.44Å; A345-Q348 PolarHBondContact O-N 3.41Å; A346-Q348 VanDerWaalsContact C-N 3.31Å; A346-Q348 PolarHBondContact O-N 2.86Å; Q348-K350 PolarHBondContact O-N 3.17Å; Q348-S351 PolarHBondContact O-N 3.07Å; Q348-S351 PolarHBondContact O-OG 3.46Å |
| 349 | V | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | V181 W259 F311 L323 A345 A346 S351 H352 F355 | V181-V349 HydrophobicContact CG1-CB 4.46Å; V181-V349 HydrophobicContact CG1-CG1 4.17Å; V181-V349 HydrophobicContact CG2-CG1 3.65Å; W259-V349 HydrophobicContact CD2-CG2 4.03Å; W259-V349 HydrophobicContact CE3-CG2 4.07Å; W259-V349 HydrophobicContact CH2-CG2 4.35Å; W259-V349 HydrophobicContact CZ2-CG2 4.28Å; W259-V349 HydrophobicContact CZ3-CG1 4.34Å; W259-V349 HydrophobicContact CZ3-CG2 4.22Å; F311-V349 HydrophobicContact CE2-CG1 4.21Å; L323-V349 HydrophobicContact CD2-CG1 4.46Å; L323-V349 HydrophobicContact CG-CG2 4.06Å; A345-V349 WeakPolarHBondContact O-CG2 3.41Å; A345-V349 PolarHBondContact O-N 3.49Å; A346-V349 WeakPolarHBondContact O-CB 3.41Å; A346-V349 PolarHBondContact O-N 2.84Å; A346-V349 VanDerWaalsContact O-N 3.15Å; V349-S351 PolarHBondContact O-N 3.16Å; V349-H352 VanDerWaalsContact O-CB 3.27Å; V349-H352 WeakPolarHBondContact O-CB 3.33Å; V349-H352 PolarHBondContact O-N 2.78Å; V349-H352 VanDerWaalsContact O-N 3.14Å; V349-F355 HydrophobicContact CG1-CE2 4.16Å; V349-F355 WeakPolarHBondContact O-CD2 3.47Å |
| 350 | K | 97.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 10% | 0.1 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -30.3 | 177 | -72.1 | 172.6 | 174.1 | 173.9 | 0 | 113.6 | V181 L182 E185 A346 Q347 Q348 H352 W360 | V181-K350 HydrophobicContact CG1-CG 3.81Å; L182-K350 VanDerWaalsContact CD2-CE 3.45Å; E185-K350 IonicContact OE1-NZ 3.04Å; E185-K350 PolarHBondContact OE1-NZ 3.42Å; E185-K350 WeakPolarHBondContact OE2-CE 3.48Å; E185-K350 IonicContact OE2-NZ 2.63Å; E185-K350 PolarHBondContact OE2-NZ 3.47Å; A346-K350 WeakPolarHBondContact O-CB 3.36Å; A346-K350 VanDerWaalsContact O-CG 3.26Å; A346-K350 WeakPolarHBondContact O-CG 3.39Å; A346-K350 PolarHBondContact O-N 2.8Å; Q347-K350 PolarHBondContact O-N 2.7Å; Q348-K350 PolarHBondContact O-N 3.17Å; K350-H352 VanDerWaalsContact C-N 3.25Å; K350-H352 PolarHBondContact O-N 2.9Å; K350-W360 VanDerWaalsContact CA-CZ2 3.5Å; K350-W360 HydrophobicContact CB-CD2 4.4Å; K350-W360 HydrophobicContact CB-CH2 4.21Å; K350-W360 HydrophobicContact CB-CZ2 3.63Å; K350-W360 HydrophobicContact CD-CD2 4.17Å; K350-W360 HydrophobicContact CD-CE3 4.34Å; K350-W360 HydrophobicContact CG-CD2 3.93Å; K350-W360 HydrophobicContact CG-CE3 4.02Å; K350-W360 HydrophobicContact CG-CH2 3.73Å; K350-W360 HydrophobicContact CG-CZ2 3.62Å; K350-W360 HydrophobicContact CG-CZ3 3.92Å |
| 351 | S | 96 | Very high | 95.6 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 60% | 0.601 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -9 | 179.7 | 77.9 | 0 | 0 | 0 | 0 | 114.1 | Q347 Q348 V349 | Q347-S351 WeakPolarHBondContact O-CB 3.48Å; Q347-S351 PolarHBondContact O-N 3.11Å; Q348-S351 PolarHBondContact O-N 3.07Å; Q348-S351 PolarHBondContact O-OG 3.46Å; V349-S351 PolarHBondContact O-N 3.16Å |
| 352 | H | 97.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 7% | 0.069 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -64.9 | 143.2 | -176.8 | -172.3 | -97.7 | 0 | 0 | 0 | 112.8 | E307 F311 L323 V349 K350 F354 F355 | E307-H352 PolarHBondContact O-CE1 3.03Å; F311-H352 VanDerWaalsContact CA-CE1 3.46Å; F311-H352 WeakPolarHBondContact CA-CE1 3.37Å; F311-H352 HydrophobicContact CD2-CB 4.31Å; F311-H352 AromaticContact CD2-CG 3.84Å; F311-H352 AromaticContact CD2-ND1 3.39Å; F311-H352 WeakPolarHBondContact CD2-ND1 3.37Å; F311-H352 AromaticContact CG-ND1 3.86Å; F311-H352 PolarHBondContact N-CE1 2.86Å; L323-H352 HydrophobicContact CD2-CB 4.08Å; V349-H352 VanDerWaalsContact O-CB 3.27Å; V349-H352 WeakPolarHBondContact O-CB 3.33Å; V349-H352 PolarHBondContact O-N 2.78Å; V349-H352 VanDerWaalsContact O-N 3.14Å; K350-H352 VanDerWaalsContact C-N 3.25Å; K350-H352 PolarHBondContact O-N 2.9Å; H352-F354 WeakPolarHBondContact ND1-CB 3.49Å; H352-F354 PolarHBondContact ND1-N 3.1Å; H352-F354 PolarHBondContact O-N 2.87Å; H352-F354 VanDerWaalsContact O-N 3.07Å; H352-F355 PolarHBondContact O-N 2.93Å |
| 353 | V | 97 | Very high | 95.6 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 42% | 0.418 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -58 | -31.9 | -169.1 | -160.3 | 0 | 0 | 0 | 0 | 113.1 | E307 F355 K356 | E307-V353 HydrophobicContact CG-CB 4.1Å; E307-V353 HydrophobicContact CG-CG1 3.76Å; V353-F355 PolarHBondContact O-N 3Å; V353-K356 WeakPolarHBondContact O-CB 3.35Å; V353-K356 PolarHBondContact O-N 3.38Å; V353-K356 VanDerWaalsContact O-N 3.14Å |
| 354 | F | 97.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -53.3 | -36.7 | 173.6 | 177.2 | -111.9 | 0 | 0 | 0 | 113.8 | E170 R174 L177 F270 T308 F311 H352 | E170-F354 HydrophobicContact CG-CE2 3.86Å; R174-F354 HydrophobicContact CB-CE1 3.95Å; R174-F354 HydrophobicContact CB-CE2 4.22Å; R174-F354 HydrophobicContact CB-CZ 3.61Å; R174-F354 WeakPolarHBondContact CD-O 3.48Å; R174-F354 HydrophobicContact CG-CD1 4.21Å; R174-F354 HydrophobicContact CG-CE1 3.78Å; R174-F354 HydrophobicContact CG-CE2 4.37Å; R174-F354 HydrophobicContact CG-CZ 3.87Å; R174-F354 PolarHBondContact NE-O 3.21Å; L177-F354 HydrophobicContact CB-CE1 4.37Å; L177-F354 HydrophobicContact CD1-CE1 3.82Å; L177-F354 HydrophobicContact CD1-CZ 3.9Å; F270-F354 HydrophobicContact CZ-CE2 4.31Å; F270-F354 HydrophobicContact CZ-CZ 4.37Å; T308-F354 HydrophobicContact CG2-CE2 4.2Å; T308-F354 WeakPolarHBondContact OG1-CD2 3.34Å; T308-F354 VanDerWaalsContact OG1-CE2 3.29Å; T308-F354 WeakPolarHBondContact OG1-CE2 2.79Å; F311-F354 HydrophobicContact CB-CB 3.97Å; F311-F354 HydrophobicContact CB-CD1 4.46Å; F311-F354 HydrophobicContact CB-CG 4.16Å; F311-F354 AromaticContact CD1-CD1 3.65Å; F311-F354 HydrophobicContact CD1-CD1 3.65Å; F311-F354 AromaticContact CD1-CE1 3.9Å; F311-F354 HydrophobicContact CD1-CE1 3.9Å; F311-F354 HydrophobicContact CD1-CG 4.17Å; F311-F354 HydrophobicContact CD2-CD1 4.49Å; F311-F354 AromaticContact CE1-CD1 3.93Å; F311-F354 HydrophobicContact CE1-CD1 3.93Å; F311-F354 AromaticContact CE1-CE1 3.99Å; F311-F354 HydrophobicContact CE1-CE1 3.99Å; F311-F354 HydrophobicContact CG-CB 4.15Å; F311-F354 AromaticContact CG-CD1 3.96Å; F311-F354 HydrophobicContact CG-CD1 3.96Å; F311-F354 HydrophobicContact CG-CG 4.15Å; F311-F354 HydrophobicContact CZ-CD1 4.44Å; H352-F354 WeakPolarHBondContact ND1-CB 3.49Å; H352-F354 PolarHBondContact ND1-N 3.1Å; H352-F354 PolarHBondContact O-N 2.87Å; H352-F354 VanDerWaalsContact O-N 3.07Å |
| 355 | F | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -92.1 | 9.1 | -178.4 | -62.9 | -61.4 | 0 | 0 | 0 | 114.2 | R174 L177 A178 V181 F311 V349 H352 V353 S357 I358 W360 | R174-F355 HydrophobicContact CG-CD1 3.9Å; R174-F355 HydrophobicContact CG-CE1 4.31Å; L177-F355 HydrophobicContact CB-CE1 4.09Å; L177-F355 HydrophobicContact CB-CZ 4.15Å; A178-F355 HydrophobicContact CB-CD1 4.05Å; A178-F355 HydrophobicContact CB-CE1 3.86Å; V181-F355 HydrophobicContact CG2-CE2 4.18Å; V181-F355 HydrophobicContact CG2-CZ 4.02Å; F311-F355 HydrophobicContact CD2-CE2 4.43Å; F311-F355 HydrophobicContact CE1-CE2 4.28Å; F311-F355 AromaticContact CE1-CZ 4Å; F311-F355 HydrophobicContact CE1-CZ 4Å; F311-F355 HydrophobicContact CE2-CD2 4.4Å; F311-F355 AromaticContact CE2-CE2 3.54Å; F311-F355 HydrophobicContact CE2-CE2 3.54Å; F311-F355 HydrophobicContact CE2-CZ 4.09Å; F311-F355 AromaticContact CZ-CE2 3.44Å; F311-F355 HydrophobicContact CZ-CE2 3.44Å; F311-F355 VanDerWaalsContact CZ-CE2 3.44Å; F311-F355 AromaticContact CZ-CZ 3.5Å; F311-F355 HydrophobicContact CZ-CZ 3.5Å; F311-F355 VanDerWaalsContact CZ-CZ 3.5Å; V349-F355 HydrophobicContact CG1-CE2 4.16Å; V349-F355 WeakPolarHBondContact O-CD2 3.47Å; H352-F355 PolarHBondContact O-N 2.93Å; V353-F355 PolarHBondContact O-N 3Å; F355-S357 PolarHBondContact O-N 3.06Å; F355-I358 HydrophobicContact CB-CG1 4.24Å; F355-I358 HydrophobicContact CD1-CG1 4.05Å; F355-I358 WeakPolarHBondContact O-CB 3.37Å; F355-I358 PolarHBondContact O-N 3.07Å; F355-W360 HydrophobicContact CB-CH2 4.18Å; F355-W360 HydrophobicContact CB-CZ2 3.54Å; F355-W360 AromaticContact CD1-CH2 3.96Å; F355-W360 HydrophobicContact CD1-CH2 3.96Å; F355-W360 HydrophobicContact CD1-CZ2 4.19Å; F355-W360 AromaticContact CD2-CH2 3.96Å; F355-W360 HydrophobicContact CD2-CH2 3.96Å; F355-W360 AromaticContact CD2-CZ2 3.96Å; F355-W360 HydrophobicContact CD2-CZ2 3.96Å; F355-W360 HydrophobicContact CE1-CH2 4.27Å; F355-W360 HydrophobicContact CE2-CH2 4.26Å; F355-W360 AromaticContact CG-CH2 3.79Å; F355-W360 HydrophobicContact CG-CH2 3.79Å; F355-W360 AromaticContact CG-CZ2 3.66Å; F355-W360 HydrophobicContact CG-CZ2 3.66Å; F355-W360 HydrophobicContact CZ-CH2 4.41Å |
| 356 | K | 94.5 | Very high | 95.4 | Very high | 184 Ų | 184 | 59.6 Ų | 59.6 | 80% | 0.8 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -18.7 | -176.6 | 179.1 | 178.7 | 174.1 | -172.9 | 0 | 115.3 | V353 | V353-K356 WeakPolarHBondContact O-CB 3.35Å; V353-K356 PolarHBondContact O-N 3.38Å; V353-K356 VanDerWaalsContact O-N 3.14Å |
| 357 | S | 93.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -9.1 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 115 | R174 F355 | R174-S357 WeakPolarHBondContact CD-OG 3.29Å; F355-S357 PolarHBondContact O-N 3.06Å |
| 358 | I | 96.2 | Very high | 95.2 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | trans | -83 | 133.5 | -173 | -61.9 | -60.8 | 0 | 0 | 0 | 111.2 | R174 A178 F355 W360 L363 | R174-I358 HydrophobicContact CG-CD1 4.1Å; R174-I358 HydrophobicContact CG-CG1 4.17Å; A178-I358 HydrophobicContact CB-CD1 4.22Å; A178-I358 HydrophobicContact CB-CG1 4.11Å; A178-I358 HydrophobicContact CB-CG2 4.12Å; F355-I358 HydrophobicContact CB-CG1 4.24Å; F355-I358 HydrophobicContact CD1-CG1 4.05Å; F355-I358 WeakPolarHBondContact O-CB 3.37Å; F355-I358 PolarHBondContact O-N 3.07Å; I358-W360 HydrophobicContact CB-CZ2 4.45Å; I358-W360 HydrophobicContact CG2-CD2 3.74Å; I358-W360 HydrophobicContact CG2-CE3 3.99Å; I358-W360 HydrophobicContact CG2-CG 4.1Å; I358-W360 HydrophobicContact CG2-CH2 4.49Å; I358-W360 HydrophobicContact CG2-CZ2 4.25Å; I358-W360 HydrophobicContact CG2-CZ3 4.37Å; I358-L363 HydrophobicContact CD1-CD1 4.43Å; I358-L363 HydrophobicContact CG2-CD1 4.44Å; I358-L363 HydrophobicContact CG2-CD2 4.34Å | ||
| 359 | Q | 94.7 | Very high | 95.3 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | trans | -102.1 | 87.5 | 170.2 | -60.1 | -170.6 | 29.6 | 0 | 0 | 108.6 | E361 Q362 L363 | Q359-E361 PolarHBondContact O-N 2.78Å; Q359-E361 VanDerWaalsContact O-N 3.11Å; Q359-Q362 HydrophobicContact CB-CB 4.2Å; Q359-Q362 PolarHBondContact O-N 3.4Å; Q359-L363 PolarHBondContact O-N 3.38Å | ||
| 360 | W | 95.7 | Very high | 95.2 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -36.6 | -168.5 | -62.9 | 98.8 | 0 | 0 | 0 | 114.2 | A178 V181 L182 K350 F355 I358 Q362 | A178-W360 HydrophobicContact CB-CE3 4.47Å; A178-W360 HydrophobicContact CB-CH2 3.89Å; A178-W360 HydrophobicContact CB-CZ3 3.68Å; A178-W360 WeakPolarHBondContact O-CZ3 3.26Å; V181-W360 HydrophobicContact CB-CH2 4.31Å; V181-W360 HydrophobicContact CB-CZ3 4.13Å; V181-W360 HydrophobicContact CG1-CH2 4.19Å; V181-W360 HydrophobicContact CG1-CZ3 4.1Å; L182-W360 HydrophobicContact CD1-CE3 4.16Å; L182-W360 HydrophobicContact CD2-CE3 3.96Å; L182-W360 HydrophobicContact CG-CE3 3.97Å; L182-W360 HydrophobicContact CG-CZ3 4.26Å; K350-W360 VanDerWaalsContact CA-CZ2 3.5Å; K350-W360 HydrophobicContact CB-CD2 4.4Å; K350-W360 HydrophobicContact CB-CH2 4.21Å; K350-W360 HydrophobicContact CB-CZ2 3.63Å; K350-W360 HydrophobicContact CD-CD2 4.17Å; K350-W360 HydrophobicContact CD-CE3 4.34Å; K350-W360 HydrophobicContact CG-CD2 3.93Å; K350-W360 HydrophobicContact CG-CE3 4.02Å; K350-W360 HydrophobicContact CG-CH2 3.73Å; K350-W360 HydrophobicContact CG-CZ2 3.62Å; K350-W360 HydrophobicContact CG-CZ3 3.92Å; F355-W360 HydrophobicContact CB-CH2 4.18Å; F355-W360 HydrophobicContact CB-CZ2 3.54Å; F355-W360 AromaticContact CD1-CH2 3.96Å; F355-W360 HydrophobicContact CD1-CH2 3.96Å; F355-W360 HydrophobicContact CD1-CZ2 4.19Å; F355-W360 AromaticContact CD2-CH2 3.96Å; F355-W360 HydrophobicContact CD2-CH2 3.96Å; F355-W360 AromaticContact CD2-CZ2 3.96Å; F355-W360 HydrophobicContact CD2-CZ2 3.96Å; F355-W360 HydrophobicContact CE1-CH2 4.27Å; F355-W360 HydrophobicContact CE2-CH2 4.26Å; F355-W360 AromaticContact CG-CH2 3.79Å; F355-W360 HydrophobicContact CG-CH2 3.79Å; F355-W360 AromaticContact CG-CZ2 3.66Å; F355-W360 HydrophobicContact CG-CZ2 3.66Å; F355-W360 HydrophobicContact CZ-CH2 4.41Å; I358-W360 HydrophobicContact CB-CZ2 4.45Å; I358-W360 HydrophobicContact CG2-CD2 3.74Å; I358-W360 HydrophobicContact CG2-CE3 3.99Å; I358-W360 HydrophobicContact CG2-CG 4.1Å; I358-W360 HydrophobicContact CG2-CH2 4.49Å; I358-W360 HydrophobicContact CG2-CZ2 4.25Å; I358-W360 HydrophobicContact CG2-CZ3 4.37Å; W360-Q362 VanDerWaalsContact C-N 3.31Å; W360-Q362 PolarHBondContact O-N 3.48Å |
| 361 | E | 92.4 | Very high | 95 | Very high | 172 Ų | 172 | 67.8 Ų | 67.8 | 80% | 0.804 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -16.1 | 179.2 | -58 | 78.3 | -173.2 | 0 | 0 | 113.8 | Q359 | Q359-E361 PolarHBondContact O-N 2.78Å; Q359-E361 VanDerWaalsContact O-N 3.11Å |
| 362 | Q | 92.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 64.3 Ų | 64.3 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -15.2 | -177.5 | -77.6 | 170 | 89.3 | 0 | 0 | 113.6 | Q359 W360 R364 S365 E366 | Q359-Q362 HydrophobicContact CB-CB 4.2Å; Q359-Q362 PolarHBondContact O-N 3.4Å; W360-Q362 VanDerWaalsContact C-N 3.31Å; W360-Q362 PolarHBondContact O-N 3.48Å; Q362-R364 VanDerWaalsContact C-N 3.26Å; Q362-R364 PolarHBondContact O-N 3.21Å; Q362-R364 VanDerWaalsContact O-N 3.11Å; Q362-S365 CarbonylContact O-C 3.41Å; Q362-S365 WeakPolarHBondContact O-CA 3.39Å; Q362-S365 PolarHBondContact O-N 3.43Å; Q362-S365 PolarHBondContact O-OG 3.47Å; Q362-E366 PolarHBondContact O-N 2.93Å; Q362-E366 VanDerWaalsContact O-N 3.17Å |
| 363 | L | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -49.3 | -41 | -175.3 | -171.6 | 65.1 | 0 | 0 | 0 | 114 | F175 A178 E179 L182 I358 Q359 S365 E366 | F175-L363 HydrophobicContact CD2-CD1 3.61Å; F175-L363 HydrophobicContact CE2-CD1 3.56Å; F175-L363 HydrophobicContact CE2-CG 4.31Å; F175-L363 HydrophobicContact CG-CD1 4.48Å; F175-L363 HydrophobicContact CZ-CD1 4.39Å; A178-L363 HydrophobicContact CB-CD2 3.66Å; E179-L363 HydrophobicContact CG-CD2 3.69Å; E179-L363 HydrophobicContact CG-CG 4.02Å; L182-L363 HydrophobicContact CD1-CD2 4.04Å; I358-L363 HydrophobicContact CD1-CD1 4.43Å; I358-L363 HydrophobicContact CG2-CD1 4.44Å; I358-L363 HydrophobicContact CG2-CD2 4.34Å; Q359-L363 PolarHBondContact O-N 3.38Å; L363-S365 PolarHBondContact O-N 3.05Å; L363-E366 PolarHBondContact O-N 3.4Å |
| 364 | R | 94.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 18% | 0.177 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -67.3 | -10.8 | 177.1 | -163.2 | 66.8 | -165.3 | 170.8 | 15.3 | 114.4 | W132 D205 L210 Q362 | W132-R364 HydrophobicContact CH2-CB 3.67Å; W132-R364 HydrophobicContact CH2-CG 4.03Å; W132-R364 HydrophobicContact CZ2-CB 3.77Å; W132-R364 HydrophobicContact CZ2-CG 4.17Å; W132-R364 VanDerWaalsContact CZ3-CD 3.48Å; D205-R364 IonicContact OD2-CZ 2.79Å; D205-R364 IonicContact OD2-NH2 3.95Å; D205-R364 PolarHBondContact OD2-NH2 3.29Å; L210-R364 PolarHBondContact O-NH1 3.5Å; Q362-R364 VanDerWaalsContact C-N 3.26Å; Q362-R364 PolarHBondContact O-N 3.21Å; Q362-R364 VanDerWaalsContact O-N 3.11Å |
| 365 | S | 93.4 | Very high | 94.1 | Very high | 95 Ų | 95 | 74.1 Ų | 74.1 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -117.5 | -5.9 | -179.5 | 69.2 | 0 | 0 | 0 | 0 | 114 | Q362 L363 | Q362-S365 CarbonylContact O-C 3.41Å; Q362-S365 WeakPolarHBondContact O-CA 3.39Å; Q362-S365 PolarHBondContact O-N 3.43Å; Q362-S365 PolarHBondContact O-OG 3.47Å; L363-S365 PolarHBondContact O-N 3.05Å |
| 366 | E | 93 | Very high | 93.8 | Very high | 76 Ų | 76 | 76.5 Ų | 76.5 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -70.9 | 159.2 | 166 | -66.5 | -179.1 | -158.9 | 0 | 0 | 109.7 | H209 Q362 L363 A368 | H209-E366 PolarHBondContact CE1-O 2.98Å; H209-E366 PolarHBondContact NE2-O 3.34Å; Q362-E366 PolarHBondContact O-N 2.93Å; Q362-E366 VanDerWaalsContact O-N 3.17Å; L363-E366 PolarHBondContact O-N 3.4Å; E366-A368 PolarHBondContact O-N 2.91Å |
| 367 | N | 93.4 | Very high | 93.6 | Very high | 141 Ų | 141 | 73.6 Ų | 73.6 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 120.2 | 174.3 | -64.2 | -81.5 | 0 | 0 | 0 | 109 | ||
| 368 | A | 96.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 142 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F175 G208 E366 Q371 | F175-A368 HydrophobicContact CE1-CB 3.88Å; F175-A368 HydrophobicContact CZ-CB 3.88Å; G208-A368 VanDerWaalsContact C-CB 3.46Å; G208-A368 WeakPolarHBondContact O-CB 3.35Å; E366-A368 PolarHBondContact O-N 2.91Å; A368-Q371 WeakPolarHBondContact O-CG 3.25Å; A368-Q371 PolarHBondContact O-NE2 3.48Å |
| 369 | P | 96.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -75.2 | -30.1 | -171.4 | 29.8 | -35.2 | 0 | 0 | 0 | 112.6 | I172 F175 Y176 | I172-P369 HydrophobicContact CG1-CB 4.21Å; I172-P369 HydrophobicContact CG2-CG 4.43Å; F175-P369 HydrophobicContact CB-CG 4.02Å; F175-P369 HydrophobicContact CD1-CG 3.91Å; F175-P369 HydrophobicContact CG-CG 3.93Å; Y176-P369 HydrophobicContact CE2-CG 3.88Å |
| 370 | I | 95.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -95.5 | 125.9 | 165.4 | -59 | 177.3 | 0 | 0 | 0 | 107.3 | W161 Y165 F168 I172 Y176 G208 P372 | W161-I370 HydrophobicContact CB-CD1 3.99Å; W161-I370 HydrophobicContact CD2-CD1 4.33Å; W161-I370 HydrophobicContact CD2-CG2 3.6Å; W161-I370 HydrophobicContact CE3-CD1 4.25Å; W161-I370 HydrophobicContact CE3-CG2 3.43Å; W161-I370 VanDerWaalsContact CE3-CG2 3.43Å; W161-I370 HydrophobicContact CG-CD1 4.23Å; W161-I370 HydrophobicContact CG-CG2 4.35Å; W161-I370 HydrophobicContact CH2-CG2 3.59Å; W161-I370 HydrophobicContact CZ2-CG2 3.83Å; W161-I370 HydrophobicContact CZ3-CG2 3.38Å; Y165-I370 HydrophobicContact CD2-CD1 4.37Å; Y165-I370 HydrophobicContact CE2-CD1 3.95Å; Y165-I370 HydrophobicContact CE2-CG1 4.14Å; F168-I370 HydrophobicContact CE1-CD1 4.09Å; F168-I370 HydrophobicContact CZ-CD1 4.03Å; I172-I370 HydrophobicContact CG2-CD1 4.21Å; I172-I370 HydrophobicContact CG2-CG1 4.33Å; Y176-I370 HydrophobicContact CE2-CB 4.36Å; Y176-I370 HydrophobicContact CE2-CD1 3.89Å; Y176-I370 HydrophobicContact CE2-CG1 4.03Å; Y176-I370 WeakPolarHBondContact OH-CB 3.27Å; G208-I370 WeakPolarHBondContact CA-O 3.49Å; I370-P372 WeakPolarHBondContact O-CD 3.26Å |
| 371 | Q | 93.7 | Very high | 92.8 | Very high | 127 Ų | 127 | 68.9 Ų | 68.9 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | trans | -113.9 | 100.2 | 176.9 | -65.1 | -176.7 | 2.6 | 0 | 0 | 109.1 | A368 I373 | A368-Q371 WeakPolarHBondContact O-CG 3.25Å; A368-Q371 PolarHBondContact O-NE2 3.48Å; Q371-I373 PolarHBondContact O-N 3.24Å | ||
| 372 | P | 93.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.078 | 33% | 0.333 | C | S | . | . | trans | -61.4 | 132.8 | -179.9 | -24.6 | 35.1 | 0 | 0 | 0 | 112.1 | W161 L204 G208 I370 V374 | W161-P372 HydrophobicContact CZ2-CB 3.92Å; W161-P372 HydrophobicContact CZ2-CG 3.96Å; L204-P372 HydrophobicContact CB-CG 4.48Å; G208-P372 VanDerWaalsContact CA-CD 3.44Å; I370-P372 WeakPolarHBondContact O-CD 3.26Å; P372-V374 HydrophobicContact CB-CG2 4.17Å; P372-V374 PolarHBondContact O-N 3.44Å | ||
| 373 | I | 93.2 | Very high | 92.5 | Very high | 121 Ų | 121 | 57.8 Ų | 57.8 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | trans | -77.6 | 112.1 | 171.5 | -58.2 | 178 | 0 | 0 | 0 | 107.2 | Q371 N382 | Q371-I373 PolarHBondContact O-N 3.24Å; I373-N382 PolarHBondContact O-ND2 2.89Å; I373-N382 VanDerWaalsContact O-ND2 3.08Å | ||
| 374 | V | 91.4 | Very high | 91.7 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | trans | -119.4 | 103.7 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | P154 P372 S376 D379 | P154-V374 HydrophobicContact CB-CG1 3.75Å; P154-V374 HydrophobicContact CB-CG2 3.87Å; P154-V374 HydrophobicContact CG-CG1 4.08Å; P154-V374 HydrophobicContact CG-CG2 4.06Å; P372-V374 HydrophobicContact CB-CG2 4.17Å; P372-V374 PolarHBondContact O-N 3.44Å; V374-S376 VanDerWaalsContact CG1-O 3.32Å; V374-S376 WeakPolarHBondContact CG1-O 3.28Å; V374-D379 HydrophobicContact CG1-CB 4.34Å | ||
| 375 | N | 91.1 | Very high | 91 | Very high | 128 Ų | 128 | 61.3 Ų | 61.3 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | trans | -81.8 | -15.5 | -172.9 | -58.2 | -88.3 | 0 | 0 | 0 | 113.1 | D379 | N375-D379 VanDerWaalsContact CB-OD2 3.24Å; N375-D379 WeakPolarHBondContact CB-OD2 3.27Å; N375-D379 PolarHBondContact N-OD2 3.32Å; N375-D379 PolarHBondContact ND2-OD2 3.26Å | ||
| 376 | S | 91.2 | Very high | 89.8 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -162.6 | 165.4 | 175.6 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | V374 T378 D379 | V374-S376 VanDerWaalsContact CG1-O 3.32Å; V374-S376 WeakPolarHBondContact CG1-O 3.28Å; S376-T378 PolarHBondContact O-N 3.04Å; S376-T378 PolarHBondContact OG-N 2.88Å; S376-T378 PolarHBondContact OG-OG1 3.29Å; S376-D379 WeakPolarHBondContact O-CB 3.29Å; S376-D379 PolarHBondContact O-N 2.99Å; S376-D379 PolarHBondContact OG-N 3Å; S376-D379 VanDerWaalsContact OG-N 3.15Å |
| 377 | E | 88.4 | Confident | 88.5 | Confident | 123 Ų | 123 | 60.6 Ų | 60.6 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -15.1 | 170.7 | -53.9 | 172.8 | 134.5 | 0 | 0 | 114.4 | R92 V99 | R92-E377 IonicContact CZ-OE2 2.7Å; R92-E377 VanDerWaalsContact CZ-OE2 3.29Å; R92-E377 IonicContact NH1-OE2 3.57Å; R92-E377 PolarHBondContact NH1-OE2 3.4Å; R92-E377 IonicContact NH2-OE2 2.72Å; R92-E377 PolarHBondContact NH2-OE2 3.01Å; V99-E377 HydrophobicContact CG2-CB 3.86Å |
| 378 | T | 91.2 | Very high | 86.8 | Confident | 38 Ų | 38 | 62.6 Ų | 62.6 | 23% | 0.233 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 15.7 | -175.8 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | I77 L90 R92 V99 S376 | I77-T378 HydrophobicContact CD1-CG2 3.39Å; I77-T378 HydrophobicContact CG1-CG2 4.48Å; L90-T378 HydrophobicContact CD2-CG2 4.46Å; R92-T378 VanDerWaalsContact NH2-CG2 3.27Å; V99-T378 HydrophobicContact CB-CG2 4.44Å; V99-T378 HydrophobicContact CG1-CG2 3.99Å; V99-T378 HydrophobicContact CG2-CG2 3.54Å; S376-T378 PolarHBondContact O-N 3.04Å; S376-T378 PolarHBondContact OG-N 2.88Å; S376-T378 PolarHBondContact OG-OG1 3.29Å |
| 379 | D | 92.4 | Very high | 85 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | trans | -72.2 | 128.4 | 177 | -164.8 | -9.1 | 0 | 0 | 0 | 110.2 | Y152 V374 N375 S376 S381 | Y152-D379 PolarHBondContact OH-O 3.36Å; V374-D379 HydrophobicContact CG1-CB 4.34Å; N375-D379 VanDerWaalsContact CB-OD2 3.24Å; N375-D379 WeakPolarHBondContact CB-OD2 3.27Å; N375-D379 PolarHBondContact N-OD2 3.32Å; N375-D379 PolarHBondContact ND2-OD2 3.26Å; S376-D379 WeakPolarHBondContact O-CB 3.29Å; S376-D379 PolarHBondContact O-N 2.99Å; S376-D379 PolarHBondContact OG-N 3Å; S376-D379 VanDerWaalsContact OG-N 3.15Å; D379-S381 VanDerWaalsContact OD1-CB 3.29Å; D379-S381 WeakPolarHBondContact OD1-CB 3.34Å; D379-S381 PolarHBondContact OD1-N 3.39Å; D379-S381 PolarHBondContact OD1-OG 2.64Å; D379-S381 VanDerWaalsContact OD1-OG 3.11Å | ||
| 380 | T | 90.7 | Very high | 83.1 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | trans | -116.2 | 17.8 | 176.8 | 90.4 | 0 | 0 | 0 | 0 | 111.7 | K78 I80 L90 N382 I383 | K78-T380 HydrophobicContact CD-CG2 3.86Å; K78-T380 PolarHBondContact NZ-OG1 2.99Å; K78-T380 VanDerWaalsContact NZ-OG1 3.08Å; I80-T380 HydrophobicContact CG2-CG2 3.96Å; L90-T380 HydrophobicContact CD2-CG2 3.69Å; T380-N382 PolarHBondContact O-N 3.03Å; T380-I383 PolarHBondContact O-N 3.33Å; T380-I383 VanDerWaalsContact O-N 3.16Å | ||
| 381 | S | 90.5 | Very high | 80.7 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.1 | -175.3 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | D379 | D379-S381 VanDerWaalsContact OD1-CB 3.29Å; D379-S381 WeakPolarHBondContact OD1-CB 3.34Å; D379-S381 PolarHBondContact OD1-N 3.39Å; D379-S381 PolarHBondContact OD1-OG 2.64Å; D379-S381 VanDerWaalsContact OD1-OG 3.11Å |
| 382 | N | 91.2 | Very high | 78.1 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 4% | 0.043 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 3.9 | 177.4 | -49.9 | -56.9 | 0 | 0 | 0 | 113.1 | P154 G155 G156 Y160 I373 T380 | P154-N382 PolarHBondContact O-ND2 2.89Å; G155-N382 WeakPolarHBondContact O-CB 3.35Å; G156-N382 VanDerWaalsContact CA-O 3.25Å; G156-N382 WeakPolarHBondContact CA-O 3.4Å; Y160-N382 WeakPolarHBondContact CD1-O 3.03Å; Y160-N382 HydrophobicContact CE1-CB 4.14Å; I373-N382 PolarHBondContact O-ND2 2.89Å; I373-N382 VanDerWaalsContact O-ND2 3.08Å; T380-N382 PolarHBondContact O-N 3.03Å |
| 383 | I | 86.9 | Confident | 75.6 | Confident | 30 Ų | 30 | 78.7 Ų | 78.7 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | trans | -104.9 | 122.8 | -178.1 | -62.1 | 179.9 | 0 | 0 | 0 | 110.3 | I80 Y152 T380 F385 | I80-I383 HydrophobicContact CB-CD1 4.42Å; I80-I383 HydrophobicContact CG2-CD1 4.48Å; Y152-I383 HydrophobicContact CE2-CD1 3.63Å; Y152-I383 VanDerWaalsContact OH-CD1 3.23Å; Y152-I383 WeakPolarHBondContact OH-CD1 3.5Å; T380-I383 PolarHBondContact O-N 3.33Å; T380-I383 VanDerWaalsContact O-N 3.16Å; I383-F385 HydrophobicContact CG2-CB 4.12Å; I383-F385 PolarHBondContact O-N 3.48Å | ||
| 384 | N | 78.9 | Confident | 72.9 | Confident | 86 Ų | 86 | 76 Ų | 76 | 46% | 0.46 | 43% | 0.427 | S | S | . | . | trans | -82.6 | 55.3 | -176.1 | -155.1 | 6.2 | 0 | 0 | 0 | 112.9 | E163 | E163-N384 PolarHBondContact OE2-ND2 3.34Š| ||
| 385 | F | 78.4 | Confident | 70.2 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 15% | 0.154 | 46% | 0.458 | C | S | . | . | trans | -120.7 | 119.6 | 177.9 | -173 | -102.1 | 0 | 0 | 0 | 112.7 | V79 I80 Q82 I383 L390 | V79-F385 HydrophobicContact CB-CE1 4.1Å; V79-F385 HydrophobicContact CG1-CE1 3.7Å; V79-F385 HydrophobicContact CG1-CZ 4.1Å; I80-F385 WeakPolarHBondContact O-CB 3.36Å; Q82-F385 HydrophobicContact CB-CE2 4.17Å; Q82-F385 HydrophobicContact CB-CZ 4.27Å; I383-F385 HydrophobicContact CG2-CB 4.12Å; I383-F385 PolarHBondContact O-N 3.48Å; F385-L390 HydrophobicContact CE1-CD1 4.38Å; F385-L390 HydrophobicContact CE1-CG 4.4Å; F385-L390 HydrophobicContact CZ-CD2 4.14Å; F385-L390 HydrophobicContact CZ-CG 4.2Å | ||
| 386 | D | 68.5 | Low | 67.3 | Low | 61 Ų | 61 | 77.9 Ų | 77.9 | 33% | 0.326 | 47% | 0.465 | S | S | . | . | trans | -98.6 | 117.5 | 179.3 | -163.5 | -31.5 | 0 | 0 | 0 | 111.1 | R388 D389 | D386-R388 VanDerWaalsContact CG-NE 3.34Å; D386-R388 PolarHBondContact O-N 3.06Å; D386-R388 WeakPolarHBondContact OD1-CB 3.44Å; D386-R388 WeakPolarHBondContact OD1-CG 3.39Å; D386-R388 IonicContact OD1-CZ 3.63Å; D386-R388 PolarHBondContact OD1-N 3.41Å; D386-R388 IonicContact OD1-NE 2.82Å; D386-R388 PolarHBondContact OD1-NE 3.22Å; D386-R388 IonicContact OD2-CZ 2.74Å; D386-R388 IonicContact OD2-NE 2.64Å; D386-R388 PolarHBondContact OD2-NE 2.95Å; D386-R388 IonicContact OD2-NH2 2.74Å; D386-R388 PolarHBondContact OD2-NH2 3.02Å; D386-D389 PolarHBondContact O-N 3.27Å; D386-D389 VanDerWaalsContact O-N 3.07Å | ||
| 387 | E | 64.9 | Low | 64.3 | Low | 94 Ų | 94 | 79.7 Ų | 79.7 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13 | 178.2 | -67.6 | -172.7 | 165.7 | 0 | 0 | 113.3 | K78 D389 L390 | K78-E387 WeakPolarHBondContact CE-OE1 3.47Å; K78-E387 WeakPolarHBondContact CG-OE1 3.25Å; E387-D389 PolarHBondContact O-N 3.47Å; E387-L390 HydrophobicContact CB-CD1 4.06Å; E387-L390 HydrophobicContact CG-CD1 4.23Å; E387-L390 VanDerWaalsContact O-CB 3.31Å; E387-L390 WeakPolarHBondContact O-CB 3.41Å; E387-L390 PolarHBondContact O-N 3.23Å |
| 388 | R | 58.8 | Low | 61.4 | Low | 183 Ų | 183 | 77.5 Ų | 77.5 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28.8 | 173 | -66.7 | 180 | -71.8 | 179.3 | 0.7 | 112.5 | D386 L390 S391 | D386-R388 VanDerWaalsContact CG-NE 3.34Å; D386-R388 PolarHBondContact O-N 3.06Å; D386-R388 WeakPolarHBondContact OD1-CB 3.44Å; D386-R388 WeakPolarHBondContact OD1-CG 3.39Å; D386-R388 IonicContact OD1-CZ 3.63Å; D386-R388 PolarHBondContact OD1-N 3.41Å; D386-R388 IonicContact OD1-NE 2.82Å; D386-R388 PolarHBondContact OD1-NE 3.22Å; D386-R388 IonicContact OD2-CZ 2.74Å; D386-R388 IonicContact OD2-NE 2.64Å; D386-R388 PolarHBondContact OD2-NE 2.95Å; D386-R388 IonicContact OD2-NH2 2.74Å; D386-R388 PolarHBondContact OD2-NH2 3.02Å; R388-L390 PolarHBondContact O-N 2.98Å; R388-S391 WeakPolarHBondContact O-CB 3.22Å; R388-S391 PolarHBondContact O-N 3.37Å; R388-S391 PolarHBondContact O-OG 3.45Å |
| 389 | D | 57.5 | Low | 58.3 | Low | 104 Ų | 104 | 79.5 Ų | 79.5 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -67.5 | -27.1 | -179.6 | -64.9 | -31.8 | 0 | 0 | 0 | 112.3 | D386 E387 S391 S392 | D386-D389 PolarHBondContact O-N 3.27Å; D386-D389 VanDerWaalsContact O-N 3.07Å; E387-D389 PolarHBondContact O-N 3.47Å; D389-S391 PolarHBondContact O-N 3.17Å; D389-S392 PolarHBondContact O-OG 3.1Å |
| 390 | L | 57.8 | Low | 55.2 | Low | 74 Ų | 74 | 83.1 Ų | 83.1 | 39% | 0.387 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -61.8 | -19.4 | 171.2 | -59.1 | 166.6 | 0 | 0 | 0 | 113.3 | V79 F385 E387 R388 | V79-L390 HydrophobicContact CB-CD1 4.16Å; V79-L390 HydrophobicContact CG1-CD1 4.42Å; V79-L390 HydrophobicContact CG1-CD2 4.25Å; V79-L390 HydrophobicContact CG2-CD1 4.18Å; F385-L390 HydrophobicContact CE1-CD1 4.38Å; F385-L390 HydrophobicContact CE1-CG 4.4Å; F385-L390 HydrophobicContact CZ-CD2 4.14Å; F385-L390 HydrophobicContact CZ-CG 4.2Å; E387-L390 HydrophobicContact CB-CD1 4.06Å; E387-L390 HydrophobicContact CG-CD1 4.23Å; E387-L390 VanDerWaalsContact O-CB 3.31Å; E387-L390 WeakPolarHBondContact O-CB 3.41Å; E387-L390 PolarHBondContact O-N 3.23Å; R388-L390 PolarHBondContact O-N 2.98Å |
| 391 | S | 45.1 | Very low | 52.2 | Low | 89 Ų | 89 | 91.9 Ų | 91.9 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -99.5 | 15.1 | -169.6 | 73.1 | 0 | 0 | 0 | 0 | 114.5 | R388 D389 D393 | R388-S391 WeakPolarHBondContact O-CB 3.22Å; R388-S391 PolarHBondContact O-N 3.37Å; R388-S391 PolarHBondContact O-OG 3.45Å; D389-S391 PolarHBondContact O-N 3.17Å; S391-D393 PolarHBondContact O-N 3.05Å |
| 392 | S | 39.4 | Very low | 49.3 | Very low | 109 Ų | 109 | 94.4 Ų | 94.4 | 76% | 0.762 | 61% | 0.607 | S | S | * | * | trans | -72.9 | 28.4 | -175.5 | 46.8 | 0 | 0 | 0 | 0 | 115.6 | D389 | D389-S392 PolarHBondContact O-OG 3.1Š| ||
| 393 | D | 40.9 | Very low | 46.3 | Very low | 159 Ų | 159 | 99.3 Ų | 99.3 | 85% | 0.85 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -149.4 | 93.7 | 169.1 | -138.8 | -7.7 | 0 | 0 | 0 | 113.7 | S391 | S391-D393 PolarHBondContact O-N 3.05Š|
| 394 | G | 34.6 | Very low | 43.9 | Very low | 63 Ų | 63 | 106.7 Ų | 106.7 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | trans | 65.6 | 76.9 | 143 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 395 | S | 34.7 | Very low | 41.6 | Very low | 133 Ų | 133 | 107.2 Ų | 107.2 | 93% | 0.93 | 68% | 0.684 | S | S | * | * | trans | 73.7 | 138.5 | 146 | -50.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 396 | G | 31.3 | Very low | 39.3 | Very low | 81 Ų | 81 | 108.4 Ų | 108.4 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | trans | 113.6 | 104.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 397 | G | 28.1 | Very low | 37.4 | Very low | 90 Ų | 90 | 108 Ų | 108 | 93% | 0.928 | 72% | 0.716 | S | S | * | * | trans | -82.2 | 141.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 398 | G | 27.9 | Very low | 36.1 | Very low | 77 Ų | 77 | 108.2 Ų | 108.2 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | 179.3 | 122.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 399 | G | 26.2 | Very low | 35.3 | Very low | 80 Ų | 80 | 103.3 Ų | 103.3 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | trans | -77.9 | 157.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 400 | A | 26.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 100.9 Ų | 100.9 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 77.5 | 136.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 401 | K | 28.5 | Very low | 33.7 | Very low | 207 Ų | 207 | 100 Ų | 100 | 90% | 0.9 | 71% | 0.711 | S | S | * | * | trans | 74.3 | 110.2 | -178.6 | -56.8 | 180 | -179.6 | 177.4 | 0 | 115.4 | ||||
| 402 | L | 30.4 | Very low | 33.6 | Very low | 120 Ų | 120 | 100.5 Ų | 100.5 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | trans | -59.8 | 142.7 | 165.2 | -68.5 | 87.8 | 0 | 0 | 0 | 110.3 | L76 H404 | L76-L402 HydrophobicContact CD2-CD2 3.67Å; L402-H404 PolarHBondContact O-N 2.99Å | ||
| 403 | P | 28.2 | Very low | 34.1 | Very low | 111 Ų | 111 | 105.2 Ų | 105.2 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | trans | -64.3 | 125.3 | 176.9 | 26.9 | -33.9 | 0 | 0 | 0 | 110.6 | S405 | P403-S405 PolarHBondContact O-N 2.86Š| ||
| 404 | H | 35.5 | Very low | 34.7 | Very low | 185 Ų | 185 | 101.4 Ų | 101.4 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -67.9 | 112.5 | 168.9 | -74.2 | 23.5 | 0 | 0 | 0 | 109.3 | L402 G406 | L402-H404 PolarHBondContact O-N 2.99Å; H404-G406 PolarHBondContact O-N 3.45Å |
| 405 | S | 31.6 | Very low | 35.9 | Very low | 98 Ų | 98 | 106.6 Ų | 106.6 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 41.3 | 68.1 | 164.1 | -53.4 | 0 | 0 | 0 | 0 | 115.9 | P403 | P403-S405 PolarHBondContact O-N 2.86Š|
| 406 | G | 29.2 | Very low | 37.4 | Very low | 59 Ų | 59 | 104.5 Ų | 104.5 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | trans | -164.7 | 10 | 179.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | H404 | H404-G406 PolarHBondContact O-N 3.45Š| ||
| 407 | G | 29.3 | Very low | 39.2 | Very low | 54 Ų | 54 | 102.8 Ų | 102.8 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -99 | 122.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F409 | G407-F409 PolarHBondContact O-N 2.91Š|
| 408 | A | 36.5 | Very low | 41.4 | Very low | 98 Ų | 98 | 101.9 Ų | 101.9 | 81% | 0.81 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 52.1 | -54.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | A410 | A408-A410 VanDerWaalsContact C-N 3.35Š|
| 409 | F | 42.1 | Very low | 43.8 | Very low | 80 Ų | 80 | 106.4 Ų | 106.4 | 35% | 0.351 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -91.8 | 7.8 | -174.8 | -68.1 | -97.9 | 0 | 0 | 0 | 113.7 | G84 G407 P411 | G84-F409 WeakPolarHBondContact O-CE1 3.48Å; G407-F409 PolarHBondContact O-N 2.91Å; F409-P411 WeakPolarHBondContact O-CD 3.41Å |
| 410 | A | 41.5 | Very low | 46.7 | Very low | 52 Ų | 52 | 107.2 Ų | 107.2 | 43% | 0.43 | 63% | 0.629 | S | S | . | * | trans | -93.6 | 96.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A408 | A408-A410 VanDerWaalsContact C-N 3.35Š| ||
| 411 | P | 40 | Very low | 49.4 | Very low | 57 Ų | 57 | 105.6 Ų | 105.6 | 37% | 0.37 | 61% | 0.609 | S | S | . | * | trans | -57.5 | 148.3 | 169.2 | 23.7 | -31.8 | 0 | 0 | 0 | 109.9 | Q108 F409 R413 | Q108-P411 HydrophobicContact CB-CG 3.67Å; Q108-P411 HydrophobicContact CG-CB 4.31Å; Q108-P411 HydrophobicContact CG-CG 3.54Å; F409-P411 WeakPolarHBondContact O-CD 3.41Å; P411-R413 PolarHBondContact O-N 2.78Å | ||
| 412 | A | 44 | Very low | 52.1 | Low | 99 Ų | 99 | 96.2 Ų | 96.2 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -51.9 | 119 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P414 | A412-P414 VanDerWaalsContact O-N 3.1Š|
| 413 | R | 49.3 | Very low | 54.7 | Low | 208 Ų | 208 | 92.3 Ų | 92.3 | 79% | 0.785 | 55% | 0.554 | S | S | * | * | trans | -37.3 | 116.1 | -168.6 | 174.3 | -178.1 | -83.8 | -171.7 | -3.6 | 110.6 | P411 Q415 | P411-R413 PolarHBondContact O-N 2.78Å; R413-Q415 PolarHBondContact O-N 3.08Å | ||
| 414 | P | 54.6 | Low | 57.6 | Low | 79 Ų | 79 | 88.6 Ų | 88.6 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 135.1 | -171.9 | -32.1 | 35.8 | 0 | 0 | 0 | 113 | A412 | A412-P414 VanDerWaalsContact O-N 3.1Š|
| 415 | Q | 59.8 | Low | 60.2 | Low | 171 Ų | 171 | 82.1 Ų | 82.1 | 80% | 0.799 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 133.1 | 168 | -72.8 | -78 | -4.7 | 0 | 0 | 108.2 | R413 | R413-Q415 PolarHBondContact O-N 3.08Š|
| 416 | P | 65.1 | Low | 62.9 | Low | 90 Ų | 90 | 79.9 Ų | 79.9 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -59 | 125.8 | 179.4 | 24.7 | -33 | 0 | 0 | 0 | 109 | ||
| 417 | P | 70.3 | Confident | 65.8 | Low | 45 Ų | 45 | 77.1 Ų | 77.1 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -71 | 144.7 | -163 | 29 | -36.8 | 0 | 0 | 0 | 111.5 | F41 Y419 T421 | F41-P417 HydrophobicContact CB-CG 4.46Å; F41-P417 WeakPolarHBondContact CD2-O 3.48Å; P417-Y419 VanDerWaalsContact C-N 3.28Å; P417-Y419 WeakPolarHBondContact CB-O 3.47Å; P417-Y419 PolarHBondContact O-N 3.28Å; P417-T421 HydrophobicContact CB-CG2 3.58Å; P417-T421 HydrophobicContact CG-CG2 4.09Å |
| 418 | A | 72.4 | Confident | 68.7 | Low | 71 Ų | 71 | 75.7 Ų | 75.7 | 59% | 0.587 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -75.7 | -19.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S43 | S43-A418 WeakPolarHBondContact CB-O 3.4Å; S43-A418 PolarHBondContact OG-O 3.48Å |
| 419 | Y | 80.2 | Confident | 71.3 | Confident | 172 Ų | 172 | 71.3 Ų | 71.3 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -141.4 | 172.3 | -179.1 | 54.9 | -94 | 0 | 0 | 0 | 109.7 | P417 T421 | P417-Y419 VanDerWaalsContact C-N 3.28Å; P417-Y419 WeakPolarHBondContact CB-O 3.47Å; P417-Y419 PolarHBondContact O-N 3.28Å; Y419-T421 HydrophobicContact CE2-CG2 4.45Å; Y419-T421 PolarHBondContact O-N 2.74Å |
| 420 | F | 86.5 | Confident | 73.6 | Confident | 97 Ų | 97 | 67.5 Ų | 67.5 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | trans | -71.3 | 121.8 | -178.1 | 175.4 | -90.1 | 0 | 0 | 0 | 110.7 | L35 D38 F41 L425 | L35-F420 HydrophobicContact CD1-CE2 4.12Å; L35-F420 HydrophobicContact CD1-CZ 4.24Å; D38-F420 HydrophobicContact CB-CD2 4.13Å; D38-F420 HydrophobicContact CB-CE2 3.73Å; D38-F420 HydrophobicContact CB-CZ 4.4Å; D38-F420 WeakPolarHBondContact O-CD2 3.48Å; F41-F420 HydrophobicContact CE1-CB 4.03Å; F41-F420 HydrophobicContact CE1-CD2 4.49Å; F41-F420 HydrophobicContact CZ-CB 4.03Å; F420-L425 HydrophobicContact CE1-CD1 4.42Å; F420-L425 HydrophobicContact CE2-CD1 4.25Å; F420-L425 HydrophobicContact CZ-CD1 3.52Å | ||
| 421 | T | 82 | Confident | 75.9 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | trans | -96.4 | -22.5 | -175.8 | 41.8 | 0 | 0 | 0 | 0 | 114.6 | P417 Y419 S423 | P417-T421 HydrophobicContact CB-CG2 3.58Å; P417-T421 HydrophobicContact CG-CG2 4.09Å; Y419-T421 HydrophobicContact CE2-CG2 4.45Å; Y419-T421 PolarHBondContact O-N 2.74Å; T421-S423 PolarHBondContact O-N 3.28Å; T421-S423 PolarHBondContact OG1-OG 3.21Å | ||
| 422 | G | 85.7 | Confident | 78.3 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | trans | 66.1 | 12.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D38 N424 L425 S426 | D38-G422 WeakPolarHBondContact OD2-CA 2.88Å; G422-N424 VanDerWaalsContact C-N 3.27Å; G422-N424 PolarHBondContact O-N 2.86Å; G422-L425 WeakPolarHBondContact O-CA 3.45Å; G422-L425 WeakPolarHBondContact O-CB 3.48Å; G422-L425 PolarHBondContact O-N 3.18Å; G422-S426 PolarHBondContact O-N 3.01Å; G422-S426 PolarHBondContact O-OG 3.36Å | ||
| 423 | S | 85 | Confident | 80.4 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.1 | -170.6 | 36.4 | 0 | 0 | 0 | 0 | 115.8 | D38 T421 F427 | D38-S423 PolarHBondContact OD1-N 3.35Å; D38-S423 PolarHBondContact OD1-OG 3.13Å; D38-S423 PolarHBondContact OD2-N 3.41Å; T421-S423 PolarHBondContact O-N 3.28Å; T421-S423 PolarHBondContact OG1-OG 3.21Å; S423-F427 WeakPolarHBondContact O-CD2 3.49Å |
| 424 | N | 88.7 | Confident | 82.1 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -29.6 | 171 | -69.4 | -82.1 | 0 | 0 | 0 | 111.7 | A34 D38 K107 G422 S426 F427 A428 | A34-N424 HydrophobicContact CB-CB 3.91Å; D38-N424 VanDerWaalsContact CG-N 3.35Å; D38-N424 PolarHBondContact OD1-N 2.93Å; D38-N424 PolarHBondContact OD1-ND2 2.72Å; D38-N424 WeakPolarHBondContact OD2-CA 3.49Å; D38-N424 PolarHBondContact OD2-N 3.13Å; K107-N424 PolarHBondContact NZ-OD1 3.33Å; G422-N424 VanDerWaalsContact C-N 3.27Å; G422-N424 PolarHBondContact O-N 2.86Å; N424-S426 VanDerWaalsContact C-N 3.25Å; N424-S426 PolarHBondContact O-N 3.32Å; N424-F427 PolarHBondContact O-N 2.89Å; N424-A428 PolarHBondContact O-N 3.03Å |
| 425 | L | 90 | Very high | 83 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -64.7 | -29.3 | 174.2 | -74.8 | 160.6 | 0 | 0 | 0 | 112.5 | V31 A34 L35 D38 F420 G422 F427 A428 | V31-L425 HydrophobicContact CG1-CD2 4.28Å; A34-L425 HydrophobicContact CB-CD2 3.76Å; A34-L425 HydrophobicContact CB-CG 3.87Å; L35-L425 HydrophobicContact CB-CD2 4.32Å; L35-L425 HydrophobicContact CD1-CD1 4.02Å; D38-L425 PolarHBondContact OD2-N 2.65Å; F420-L425 HydrophobicContact CE1-CD1 4.42Å; F420-L425 HydrophobicContact CE2-CD1 4.25Å; F420-L425 HydrophobicContact CZ-CD1 3.52Å; G422-L425 WeakPolarHBondContact O-CA 3.45Å; G422-L425 WeakPolarHBondContact O-CB 3.48Å; G422-L425 PolarHBondContact O-N 3.18Å; L425-F427 PolarHBondContact O-N 2.88Å; L425-A428 HydrophobicContact CD2-CB 4.39Å; L425-A428 WeakPolarHBondContact O-CB 3.33Å; L425-A428 PolarHBondContact O-N 3.07Å |
| 426 | S | 88.7 | Confident | 83.3 | Confident | 52 Ų | 52 | 46.8 Ų | 46.8 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59.2 | -11.1 | 168.5 | -58.2 | 0 | 0 | 0 | 0 | 114.9 | W119 G422 N424 | W119-S426 WeakPolarHBondContact CZ2-O 3.48Å; G422-S426 PolarHBondContact O-N 3.01Å; G422-S426 PolarHBondContact O-OG 3.36Å; N424-S426 VanDerWaalsContact C-N 3.25Å; N424-S426 PolarHBondContact O-N 3.32Å |
| 427 | F | 91 | Very high | 82.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -119.7 | 10.6 | 175.5 | -61.2 | -78.8 | 0 | 0 | 0 | 112.7 | K107 L110 L111 Y118 V146 S423 N424 L425 F430 | K107-F427 HydrophobicContact CB-CD2 4.33Å; K107-F427 HydrophobicContact CB-CE2 3.65Å; K107-F427 HydrophobicContact CB-CZ 3.83Å; K107-F427 HydrophobicContact CD-CD2 3.94Å; K107-F427 HydrophobicContact CD-CE2 4.11Å; K107-F427 HydrophobicContact CD-CG 4.49Å; K107-F427 HydrophobicContact CG-CD1 4.44Å; K107-F427 HydrophobicContact CG-CD2 3.83Å; K107-F427 HydrophobicContact CG-CE1 4.26Å; K107-F427 HydrophobicContact CG-CE2 3.63Å; K107-F427 HydrophobicContact CG-CG 4.24Å; K107-F427 HydrophobicContact CG-CZ 3.86Å; K107-F427 WeakPolarHBondContact O-CZ 3.35Å; L110-F427 HydrophobicContact CB-CE1 4.21Å; L110-F427 HydrophobicContact CB-CZ 4.21Å; L110-F427 HydrophobicContact CD1-CE1 4Å; L111-F427 HydrophobicContact CD1-CE2 4.04Å; L111-F427 HydrophobicContact CD2-CE2 4.05Å; L111-F427 HydrophobicContact CD2-CZ 4.12Å; L111-F427 HydrophobicContact CG-CE2 3.87Å; L111-F427 HydrophobicContact CG-CZ 3.9Å; Y118-F427 HydrophobicContact CD2-CE1 4.45Å; Y118-F427 AromaticContact CE2-CD1 3.94Å; Y118-F427 HydrophobicContact CE2-CD1 3.94Å; Y118-F427 AromaticContact CE2-CE1 3.72Å; Y118-F427 HydrophobicContact CE2-CE1 3.72Å; Y118-F427 AromaticContact CZ-CE1 3.96Å; V146-F427 HydrophobicContact CG1-CB 4.48Å; V146-F427 HydrophobicContact CG1-CD1 3.65Å; V146-F427 HydrophobicContact CG1-CE1 4.16Å; V146-F427 HydrophobicContact CG1-CG 4.17Å; S423-F427 WeakPolarHBondContact O-CD2 3.49Å; N424-F427 PolarHBondContact O-N 2.89Å; L425-F427 PolarHBondContact O-N 2.88Å; F427-F430 VanDerWaalsContact O-CB 3.26Å; F427-F430 WeakPolarHBondContact O-CB 3.47Å; F427-F430 PolarHBondContact O-N 3.4Å |
| 428 | A | 90.7 | Very high | 82.1 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 125.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D30 V31 A34 N424 L425 | D30-A428 HydrophobicContact CB-CB 3.96Å; V31-A428 HydrophobicContact CG2-CB 3.83Å; A34-A428 HydrophobicContact CB-CB 4.28Å; N424-A428 PolarHBondContact O-N 3.03Å; L425-A428 HydrophobicContact CD2-CB 4.39Å; L425-A428 WeakPolarHBondContact O-CB 3.33Å; L425-A428 PolarHBondContact O-N 3.07Å |
| 429 | G | 89.4 | Confident | 81.3 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | -7.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113 | D30 R122 | D30-G429 PolarHBondContact OD2-N 2.84Å; R122-G429 VanDerWaalsContact CZ-O 3.28Å; R122-G429 PolarHBondContact NE-O 3.47Å; R122-G429 PolarHBondContact NH2-O 2.99Å |
| 430 | F | 90.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -69.7 | -34.3 | 178.5 | -165.2 | -90.7 | 0 | 0 | 0 | 111.7 | D30 Y118 W119 R122 A139 L141 V146 L148 F427 | D30-F430 PolarHBondContact OD2-N 3.31Å; Y118-F430 HydrophobicContact CD2-CD2 4.46Å; Y118-F430 HydrophobicContact CD2-CE2 4.18Å; W119-F430 HydrophobicContact CE3-CD2 4.42Å; W119-F430 HydrophobicContact CH2-CB 4.02Å; W119-F430 HydrophobicContact CH2-CD2 4.46Å; W119-F430 HydrophobicContact CZ3-CB 4.15Å; W119-F430 HydrophobicContact CZ3-CD2 4.18Å; R122-F430 HydrophobicContact CB-CD2 4.3Å; R122-F430 HydrophobicContact CB-CE2 3.8Å; R122-F430 HydrophobicContact CB-CZ 4.26Å; R122-F430 HydrophobicContact CG-CD2 4.08Å; R122-F430 HydrophobicContact CG-CE2 3.97Å; R122-F430 HydrophobicContact CG-CZ 4.31Å; R122-F430 PolarHBondContact NE-O 3.32Å; A139-F430 HydrophobicContact CB-CD1 4.11Å; A139-F430 HydrophobicContact CB-CE1 3.99Å; A139-F430 WeakPolarHBondContact CB-O 3.44Å; L141-F430 HydrophobicContact CD2-CB 4.35Å; V146-F430 HydrophobicContact CB-CD1 4.06Å; V146-F430 HydrophobicContact CB-CE1 3.7Å; V146-F430 HydrophobicContact CB-CE2 4.41Å; V146-F430 HydrophobicContact CB-CZ 3.88Å; V146-F430 HydrophobicContact CG1-CD1 4.3Å; V146-F430 HydrophobicContact CG1-CE1 4.41Å; V146-F430 HydrophobicContact CG1-CG 4.44Å; V146-F430 HydrophobicContact CG2-CE1 4.23Å; V146-F430 HydrophobicContact CG2-CE2 4.3Å; V146-F430 HydrophobicContact CG2-CZ 3.9Å; L148-F430 HydrophobicContact CD2-CE1 3.84Å; L148-F430 HydrophobicContact CD2-CZ 3.56Å; L148-F430 HydrophobicContact CG-CE1 4.38Å; L148-F430 HydrophobicContact CG-CZ 3.91Å; F427-F430 VanDerWaalsContact O-CB 3.26Å; F427-F430 WeakPolarHBondContact O-CB 3.47Å; F427-F430 PolarHBondContact O-N 3.4Å | ||
| 431 | T | 91.3 | Very high | 78.2 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | trans | -64 | 135.9 | -174.2 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | E26 D30 A139 | E26-T431 HydrophobicContact CB-CG2 4.27Å; E26-T431 HydrophobicContact CG-CG2 4.41Å; D30-T431 WeakPolarHBondContact OD1-CB 3.43Å; D30-T431 PolarHBondContact OD1-OG1 3.48Å; D30-T431 WeakPolarHBondContact OD2-CB 3.25Å; D30-T431 PolarHBondContact OD2-N 3.31Å; D30-T431 PolarHBondContact OD2-OG1 3.16Å; A139-T431 WeakPolarHBondContact O-CA 3.36Å | ||
| 432 | F | 89.9 | Confident | 76.6 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 151.4 | 177 | 167.2 | -102.1 | 0 | 0 | 0 | 111.2 | P19 Y24 V126 C136 Y138 A139 R434 | P19-F432 HydrophobicContact CB-CD2 4.04Å; P19-F432 HydrophobicContact CB-CE2 3.7Å; P19-F432 HydrophobicContact CG-CE2 3.89Å; Y24-F432 HydrophobicContact CE1-CD2 4.29Å; V126-F432 HydrophobicContact CG1-CD2 3.99Å; V126-F432 HydrophobicContact CG1-CE2 3.96Å; V126-F432 HydrophobicContact CG1-CG 4.33Å; V126-F432 HydrophobicContact CG1-CZ 4.25Å; V126-F432 HydrophobicContact CG2-CB 4.03Å; V126-F432 HydrophobicContact CG2-CD1 3.65Å; V126-F432 HydrophobicContact CG2-CD2 4.2Å; V126-F432 HydrophobicContact CG2-CE1 4.09Å; V126-F432 HydrophobicContact CG2-CG 3.69Å; C136-F432 WeakPolarHBondContact O-CE1 3.29Å; Y138-F432 CarbonylContact C-O 3.52Å; Y138-F432 WeakPolarHBondContact CA-O 3.33Å; A139-F432 HydrophobicContact CB-CB 4Å; A139-F432 PolarHBondContact N-O 3.14Å; A139-F432 PolarHBondContact O-N 3.49Å; A139-F432 VanDerWaalsContact O-O 3.05Å; F432-R434 HydrophobicContact CE1-CB 3.79Å; F432-R434 HydrophobicContact CE1-CG 4.48Å; F432-R434 HydrophobicContact CZ-CB 3.83Å; F432-R434 HydrophobicContact CZ-CG 4.23Å |
| 433 | N | 87.3 | Confident | 74.6 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 106.5 | 176.4 | 169.6 | -2 | 0 | 0 | 0 | 111.3 | Y138 Y435 H436 | Y138-N433 HydrophobicContact CD1-CB 4Å; Y138-N433 WeakPolarHBondContact CD1-OD1 3.28Å; Y138-N433 WeakPolarHBondContact CE1-OD1 3.47Å; N433-Y435 PolarHBondContact O-N 3.25Å; N433-Y435 WeakPolarHBondContact OD1-CA 3.46Å; N433-Y435 PolarHBondContact OD1-N 3.39Å; N433-H436 PolarHBondContact N-NE2 3.43Å; N433-H436 PolarHBondContact O-CD2 2.7Å; N433-H436 PolarHBondContact O-N 2.83Å; N433-H436 PolarHBondContact O-NE2 3.49Å |
| 434 | R | 84.4 | Confident | 72.5 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -5.8 | -177 | -162 | 173.8 | -79 | -121.1 | -2.4 | 114.6 | M125 A128 C136 H137 F432 | M125-R434 PolarHBondContact O-NH2 3.02Å; A128-R434 VanDerWaalsContact O-CZ 3.3Å; A128-R434 PolarHBondContact O-NH1 2.93Å; A128-R434 PolarHBondContact O-NH2 3.13Å; C136-R434 PolarHBondContact O-NE 2.94Å; C136-R434 PolarHBondContact O-NH2 3.15Å; H137-R434 PolarHBondContact O-N 3.44Å; F432-R434 HydrophobicContact CE1-CB 3.79Å; F432-R434 HydrophobicContact CE1-CG 4.48Å; F432-R434 HydrophobicContact CZ-CB 3.83Å; F432-R434 HydrophobicContact CZ-CG 4.23Å |
| 435 | Y | 75.1 | Confident | 70.1 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 42.4 | -177.8 | -54.9 | -67.6 | 0 | 0 | 0 | 113.7 | R98 H137 Y138 N433 R437 | R98-Y435 VanDerWaalsContact NH1-CZ 3.33Å; R98-Y435 PolarHBondContact NH1-OH 2.91Å; H137-Y435 HydrophobicContact CB-CE2 4.25Å; H137-Y435 PolarHBondContact CE1-OH 3.4Å; H137-Y435 AromaticContact ND1-CE2 3.43Å; H137-Y435 WeakPolarHBondContact ND1-CE2 3.49Å; H137-Y435 AromaticContact ND1-CZ 3.47Å; H137-Y435 PolarHBondContact ND1-OH 2.99Å; Y138-Y435 HydrophobicContact CE1-CD2 4.1Å; Y138-Y435 AromaticContact CZ-CD2 3.81Å; Y138-Y435 WeakPolarHBondContact OH-CD2 3.16Å; N433-Y435 PolarHBondContact O-N 3.25Å; N433-Y435 WeakPolarHBondContact OD1-CA 3.46Å; N433-Y435 PolarHBondContact OD1-N 3.39Å; Y435-R437 PolarHBondContact O-N 3.36Å |
| 436 | H | 65.1 | Low | 67.3 | Low | 15 Ų | 15 | 68.3 Ų | 68.3 | 7% | 0.069 | 35% | 0.348 | C | S | . | . | trans | -64.7 | 67 | 177.9 | -80.2 | -71.8 | 0 | 0 | 0 | 114.9 | Y24 E26 N433 Y438 L439 E440 | Y24-H436 AromaticContact CZ-NE2 3.89Å; Y24-H436 PolarHBondContact OH-CD2 3.18Å; Y24-H436 PolarHBondContact OH-NE2 3.42Å; Y24-H436 VanDerWaalsContact OH-NE2 3.12Å; E26-H436 VanDerWaalsContact CG-CE1 3.41Å; E26-H436 WeakPolarHBondContact CG-CE1 3.49Å; E26-H436 IonicContact OE1-CE1 3.42Å; N433-H436 PolarHBondContact N-NE2 3.43Å; N433-H436 PolarHBondContact O-CD2 2.7Å; N433-H436 PolarHBondContact O-N 2.83Å; N433-H436 PolarHBondContact O-NE2 3.49Å; H436-Y438 AromaticContact CE1-CZ 3.69Å; H436-Y438 PolarHBondContact CE1-OH 3.39Å; H436-Y438 AromaticContact ND1-CE1 3.51Å; H436-Y438 AromaticContact ND1-CE2 3.67Å; H436-Y438 AromaticContact ND1-CZ 3.14Å; H436-Y438 PolarHBondContact ND1-OH 3.41Å; H436-Y438 VanDerWaalsContact ND1-OH 3.08Å; H436-Y438 PolarHBondContact O-N 3.14Å; H436-Y438 VanDerWaalsContact O-N 3.08Å; H436-L439 HydrophobicContact CB-CB 3.93Å; H436-L439 HydrophobicContact CB-CD1 3.66Å; H436-L439 HydrophobicContact CB-CG 3.73Å; H436-L439 WeakPolarHBondContact O-CB 3.22Å; H436-L439 PolarHBondContact O-N 3.26Å; H436-E440 PolarHBondContact O-N 3.31Å | ||
| 437 | R | 51.9 | Low | 64.4 | Low | 186 Ų | 186 | 73 Ų | 73 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.5 | -19.9 | 176.1 | -69.9 | -174.2 | 70.2 | 179.7 | 2.1 | 114.4 | Y435 M441 | Y435-R437 PolarHBondContact O-N 3.36Å; R437-M441 WeakPolarHBondContact O-CG 3.43Å; R437-M441 PolarHBondContact O-N 2.95Å |
| 438 | Y | 57.5 | Low | 61.7 | Low | 98 Ų | 98 | 82.1 Ų | 82.1 | 38% | 0.384 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -79.5 | -21 | 172.7 | 58.9 | -96 | 0 | 0 | 0 | 113.5 | E26 H436 F442 | E26-Y438 PolarHBondContact OE1-OH 3.05Å; H436-Y438 AromaticContact CE1-CZ 3.69Å; H436-Y438 PolarHBondContact CE1-OH 3.39Å; H436-Y438 AromaticContact ND1-CE1 3.51Å; H436-Y438 AromaticContact ND1-CE2 3.67Å; H436-Y438 AromaticContact ND1-CZ 3.14Å; H436-Y438 PolarHBondContact ND1-OH 3.41Å; H436-Y438 VanDerWaalsContact ND1-OH 3.08Å; H436-Y438 PolarHBondContact O-N 3.14Å; H436-Y438 VanDerWaalsContact O-N 3.08Å; Y438-F442 VanDerWaalsContact O-CD2 3.29Å; Y438-F442 WeakPolarHBondContact O-CD2 3.35Å; Y438-F442 WeakPolarHBondContact O-CE2 3.4Å |
| 439 | L | 55.9 | Low | 58.8 | Low | 16 Ų | 16 | 87.1 Ų | 87.1 | 8% | 0.084 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -76.5 | -42.3 | 167.9 | -63.6 | -174.4 | 0 | 0 | 0 | 109.9 | L17 Y24 L25 H436 M441 F442 | L17-L439 HydrophobicContact CD2-CB 3.64Å; L17-L439 HydrophobicContact CD2-CD1 4.1Å; L17-L439 HydrophobicContact CD2-CD2 3.82Å; L17-L439 HydrophobicContact CD2-CG 4.03Å; Y24-L439 HydrophobicContact CE2-CD1 4.18Å; L25-L439 HydrophobicContact CD2-CD2 3.87Å; H436-L439 HydrophobicContact CB-CB 3.93Å; H436-L439 HydrophobicContact CB-CD1 3.66Å; H436-L439 HydrophobicContact CB-CG 3.73Å; H436-L439 WeakPolarHBondContact O-CB 3.22Å; H436-L439 PolarHBondContact O-N 3.26Å; L439-M441 PolarHBondContact O-N 3.42Å; L439-M441 VanDerWaalsContact O-N 3.08Å; L439-F442 PolarHBondContact O-N 3.43Å; L439-F442 VanDerWaalsContact O-N 3.13Å |
| 440 | E | 52.1 | Low | 56.1 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.4 | -24.7 | 171.4 | -66.2 | 178.4 | -155.7 | 0 | 0 | 114 | H436 F442 S443 R444 | H436-E440 PolarHBondContact O-N 3.31Å; E440-F442 VanDerWaalsContact C-N 3.32Å; E440-F442 PolarHBondContact O-N 3.37Å; E440-S443 PolarHBondContact O-N 3.25Å; E440-R444 PolarHBondContact O-N 3.22Å; E440-R444 IonicContact OE2-CZ 3.2Å; E440-R444 IonicContact OE2-NH1 3.72Å; E440-R444 PolarHBondContact OE2-NH1 3.06Å; E440-R444 IonicContact OE2-NH2 2.68Å |
| 441 | M | 49.9 | Very low | 53.1 | Low | 146 Ų | 146 | 99.1 Ų | 99.1 | 72% | 0.719 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.6 | -28.3 | 179.5 | -80.4 | 177.9 | 70.3 | 0 | 0 | 113.1 | R437 L439 S443 | R437-M441 WeakPolarHBondContact O-CG 3.43Å; R437-M441 PolarHBondContact O-N 2.95Å; L439-M441 PolarHBondContact O-N 3.42Å; L439-M441 VanDerWaalsContact O-N 3.08Å; M441-S443 VanDerWaalsContact C-N 3.31Å |
| 442 | F | 48.7 | Very low | 50.2 | Low | 148 Ų | 148 | 104.2 Ų | 104.2 | 65% | 0.649 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.9 | -33.7 | 172.4 | -65.9 | -85.2 | 0 | 0 | 0 | 111.1 | Y438 L439 E440 | Y438-F442 VanDerWaalsContact O-CD2 3.29Å; Y438-F442 WeakPolarHBondContact O-CD2 3.35Å; Y438-F442 WeakPolarHBondContact O-CE2 3.4Å; L439-F442 PolarHBondContact O-N 3.43Å; L439-F442 VanDerWaalsContact O-N 3.13Å; E440-F442 VanDerWaalsContact C-N 3.32Å; E440-F442 PolarHBondContact O-N 3.37Å |
| 443 | S | 44.2 | Very low | 47.3 | Very low | 87 Ų | 87 | 109.6 Ų | 109.6 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -83.4 | -7.7 | -177.7 | -41.3 | 0 | 0 | 0 | 0 | 115.6 | E440 M441 | E440-S443 PolarHBondContact O-N 3.25Å; M441-S443 VanDerWaalsContact C-N 3.31Å |
| 444 | R | 41.1 | Very low | 44.5 | Very low | 182 Ų | 182 | 114 Ų | 114 | 69% | 0.687 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 15.1 | -172.8 | -76.7 | -164.3 | 177.8 | 121.9 | 2.7 | 115.7 | E440 S446 | E440-R444 PolarHBondContact O-N 3.22Å; E440-R444 IonicContact OE2-CZ 3.2Å; E440-R444 IonicContact OE2-NH1 3.72Å; E440-R444 PolarHBondContact OE2-NH1 3.06Å; E440-R444 IonicContact OE2-NH2 2.68Å; R444-S446 VanDerWaalsContact C-N 3.29Å; R444-S446 PolarHBondContact O-N 2.98Å |
| 445 | G | 36.7 | Very low | 41.9 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 61% | 0.609 | S | S | * | * | trans | -69.8 | -6.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 446 | S | 31.9 | Very low | 39.6 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -144.6 | 95.5 | -171.5 | -167.9 | 0 | 0 | 0 | 0 | 113.8 | R444 | R444-S446 VanDerWaalsContact C-N 3.29Å; R444-S446 PolarHBondContact O-N 2.98Å |
| 447 | N | 28.9 | Very low | 38.3 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | 171.9 | 104.5 | 145.2 | -95.9 | -41.8 | 0 | 0 | 0 | 111.3 | ||||
| 448 | H | 34.3 | Very low | 37.7 | Very low | 192 Ų | 192 | 124.3 Ų | 124.3 | 89% | 0.889 | 67% | 0.671 | S | S | * | * | trans | -158.9 | 129.3 | 151.9 | -128.1 | -70.6 | 0 | 0 | 0 | 111.5 | ||||
| 449 | N | 29.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | trans | -96.6 | 152.6 | 178 | -65.7 | -43.7 | 0 | 0 | 0 | 111.4 | ||||
| 450 | N | 31.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | 168.5 | 120.4 | 120.8 | -83.9 | -13.8 | 0 | 0 | 0 | 113.4 | |||||
| 451 | T | 29 | Very low | 35 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | 31.3 | 139.3 | 124.2 | 60 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 452 | T | 30 | Very low | 35 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | -170.1 | 145.6 | 64.7 | 32.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 453 | T | 28.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 40.6 | 147.3 | 139.7 | 63.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 454 | T | 29.9 | Very low | 34.8 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | cis | -163.8 | 165.9 | 8.1 | 5.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 455 | D | 27.9 | Very low | 35 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | trans | -16.4 | 144.1 | 167.3 | -66.4 | -78.9 | 0 | 0 | 0 | 122.7 | ||||
| 456 | M | 28.3 | Very low | 35.8 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | -163.4 | 163.4 | 101.8 | -100.8 | -62.3 | 146.6 | 0 | 0 | 113.3 | |||||
| 457 | K | 37.4 | Very low | 36.4 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | -112.3 | -163.3 | -166.4 | -54.1 | -177.6 | -179.9 | 175.5 | 0 | 113.5 | ||||
| 458 | P | 39.2 | Very low | 37.5 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | -129.8 | 162.4 | -97.3 | 40 | -23 | 0 | 0 | 0 | 115 | |||||
| 459 | N | 30.9 | Very low | 38.6 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -159.4 | 159.9 | 154.8 | -131.4 | -41.3 | 0 | 0 | 0 | 114.7 | ||||
| 460 | H | 39.7 | Very low | 39.9 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | 83.3 | 69.1 | 174.7 | -62.8 | -0.8 | 0 | 0 | 0 | 118.4 | I462 | H460-I462 PolarHBondContact O-N 3.42Š| ||
| 461 | Q | 39.2 | Very low | 41 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -9 | 170.5 | -154.3 | 72.7 | 16.4 | 0 | 0 | 116.4 | ||
| 462 | I | 48.4 | Very low | 42.7 | Very low | 147 Ų | 147 | 128 Ų | 128 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -40.5 | -164.2 | -61 | 177 | 0 | 0 | 0 | 112.8 | H460 L464 | H460-I462 PolarHBondContact O-N 3.42Å; I462-L464 PolarHBondContact O-N 3.25Å |
| 463 | L | 45.7 | Very low | 44.4 | Very low | 150 Ų | 150 | 128 Ų | 128 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.4 | -20.3 | 174.8 | -115.9 | 78.3 | 0 | 0 | 0 | 112.9 | N465 | L463-N465 VanDerWaalsContact C-N 3.34Å; L463-N465 PolarHBondContact O-N 3.39Å |
| 464 | L | 42.9 | Very low | 45.6 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 51% | 0.508 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.8 | -35.6 | -173.1 | -168.7 | 64.8 | 0 | 0 | 0 | 112.4 | I462 S467 L468 | I462-L464 PolarHBondContact O-N 3.25Å; L464-S467 PolarHBondContact O-N 3.44Å; L464-L468 WeakPolarHBondContact O-CB 3.43Å; L464-L468 PolarHBondContact O-N 3.16Å |
| 465 | N | 46.9 | Very low | 47.1 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 56% | 0.556 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67 | -47.4 | -174.2 | -70.5 | -9.4 | 0 | 0 | 0 | 112.5 | L463 S467 L468 E469 | L463-N465 VanDerWaalsContact C-N 3.34Å; L463-N465 PolarHBondContact O-N 3.39Å; N465-S467 PolarHBondContact O-N 2.93Å; N465-L468 PolarHBondContact O-N 3.5Å; N465-E469 PolarHBondContact O-N 2.96Å |
| 466 | E | 51.6 | Low | 49 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.6 | -20.7 | 177 | -52.9 | -172.2 | 179.5 | 0 | 0 | 113.4 | R470 | E466-R470 PolarHBondContact O-NE 2.89Å; E466-R470 PolarHBondContact O-NH2 2.77Å; E466-R470 IonicContact OE2-CZ 2.65Å; E466-R470 IonicContact OE2-NH1 2.65Å; E466-R470 IonicContact OE2-NH2 3.18Å; E466-R470 PolarHBondContact OE2-NH2 3.45Å |
| 467 | S | 46.2 | Very low | 50.7 | Low | 66 Ų | 66 | 120 Ų | 120 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74 | -44.3 | 170.9 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | L464 N465 E469 Q471 | L464-S467 PolarHBondContact O-N 3.44Å; N465-S467 PolarHBondContact O-N 2.93Å; S467-E469 VanDerWaalsContact C-N 3.34Å; S467-E469 PolarHBondContact O-N 2.99Å; S467-Q471 VanDerWaalsContact O-CB 3.3Å; S467-Q471 WeakPolarHBondContact O-CB 3.45Å; S467-Q471 PolarHBondContact O-N 3.22Å |
| 468 | L | 51.1 | Low | 51.9 | Low | 80 Ų | 80 | 115.9 Ų | 115.9 | 42% | 0.419 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -35.1 | -179.3 | -169.5 | 69 | 0 | 0 | 0 | 112.3 | L464 N465 Q471 K472 | L464-L468 WeakPolarHBondContact O-CB 3.43Å; L464-L468 PolarHBondContact O-N 3.16Å; N465-L468 PolarHBondContact O-N 3.5Å; L468-Q471 PolarHBondContact O-N 3.16Å; L468-K472 WeakPolarHBondContact O-CG 3.39Å; L468-K472 PolarHBondContact O-N 3.49Å |
| 469 | E | 57.6 | Low | 53.2 | Low | 137 Ų | 137 | 113.7 Ų | 113.7 | 64% | 0.64 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.4 | -41.5 | 179 | -164.8 | 160.5 | -114 | 0 | 0 | 112.5 | N465 S467 Q471 K472 L473 | N465-E469 PolarHBondContact O-N 2.96Å; S467-E469 VanDerWaalsContact C-N 3.34Å; S467-E469 PolarHBondContact O-N 2.99Å; E469-Q471 VanDerWaalsContact C-N 3.32Å; E469-Q471 PolarHBondContact O-N 2.88Å; E469-K472 PolarHBondContact O-N 2.8Å; E469-L473 PolarHBondContact O-N 3.24Å |
| 470 | R | 57.3 | Low | 54.9 | Low | 154 Ų | 154 | 112 Ų | 112 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -38.6 | 168.9 | -81.8 | 176 | -79.6 | -129.1 | 1.2 | 111.9 | E466 L473 T474 | E466-R470 PolarHBondContact O-NE 2.89Å; E466-R470 PolarHBondContact O-NH2 2.77Å; E466-R470 IonicContact OE2-CZ 2.65Å; E466-R470 IonicContact OE2-NH1 2.65Å; E466-R470 IonicContact OE2-NH2 3.18Å; E466-R470 PolarHBondContact OE2-NH2 3.45Å; R470-L473 PolarHBondContact O-N 2.69Å; R470-T474 PolarHBondContact O-N 2.73Å; R470-T474 VanDerWaalsContact O-N 3.13Å; R470-T474 PolarHBondContact O-OG1 3.38Å |
| 471 | Q | 52.6 | Low | 56 | Low | 102 Ų | 102 | 108.7 Ų | 108.7 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.4 | -175.5 | 173.5 | -7 | 0 | 0 | 111.6 | S467 L468 E469 L473 T474 E475 | S467-Q471 VanDerWaalsContact O-CB 3.3Å; S467-Q471 WeakPolarHBondContact O-CB 3.45Å; S467-Q471 PolarHBondContact O-N 3.22Å; L468-Q471 PolarHBondContact O-N 3.16Å; E469-Q471 VanDerWaalsContact C-N 3.32Å; E469-Q471 PolarHBondContact O-N 2.88Å; Q471-L473 PolarHBondContact O-N 3.22Å; Q471-T474 WeakPolarHBondContact CA-OG1 3.42Å; Q471-T474 PolarHBondContact O-N 3.04Å; Q471-T474 PolarHBondContact O-OG1 3.17Å; Q471-E475 WeakPolarHBondContact O-CB 3.49Å; Q471-E475 PolarHBondContact O-N 3.26Å |
| 472 | K | 65.9 | Low | 57.1 | Low | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -55.9 | -45.5 | 174.9 | -77.6 | 176.1 | 178.5 | -178.4 | 0 | 112.9 | L468 E469 T474 E475 Q476 | L468-K472 WeakPolarHBondContact O-CG 3.39Å; L468-K472 PolarHBondContact O-N 3.49Å; E469-K472 PolarHBondContact O-N 2.8Å; K472-T474 PolarHBondContact O-N 3.02Å; K472-E475 PolarHBondContact O-N 3.23Å; K472-Q476 WeakPolarHBondContact O-CB 3.35Å; K472-Q476 PolarHBondContact O-N 3.26Å |
| 473 | L | 65.4 | Low | 58 | Low | 116 Ų | 116 | 104.2 Ų | 104.2 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 177.7 | -81.4 | 163.2 | 0 | 0 | 0 | 112.2 | E469 R470 Q471 E475 A477 | E469-L473 PolarHBondContact O-N 3.24Å; R470-L473 PolarHBondContact O-N 2.69Å; Q471-L473 PolarHBondContact O-N 3.22Å; L473-E475 VanDerWaalsContact C-N 3.34Å; L473-A477 PolarHBondContact O-N 3.01Å |
| 474 | T | 53.5 | Low | 58.9 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -32.6 | 174.2 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | R470 Q471 K472 L478 | R470-T474 PolarHBondContact O-N 2.73Å; R470-T474 VanDerWaalsContact O-N 3.13Å; R470-T474 PolarHBondContact O-OG1 3.38Å; Q471-T474 WeakPolarHBondContact CA-OG1 3.42Å; Q471-T474 PolarHBondContact O-N 3.04Å; Q471-T474 PolarHBondContact O-OG1 3.17Å; K472-T474 PolarHBondContact O-N 3.02Å; T474-L478 WeakPolarHBondContact O-CB 3.39Å; T474-L478 PolarHBondContact O-N 3.14Å |
| 475 | E | 62.2 | Low | 59.6 | Low | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.4 | -35.3 | 179 | -170.7 | 165.1 | -124.4 | 0 | 0 | 111.9 | Q471 K472 L473 L478 N479 | Q471-E475 WeakPolarHBondContact O-CB 3.49Å; Q471-E475 PolarHBondContact O-N 3.26Å; K472-E475 PolarHBondContact O-N 3.23Å; L473-E475 VanDerWaalsContact C-N 3.34Å; E475-L478 PolarHBondContact O-N 3.47Å; E475-N479 VanDerWaalsContact O-CG 3.22Å; E475-N479 PolarHBondContact O-N 3.48Å; E475-N479 PolarHBondContact O-ND2 3.48Å |
| 476 | Q | 67.4 | Low | 60.4 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.9 | -50.9 | 174.1 | -171.8 | 168.9 | -6.9 | 0 | 0 | 111.6 | K472 L478 N479 E480 | K472-Q476 WeakPolarHBondContact O-CB 3.35Å; K472-Q476 PolarHBondContact O-N 3.26Å; Q476-L478 VanDerWaalsContact C-N 3.25Å; Q476-L478 PolarHBondContact O-N 3Å; Q476-N479 PolarHBondContact O-N 2.96Å; Q476-E480 PolarHBondContact O-N 3.21Å |
| 477 | A | 64 | Low | 61.3 | Low | 56 Ų | 56 | 97 Ų | 97 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L473 N479 L481 | L473-A477 PolarHBondContact O-N 3.01Å; A477-N479 VanDerWaalsContact C-N 3.34Å; A477-L481 WeakPolarHBondContact O-CB 3.44Å; A477-L481 PolarHBondContact O-N 2.71Å; A477-L481 VanDerWaalsContact O-N 3.16Å |
| 478 | L | 62.9 | Low | 62.1 | Low | 89 Ų | 89 | 98.2 Ų | 98.2 | 47% | 0.466 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.8 | -32.9 | 173.1 | -179.9 | 63.2 | 0 | 0 | 0 | 112.2 | T474 E475 Q476 K482 | T474-L478 WeakPolarHBondContact O-CB 3.39Å; T474-L478 PolarHBondContact O-N 3.14Å; E475-L478 PolarHBondContact O-N 3.47Å; Q476-L478 VanDerWaalsContact C-N 3.25Å; Q476-L478 PolarHBondContact O-N 3Å; L478-K482 VanDerWaalsContact O-CG 3.28Å; L478-K482 WeakPolarHBondContact O-CG 3.48Å; L478-K482 PolarHBondContact O-N 3.38Å; L478-K482 VanDerWaalsContact O-N 3.13Å |
| 479 | N | 65.2 | Low | 62.6 | Low | 72 Ų | 72 | 96.7 Ų | 96.7 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -78.2 | -36.2 | 178.2 | -71.1 | -22.3 | 0 | 0 | 0 | 112.8 | E475 Q476 A477 K482 Q483 | E475-N479 VanDerWaalsContact O-CG 3.22Å; E475-N479 PolarHBondContact O-N 3.48Å; E475-N479 PolarHBondContact O-ND2 3.48Å; Q476-N479 PolarHBondContact O-N 2.96Å; A477-N479 VanDerWaalsContact C-N 3.34Å; N479-K482 PolarHBondContact O-N 3.35Å; N479-K482 PolarHBondContact OD1-NZ 3.38Å; N479-Q483 PolarHBondContact O-N 3.09Å |
| 480 | E | 67.1 | Low | 63 | Low | 118 Ų | 118 | 93.1 Ų | 93.1 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 170.9 | -70.8 | 170.4 | -170.6 | 0 | 0 | 111.2 | Q476 K482 Q483 S484 | Q476-E480 PolarHBondContact O-N 3.21Å; E480-K482 PolarHBondContact O-N 3.11Å; E480-Q483 PolarHBondContact O-N 3.28Å; E480-S484 PolarHBondContact O-N 3.28Å |
| 481 | L | 63.1 | Low | 63.3 | Low | 83 Ų | 83 | 90 Ų | 90 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176 | -172.1 | 63.5 | 0 | 0 | 0 | 112 | A477 Q483 S484 Y485 | A477-L481 WeakPolarHBondContact O-CB 3.44Å; A477-L481 PolarHBondContact O-N 2.71Å; A477-L481 VanDerWaalsContact O-N 3.16Å; L481-Q483 PolarHBondContact O-N 2.98Å; L481-S484 PolarHBondContact O-N 3.16Å; L481-Y485 VanDerWaalsContact O-CB 3.31Å; L481-Y485 WeakPolarHBondContact O-CB 3.34Å; L481-Y485 PolarHBondContact O-N 3.46Å |
| 482 | K | 62.1 | Low | 63.8 | Low | 71 Ų | 71 | 87 Ų | 87 | 31% | 0.309 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 173.3 | -74.4 | 168 | -167.4 | 158.8 | 0 | 112.2 | L478 N479 E480 Y485 Q486 | L478-K482 VanDerWaalsContact O-CG 3.28Å; L478-K482 WeakPolarHBondContact O-CG 3.48Å; L478-K482 PolarHBondContact O-N 3.38Å; L478-K482 VanDerWaalsContact O-N 3.13Å; N479-K482 PolarHBondContact O-N 3.35Å; N479-K482 PolarHBondContact OD1-NZ 3.38Å; E480-K482 PolarHBondContact O-N 3.11Å; K482-Y485 WeakPolarHBondContact O-CB 3.29Å; K482-Y485 PolarHBondContact O-N 3.47Å; K482-Q486 WeakPolarHBondContact O-CG 3.39Å; K482-Q486 PolarHBondContact O-N 2.92Å |
| 483 | Q | 67.9 | Low | 63.9 | Low | 133 Ų | 133 | 82.2 Ų | 82.2 | 62% | 0.621 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 179.1 | -74.1 | -176.5 | -1.6 | 0 | 0 | 112 | N479 E480 L481 Y485 Q486 I487 | N479-Q483 PolarHBondContact O-N 3.09Å; E480-Q483 PolarHBondContact O-N 3.28Å; L481-Q483 PolarHBondContact O-N 2.98Å; Q483-Y485 PolarHBondContact O-N 3.43Å; Q483-Q486 PolarHBondContact O-N 3.07Å; Q483-I487 WeakPolarHBondContact O-CG1 3.4Å; Q483-I487 PolarHBondContact O-N 2.91Å |
| 484 | S | 63.5 | Low | 64.1 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 47% | 0.469 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | E480 L481 I487 L488 | E480-S484 PolarHBondContact O-N 3.28Å; L481-S484 PolarHBondContact O-N 3.16Å; S484-I487 PolarHBondContact O-N 2.85Å; S484-L488 PolarHBondContact O-N 2.71Å |
| 485 | Y | 57.8 | Low | 64.7 | Low | 48 Ų | 48 | 78.9 Ų | 78.9 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 178.1 | -158.1 | -87.1 | 0 | 0 | 0 | 113.1 | L481 K482 Q483 I487 L488 E489 Y937 V941 | L481-Y485 VanDerWaalsContact O-CB 3.31Å; L481-Y485 WeakPolarHBondContact O-CB 3.34Å; L481-Y485 PolarHBondContact O-N 3.46Å; K482-Y485 WeakPolarHBondContact O-CB 3.29Å; K482-Y485 PolarHBondContact O-N 3.47Å; Q483-Y485 PolarHBondContact O-N 3.43Å; Y485-I487 PolarHBondContact O-N 3.37Å; Y485-L488 PolarHBondContact O-N 2.76Å; Y485-E489 WeakPolarHBondContact O-CB 3.44Å; Y485-E489 PolarHBondContact O-N 3.39Å; Y485-Y937 AromaticContact CD1-CE1 3.99Å; Y485-Y937 HydrophobicContact CD1-CE1 3.99Å; Y485-Y937 AromaticContact CD1-CZ 3.9Å; Y485-Y937 WeakPolarHBondContact CD1-OH 3.33Å; Y485-Y937 AromaticContact CD2-CE1 3.85Å; Y485-Y937 HydrophobicContact CD2-CE1 3.85Å; Y485-Y937 HydrophobicContact CE1-CE1 4.1Å; Y485-Y937 AromaticContact CE2-CE1 3.96Å; Y485-Y937 HydrophobicContact CE2-CE1 3.96Å; Y485-Y937 AromaticContact CG-CE1 3.86Å; Y485-Y937 HydrophobicContact CG-CE1 3.86Å; Y485-V941 HydrophobicContact CE1-CB 4.19Å; Y485-V941 HydrophobicContact CE1-CG1 3.85Å; Y485-V941 HydrophobicContact CE1-CG2 3.8Å; Y485-V941 VanDerWaalsContact OH-CB 3.27Å; Y485-V941 WeakPolarHBondContact OH-CB 3.45Å; Y485-V941 WeakPolarHBondContact OH-CG1 3.27Å |
| 486 | Q | 64.5 | Low | 64.9 | Low | 80 Ų | 80 | 76.1 Ų | 76.1 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -28 | 178.6 | -72.5 | -173.2 | -81.9 | 0 | 0 | 113 | K482 Q483 C490 | K482-Q486 WeakPolarHBondContact O-CG 3.39Å; K482-Q486 PolarHBondContact O-N 2.92Å; Q483-Q486 PolarHBondContact O-N 3.07Å; Q486-C490 WeakPolarHBondContact O-CB 3.09Å; Q486-C490 PolarHBondContact O-N 3.22Å |
| 487 | I | 70.5 | Confident | 65.1 | Low | 126 Ų | 126 | 75 Ų | 75 | 65% | 0.646 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.3 | -44.8 | 174 | -65.1 | 167 | 0 | 0 | 0 | 110.7 | Q483 S484 Y485 C490 Q491 | Q483-I487 WeakPolarHBondContact O-CG1 3.4Å; Q483-I487 PolarHBondContact O-N 2.91Å; S484-I487 PolarHBondContact O-N 2.85Å; Y485-I487 PolarHBondContact O-N 3.37Å; I487-C490 PolarHBondContact O-N 3.4Å; I487-Q491 PolarHBondContact O-N 3.14Å |
| 488 | L | 63.2 | Low | 65.3 | Low | 92 Ų | 92 | 76.2 Ų | 76.2 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 175.8 | -79.8 | 162.6 | 0 | 0 | 0 | 112.4 | S484 Y485 Q491 T492 | S484-L488 PolarHBondContact O-N 2.71Å; Y485-L488 PolarHBondContact O-N 2.76Å; L488-Q491 PolarHBondContact O-N 2.91Å; L488-T492 VanDerWaalsContact O-CB 3.31Å; L488-T492 WeakPolarHBondContact O-CB 3.47Å; L488-T492 PolarHBondContact O-N 2.81Å; L488-T492 PolarHBondContact O-OG1 2.74Å |
| 489 | E | 60.8 | Low | 65.5 | Low | 48 Ų | 48 | 74.2 Ų | 74.2 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 174.6 | -173.6 | 172.8 | -146.6 | 0 | 0 | 110.9 | Y485 Q491 T492 A493 | Y485-E489 WeakPolarHBondContact O-CB 3.44Å; Y485-E489 PolarHBondContact O-N 3.39Å; E489-Q491 PolarHBondContact O-N 3.05Å; E489-T492 PolarHBondContact O-N 3.03Å; E489-A493 WeakPolarHBondContact O-CB 3.48Å; E489-A493 PolarHBondContact O-N 3.19Å |
| 490 | C | 65.4 | Low | 65.9 | Low | 61 Ų | 61 | 74.4 Ų | 74.4 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 175.1 | -179.5 | 0 | 0 | 0 | 0 | 113 | Q486 I487 K494 | Q486-C490 WeakPolarHBondContact O-CB 3.09Å; Q486-C490 PolarHBondContact O-N 3.22Å; I487-C490 PolarHBondContact O-N 3.4Å; C490-K494 WeakPolarHBondContact O-CD 3.49Å; C490-K494 WeakPolarHBondContact O-CG 3.23Å; C490-K494 PolarHBondContact O-N 3.18Å; C490-K494 PolarHBondContact SG-NZ 3.18Å; C490-K494 VanDerWaalsContact SG-NZ 3.43Å |
| 491 | Q | 64.9 | Low | 66.2 | Low | 89 Ų | 89 | 70.8 Ų | 70.8 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69 | -43.2 | 174.9 | -176 | 55.2 | 36.4 | 0 | 0 | 111.8 | I487 L488 E489 A493 K494 D495 | I487-Q491 PolarHBondContact O-N 3.14Å; L488-Q491 PolarHBondContact O-N 2.91Å; E489-Q491 PolarHBondContact O-N 3.05Å; Q491-A493 VanDerWaalsContact C-N 3.33Å; Q491-A493 PolarHBondContact O-N 2.88Å; Q491-K494 WeakPolarHBondContact O-CB 3.31Å; Q491-K494 PolarHBondContact O-N 2.84Å; Q491-D495 VanDerWaalsContact NE2-CG 3.28Å; Q491-D495 PolarHBondContact NE2-OD1 3.49Å; Q491-D495 PolarHBondContact NE2-OD2 3.5Å; Q491-D495 PolarHBondContact O-N 2.91Å |
| 492 | T | 63.8 | Low | 66.6 | Low | 40 Ų | 40 | 67.7 Ų | 67.7 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 178 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | L488 E489 D495 Q496 | L488-T492 VanDerWaalsContact O-CB 3.31Å; L488-T492 WeakPolarHBondContact O-CB 3.47Å; L488-T492 PolarHBondContact O-N 2.81Å; L488-T492 PolarHBondContact O-OG1 2.74Å; E489-T492 PolarHBondContact O-N 3.03Å; T492-D495 PolarHBondContact O-N 2.92Å; T492-Q496 WeakPolarHBondContact O-CB 3.31Å; T492-Q496 VanDerWaalsContact O-CG 3.29Å; T492-Q496 WeakPolarHBondContact O-CG 3.35Å; T492-Q496 PolarHBondContact O-N 2.73Å |
| 493 | A | 66.3 | Low | 67.1 | Low | 27 Ų | 27 | 67.3 Ų | 67.3 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E489 Q491 D495 Q496 I497 | E489-A493 WeakPolarHBondContact O-CB 3.48Å; E489-A493 PolarHBondContact O-N 3.19Å; Q491-A493 VanDerWaalsContact C-N 3.33Å; Q491-A493 PolarHBondContact O-N 2.88Å; A493-D495 PolarHBondContact O-N 3.07Å; A493-Q496 PolarHBondContact O-N 2.63Å; A493-I497 VanDerWaalsContact O-CG1 3.28Å; A493-I497 WeakPolarHBondContact O-CG1 3.36Å; A493-I497 PolarHBondContact O-N 2.75Å |
| 494 | K | 69.6 | Low | 67.5 | Low | 106 Ų | 106 | 66.2 Ų | 66.2 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 174.6 | -71.8 | 163.7 | -176 | 163.6 | 0 | 112 | C490 Q491 I497 N498 | C490-K494 WeakPolarHBondContact O-CD 3.49Å; C490-K494 WeakPolarHBondContact O-CG 3.23Å; C490-K494 PolarHBondContact O-N 3.18Å; C490-K494 PolarHBondContact SG-NZ 3.18Å; C490-K494 VanDerWaalsContact SG-NZ 3.43Å; Q491-K494 WeakPolarHBondContact O-CB 3.31Å; Q491-K494 PolarHBondContact O-N 2.84Å; K494-I497 PolarHBondContact O-N 2.95Å; K494-N498 WeakPolarHBondContact O-CB 3.25Å; K494-N498 VanDerWaalsContact O-CG 3.28Å; K494-N498 PolarHBondContact O-N 3.01Å; K494-N498 PolarHBondContact O-ND2 2.98Å; K494-N498 VanDerWaalsContact O-ND2 3.16Å |
| 495 | D | 66.1 | Low | 68.1 | Low | 31 Ų | 31 | 68.6 Ų | 68.6 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.4 | -30.9 | -179 | -69.3 | -30.1 | 0 | 0 | 0 | 112.5 | Q491 T492 A493 L499 L750 | Q491-D495 VanDerWaalsContact NE2-CG 3.28Å; Q491-D495 PolarHBondContact NE2-OD1 3.49Å; Q491-D495 PolarHBondContact NE2-OD2 3.5Å; Q491-D495 PolarHBondContact O-N 2.91Å; T492-D495 PolarHBondContact O-N 2.92Å; A493-D495 PolarHBondContact O-N 3.07Å; D495-L499 WeakPolarHBondContact O-CB 3.37Å; D495-L499 PolarHBondContact O-N 2.86Å; D495-L750 HydrophobicContact CB-CD2 4.42Å |
| 496 | Q | 66.6 | Low | 69 | Low | 43 Ų | 43 | 67 Ų | 67 | 20% | 0.201 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 169.2 | -73.9 | 177.8 | 13.6 | 0 | 0 | 112.3 | P8 T492 A493 L499 K500 | P8-Q496 HydrophobicContact CB-CB 4.38Å; T492-Q496 WeakPolarHBondContact O-CB 3.31Å; T492-Q496 VanDerWaalsContact O-CG 3.29Å; T492-Q496 WeakPolarHBondContact O-CG 3.35Å; T492-Q496 PolarHBondContact O-N 2.73Å; A493-Q496 PolarHBondContact O-N 2.63Å; Q496-L499 PolarHBondContact O-N 3.01Å; Q496-K500 PolarHBondContact O-N 3.33Å |
| 497 | I | 73.1 | Confident | 69.6 | Low | 95 Ų | 95 | 67.1 Ų | 67.1 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 174.6 | -69 | 163.6 | 0 | 0 | 0 | 110 | A493 K494 L499 K500 D501 | A493-I497 VanDerWaalsContact O-CG1 3.28Å; A493-I497 WeakPolarHBondContact O-CG1 3.36Å; A493-I497 PolarHBondContact O-N 2.75Å; K494-I497 PolarHBondContact O-N 2.95Å; I497-L499 VanDerWaalsContact C-N 3.28Å; I497-L499 PolarHBondContact O-N 2.63Å; I497-K500 PolarHBondContact O-N 3.32Å; I497-K500 VanDerWaalsContact O-N 3.15Å; I497-D501 WeakPolarHBondContact O-CB 3.48Å; I497-D501 PolarHBondContact O-N 2.9Å |
| 498 | N | 66.7 | Low | 70 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.9 | -39.2 | 175.4 | -76.5 | -36.8 | 0 | 0 | 0 | 112.4 | K494 V502 L750 | K494-N498 WeakPolarHBondContact O-CB 3.25Å; K494-N498 VanDerWaalsContact O-CG 3.28Å; K494-N498 PolarHBondContact O-N 3.01Å; K494-N498 PolarHBondContact O-ND2 2.98Å; K494-N498 VanDerWaalsContact O-ND2 3.16Å; N498-V502 WeakPolarHBondContact O-CB 3.11Å; N498-V502 VanDerWaalsContact O-CG2 3.27Å; N498-V502 WeakPolarHBondContact O-CG2 3.31Å; N498-V502 PolarHBondContact O-N 2.62Å; N498-L750 HydrophobicContact CB-CD2 4.39Å |
| 499 | L | 68.2 | Low | 70.5 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 175.7 | -171.2 | 155.1 | 0 | 0 | 0 | 111.6 | D495 Q496 I497 D501 V502 N503 L750 L754 | D495-L499 WeakPolarHBondContact O-CB 3.37Å; D495-L499 PolarHBondContact O-N 2.86Å; Q496-L499 PolarHBondContact O-N 3.01Å; I497-L499 VanDerWaalsContact C-N 3.28Å; I497-L499 PolarHBondContact O-N 2.63Å; L499-D501 VanDerWaalsContact C-N 3.32Å; L499-D501 PolarHBondContact O-N 2.82Å; L499-V502 PolarHBondContact O-N 2.98Å; L499-N503 VanDerWaalsContact O-CB 3.27Å; L499-N503 WeakPolarHBondContact O-CB 3.38Å; L499-N503 PolarHBondContact O-N 3.18Å; L499-L750 HydrophobicContact CB-CD1 4.39Å; L499-L750 HydrophobicContact CD1-CB 4.23Å; L499-L754 HydrophobicContact CD1-CD1 3.47Å; L499-L754 VanDerWaalsContact CD1-CD1 3.47Å |
| 500 | K | 73.3 | Confident | 71.3 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.4 | -69.6 | -167.7 | -176.8 | -164.9 | 0 | 111.7 | P8 E11 Q496 I497 N503 R504 | P8-K500 PolarHBondContact O-NZ 3.09Å; E11-K500 IonicContact OE2-NZ 3.77Å; E11-K500 PolarHBondContact OE2-NZ 2.94Å; Q496-K500 PolarHBondContact O-N 3.33Å; I497-K500 PolarHBondContact O-N 3.32Å; I497-K500 VanDerWaalsContact O-N 3.15Å; K500-N503 PolarHBondContact O-N 3.13Å; K500-R504 WeakPolarHBondContact O-CB 3.48Å; K500-R504 PolarHBondContact O-N 2.95Å |
| 501 | D | 73.7 | Confident | 72 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 177.6 | -117.3 | 48.6 | 0 | 0 | 0 | 113.2 | I497 L499 R504 R505 | I497-D501 WeakPolarHBondContact O-CB 3.48Å; I497-D501 PolarHBondContact O-N 2.9Å; L499-D501 VanDerWaalsContact C-N 3.32Å; L499-D501 PolarHBondContact O-N 2.82Å; D501-R504 VanDerWaalsContact CG-NH2 3.31Å; D501-R504 IonicContact OD1-CZ 2.73Å; D501-R504 IonicContact OD1-NH1 2.8Å; D501-R504 PolarHBondContact OD1-NH1 3.17Å; D501-R504 IonicContact OD1-NH2 3.58Å; D501-R504 PolarHBondContact OD1-NH2 3.11Å; D501-R504 IonicContact OD2-NH2 3.62Å; D501-R504 PolarHBondContact OD2-NH2 3.08Å; D501-R505 WeakPolarHBondContact O-CG 3.47Å; D501-R505 PolarHBondContact O-N 2.69Å; D501-R505 IonicContact OD2-CZ 2.73Å; D501-R505 IonicContact OD2-NE 2.64Å; D501-R505 IonicContact OD2-NH2 3.59Å; D501-R505 PolarHBondContact OD2-NH2 2.73Å |
| 502 | V | 71.7 | Confident | 72.8 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.2 | -36.3 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | N498 L499 L506 H743 R746 L747 L750 | N498-V502 WeakPolarHBondContact O-CB 3.11Å; N498-V502 VanDerWaalsContact O-CG2 3.27Å; N498-V502 WeakPolarHBondContact O-CG2 3.31Å; N498-V502 PolarHBondContact O-N 2.62Å; L499-V502 PolarHBondContact O-N 2.98Å; V502-L506 WeakPolarHBondContact O-CB 3.23Å; V502-L506 PolarHBondContact O-N 3.03Å; V502-H743 PolarHBondContact O-ND1 3.16Å; V502-R746 HydrophobicContact CG1-CB 3.9Å; V502-R746 HydrophobicContact CG2-CB 4.36Å; V502-L747 HydrophobicContact CG1-CB 4.07Å; V502-L750 HydrophobicContact CG2-CD1 4.27Å |
| 503 | N | 71.2 | Confident | 73.4 | Confident | 62 Ų | 62 | 62 Ų | 62 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.2 | -40.6 | 178.7 | -164.3 | 61.2 | 0 | 0 | 0 | 112.3 | L499 K500 L506 I507 L747 | L499-N503 VanDerWaalsContact O-CB 3.27Å; L499-N503 WeakPolarHBondContact O-CB 3.38Å; L499-N503 PolarHBondContact O-N 3.18Å; K500-N503 PolarHBondContact O-N 3.13Å; N503-L506 WeakPolarHBondContact O-CB 3.48Å; N503-L506 PolarHBondContact O-N 3.02Å; N503-I507 WeakPolarHBondContact O-CG1 3.36Å; N503-I507 PolarHBondContact O-N 3.34Å; N503-L747 HydrophobicContact CB-CD1 4.1Å; N503-L747 WeakPolarHBondContact OD1-CD1 3.17Å |
| 504 | R | 77.7 | Confident | 74.1 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.8 | -50.7 | 173.7 | -172.9 | 178 | 65.2 | -101.2 | 0.6 | 110.8 | K500 D501 L506 I507 E508 | K500-R504 WeakPolarHBondContact O-CB 3.48Å; K500-R504 PolarHBondContact O-N 2.95Å; D501-R504 VanDerWaalsContact CG-NH2 3.31Å; D501-R504 IonicContact OD1-CZ 2.73Å; D501-R504 IonicContact OD1-NH1 2.8Å; D501-R504 PolarHBondContact OD1-NH1 3.17Å; D501-R504 IonicContact OD1-NH2 3.58Å; D501-R504 PolarHBondContact OD1-NH2 3.11Å; D501-R504 IonicContact OD2-NH2 3.62Å; D501-R504 PolarHBondContact OD2-NH2 3.08Å; R504-L506 VanDerWaalsContact C-N 3.28Å; R504-L506 PolarHBondContact O-N 2.92Å; R504-I507 PolarHBondContact O-N 3.25Å; R504-I507 VanDerWaalsContact O-N 3.09Å; R504-E508 HydrophobicContact CG-CG 4.5Å; R504-E508 WeakPolarHBondContact CG-OE1 3.39Å; R504-E508 IonicContact NE-OE1 3.2Å; R504-E508 WeakPolarHBondContact O-CG 3.26Å; R504-E508 PolarHBondContact O-N 3.11Å |
| 505 | R | 75.5 | Confident | 74.8 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -29.5 | 176.4 | -64 | 178.5 | -148.1 | -158.1 | 8.2 | 113.8 | D501 E508 S509 H743 | D501-R505 WeakPolarHBondContact O-CG 3.47Å; D501-R505 PolarHBondContact O-N 2.69Å; D501-R505 IonicContact OD2-CZ 2.73Å; D501-R505 IonicContact OD2-NE 2.64Å; D501-R505 IonicContact OD2-NH2 3.59Å; D501-R505 PolarHBondContact OD2-NH2 2.73Å; R505-E508 VanDerWaalsContact CA-OE2 3.26Å; R505-E508 WeakPolarHBondContact CA-OE2 3.25Å; R505-E508 WeakPolarHBondContact CG-OE2 3.5Å; R505-S509 WeakPolarHBondContact O-CB 3.35Å; R505-S509 PolarHBondContact O-N 3.32Å; R505-S509 PolarHBondContact O-OG 2.94Å; R505-S509 VanDerWaalsContact O-OG 3.05Å; R505-H743 WeakPolarHBondContact CB-CE1 3.47Å |
| 506 | L | 75.3 | Confident | 75.5 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 172.2 | 179.3 | 67.9 | 0 | 0 | 0 | 111.2 | V502 N503 R504 Q510 L740 H743 R744 L747 | V502-L506 WeakPolarHBondContact O-CB 3.23Å; V502-L506 PolarHBondContact O-N 3.03Å; N503-L506 WeakPolarHBondContact O-CB 3.48Å; N503-L506 PolarHBondContact O-N 3.02Å; R504-L506 VanDerWaalsContact C-N 3.28Å; R504-L506 PolarHBondContact O-N 2.92Å; L506-Q510 WeakPolarHBondContact O-CB 3.4Å; L506-Q510 VanDerWaalsContact O-CG 3.31Å; L506-Q510 WeakPolarHBondContact O-CG 3.24Å; L506-Q510 PolarHBondContact O-N 3.46Å; L506-L740 HydrophobicContact CD1-CD2 3.71Å; L506-H743 HydrophobicContact CB-CB 4.19Å; L506-H743 HydrophobicContact CD1-CB 3.75Å; L506-R744 HydrophobicContact CD1-CG 3.77Å; L506-L747 HydrophobicContact CD2-CD1 4.09Å |
| 507 | I | 78 | Confident | 76.4 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 42% | 0.415 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.1 | -47.6 | 177.4 | -65.5 | 162.7 | 0 | 0 | 0 | 110.5 | N503 R504 S509 Q510 N511 | N503-I507 WeakPolarHBondContact O-CG1 3.36Å; N503-I507 PolarHBondContact O-N 3.34Å; R504-I507 PolarHBondContact O-N 3.25Å; R504-I507 VanDerWaalsContact O-N 3.09Å; I507-S509 PolarHBondContact O-N 2.77Å; I507-Q510 WeakPolarHBondContact O-CB 3.46Å; I507-Q510 PolarHBondContact O-N 2.95Å; I507-N511 PolarHBondContact O-N 2.81Å; I507-N511 PolarHBondContact O-OD1 2.98Å |
| 508 | E | 79.4 | Confident | 77 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -50.8 | -54.2 | 174.3 | -69.8 | 162.6 | 174.9 | 0 | 0 | 110.7 | R504 R505 Q510 N511 E512 | R504-E508 HydrophobicContact CG-CG 4.5Å; R504-E508 WeakPolarHBondContact CG-OE1 3.39Å; R504-E508 IonicContact NE-OE1 3.2Å; R504-E508 WeakPolarHBondContact O-CG 3.26Å; R504-E508 PolarHBondContact O-N 3.11Å; R505-E508 VanDerWaalsContact CA-OE2 3.26Å; R505-E508 WeakPolarHBondContact CA-OE2 3.25Å; R505-E508 WeakPolarHBondContact CG-OE2 3.5Å; E508-Q510 VanDerWaalsContact C-N 3.3Å; E508-Q510 PolarHBondContact O-N 3.38Å; E508-N511 PolarHBondContact O-N 3.23Å; E508-E512 WeakPolarHBondContact O-CG 3.41Å; E508-E512 PolarHBondContact O-N 2.85Å; E508-E512 VanDerWaalsContact O-N 3.13Å |
| 509 | S | 73.5 | Confident | 77.8 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -24 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 114.6 | R505 I507 L513 | R505-S509 WeakPolarHBondContact O-CB 3.35Å; R505-S509 PolarHBondContact O-N 3.32Å; R505-S509 PolarHBondContact O-OG 2.94Å; R505-S509 VanDerWaalsContact O-OG 3.05Å; I507-S509 PolarHBondContact O-N 2.77Å; S509-L513 WeakPolarHBondContact O-CB 3.48Å; S509-L513 PolarHBondContact O-N 2.9Å |
| 510 | Q | 78.2 | Confident | 78.6 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.4 | -45.7 | 175.5 | -83.9 | -175.4 | -138.4 | 0 | 0 | 110.7 | L506 I507 E508 E512 L513 E514 L740 | L506-Q510 WeakPolarHBondContact O-CB 3.4Å; L506-Q510 VanDerWaalsContact O-CG 3.31Å; L506-Q510 WeakPolarHBondContact O-CG 3.24Å; L506-Q510 PolarHBondContact O-N 3.46Å; I507-Q510 WeakPolarHBondContact O-CB 3.46Å; I507-Q510 PolarHBondContact O-N 2.95Å; E508-Q510 VanDerWaalsContact C-N 3.3Å; E508-Q510 PolarHBondContact O-N 3.38Å; Q510-E512 PolarHBondContact O-N 3.44Å; Q510-L513 PolarHBondContact O-N 2.74Å; Q510-E514 PolarHBondContact O-N 3.39Å; Q510-L740 HydrophobicContact CB-CD2 4.4Å; Q510-L740 HydrophobicContact CG-CD1 4.4Å; Q510-L740 HydrophobicContact CG-CD2 3.56Å |
| 511 | N | 80.1 | Confident | 79.1 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.8 | -64.6 | -2.7 | 0 | 0 | 0 | 110.7 | I507 E508 L513 E514 Q515 | I507-N511 PolarHBondContact O-N 2.81Å; I507-N511 PolarHBondContact O-OD1 2.98Å; E508-N511 PolarHBondContact O-N 3.23Å; N511-L513 PolarHBondContact O-N 2.84Å; N511-E514 PolarHBondContact O-N 3.5Å; N511-Q515 WeakPolarHBondContact O-CG 3.38Å; N511-Q515 PolarHBondContact O-N 3.02Å |
| 512 | E | 79.8 | Confident | 79.7 | Confident | 86 Ų | 86 | 69 Ų | 69 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 174.5 | -70.7 | 174.6 | 147 | 0 | 0 | 112.6 | E508 Q510 E514 Q515 L516 K736 | E508-E512 WeakPolarHBondContact O-CG 3.41Å; E508-E512 PolarHBondContact O-N 2.85Å; E508-E512 VanDerWaalsContact O-N 3.13Å; Q510-E512 PolarHBondContact O-N 3.44Å; E512-E514 VanDerWaalsContact C-N 3.31Å; E512-E514 PolarHBondContact O-N 2.74Å; E512-Q515 PolarHBondContact O-N 3.37Å; E512-L516 WeakPolarHBondContact O-CB 3.46Å; E512-L516 WeakPolarHBondContact O-CG 3.28Å; E512-L516 PolarHBondContact O-N 2.83Å; E512-K736 HydrophobicContact CB-CD 4.4Å; E512-K736 IonicContact OE1-NZ 3.03Å; E512-K736 WeakPolarHBondContact OE2-CD 3.45Å; E512-K736 WeakPolarHBondContact OE2-CE 3.39Å; E512-K736 IonicContact OE2-NZ 2.61Å; E512-K736 PolarHBondContact OE2-NZ 3.32Å |
| 513 | L | 78.4 | Confident | 80.1 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -35.6 | 177.6 | -171.4 | 79.8 | 0 | 0 | 0 | 111.8 | S509 Q510 N511 K517 L733 K736 D737 L740 | S509-L513 WeakPolarHBondContact O-CB 3.48Å; S509-L513 PolarHBondContact O-N 2.9Å; Q510-L513 PolarHBondContact O-N 2.74Å; N511-L513 PolarHBondContact O-N 2.84Å; L513-K517 VanDerWaalsContact O-CG 3.29Å; L513-K517 WeakPolarHBondContact O-CG 3.41Å; L513-K517 PolarHBondContact O-N 2.77Å; L513-K517 VanDerWaalsContact O-N 3.1Å; L513-L733 HydrophobicContact CD1-CD2 3.86Å; L513-L733 HydrophobicContact CG-CD2 4.46Å; L513-K736 HydrophobicContact CB-CB 4.49Å; L513-K736 HydrophobicContact CD1-CB 3.8Å; L513-D737 VanDerWaalsContact CD2-OD1 3.27Å; L513-D737 WeakPolarHBondContact CD2-OD1 3.47Å; L513-L740 HydrophobicContact CB-CD1 3.97Å; L513-L740 HydrophobicContact CD2-CD1 3.57Å; L513-L740 HydrophobicContact CG-CD1 4.23Å |
| 514 | E | 80.6 | Confident | 80.6 | Confident | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.1 | -71.8 | -178.8 | -171.7 | 0 | 0 | 112.1 | Q510 N511 E512 L516 K517 I518 | Q510-E514 PolarHBondContact O-N 3.39Å; N511-E514 PolarHBondContact O-N 3.5Å; E512-E514 VanDerWaalsContact C-N 3.31Å; E512-E514 PolarHBondContact O-N 2.74Å; E514-L516 PolarHBondContact O-N 2.93Å; E514-K517 WeakPolarHBondContact O-CB 3.24Å; E514-K517 PolarHBondContact O-N 3.19Å; E514-I518 WeakPolarHBondContact O-CG1 3.38Å; E514-I518 PolarHBondContact O-N 3.43Å; E514-I518 VanDerWaalsContact O-N 3.09Å |
| 515 | Q | 83.4 | Confident | 81 | Confident | 115 Ų | 115 | 69 Ų | 69 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 170.7 | -66.3 | -61.4 | -24.6 | 0 | 0 | 112.1 | N511 E512 K517 I518 N519 | N511-Q515 WeakPolarHBondContact O-CG 3.38Å; N511-Q515 PolarHBondContact O-N 3.02Å; E512-Q515 PolarHBondContact O-N 3.37Å; Q515-K517 VanDerWaalsContact C-N 3.26Å; Q515-K517 PolarHBondContact O-N 2.84Å; Q515-I518 PolarHBondContact O-N 2.96Å; Q515-N519 VanDerWaalsContact O-CG 3.28Å; Q515-N519 PolarHBondContact O-N 3.24Å; Q515-N519 PolarHBondContact O-ND2 2.81Å |
| 516 | L | 81.6 | Confident | 81.5 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -31 | 175.9 | -73.6 | 169.8 | 0 | 0 | 0 | 113 | E512 E514 K520 L729 Q732 L733 K736 | E512-L516 WeakPolarHBondContact O-CB 3.46Å; E512-L516 WeakPolarHBondContact O-CG 3.28Å; E512-L516 PolarHBondContact O-N 2.83Å; E514-L516 PolarHBondContact O-N 2.93Å; L516-K520 PolarHBondContact O-N 2.84Å; L516-K520 VanDerWaalsContact O-N 3.09Å; L516-L729 HydrophobicContact CD2-CD2 3.9Å; L516-Q732 HydrophobicContact CD1-CB 4.01Å; L516-Q732 HydrophobicContact CD2-CB 4.02Å; L516-L733 HydrophobicContact CB-CD2 3.47Å; L516-L733 VanDerWaalsContact CB-CD2 3.47Å; L516-L733 HydrophobicContact CB-CG 3.93Å; L516-K736 HydrophobicContact CD1-CG 4.09Å |
| 517 | K | 84.5 | Confident | 82 | Confident | 89 Ų | 89 | 68.5 Ų | 68.5 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.5 | -40 | 174.1 | -75.2 | 164 | -174.8 | 161.2 | 0 | 112.2 | L513 E514 Q515 K520 I521 L733 | L513-K517 VanDerWaalsContact O-CG 3.29Å; L513-K517 WeakPolarHBondContact O-CG 3.41Å; L513-K517 PolarHBondContact O-N 2.77Å; L513-K517 VanDerWaalsContact O-N 3.1Å; E514-K517 WeakPolarHBondContact O-CB 3.24Å; E514-K517 PolarHBondContact O-N 3.19Å; Q515-K517 VanDerWaalsContact C-N 3.26Å; Q515-K517 PolarHBondContact O-N 2.84Å; K517-K520 PolarHBondContact O-N 3.06Å; K517-I521 WeakPolarHBondContact O-CG1 3.18Å; K517-I521 PolarHBondContact O-N 3.23Å; K517-I521 VanDerWaalsContact O-N 3.11Å; K517-L733 HydrophobicContact CG-CD2 3.83Å |
| 518 | I | 85.7 | Confident | 82.4 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 41% | 0.41 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 174.8 | -65.3 | 165.6 | 0 | 0 | 0 | 109.5 | E514 Q515 K520 I521 E522 | E514-I518 WeakPolarHBondContact O-CG1 3.38Å; E514-I518 PolarHBondContact O-N 3.43Å; E514-I518 VanDerWaalsContact O-N 3.09Å; Q515-I518 PolarHBondContact O-N 2.96Å; I518-K520 VanDerWaalsContact C-N 3.25Å; I518-K520 PolarHBondContact O-N 3.4Å; I518-I521 WeakPolarHBondContact O-CB 3.29Å; I518-I521 PolarHBondContact O-N 3.22Å; I518-E522 PolarHBondContact O-N 3.13Å |
| 519 | N | 83.6 | Confident | 82.7 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.3 | -38.6 | 177 | -67 | -17.7 | 0 | 0 | 0 | 112.7 | Q515 S523 L729 | Q515-N519 VanDerWaalsContact O-CG 3.28Å; Q515-N519 PolarHBondContact O-N 3.24Å; Q515-N519 PolarHBondContact O-ND2 2.81Å; N519-S523 WeakPolarHBondContact O-CB 3.44Å; N519-S523 PolarHBondContact O-N 3.03Å; N519-L729 HydrophobicContact CB-CD1 4.15Å; N519-L729 HydrophobicContact CB-CD2 3.95Å |
| 520 | K | 85 | Confident | 83.3 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 173.5 | 176.5 | 174 | 173.4 | 175.6 | 0 | 112.3 | L516 K517 I518 E522 S523 D524 E730 L733 | L516-K520 PolarHBondContact O-N 2.84Å; L516-K520 VanDerWaalsContact O-N 3.09Å; K517-K520 PolarHBondContact O-N 3.06Å; I518-K520 VanDerWaalsContact C-N 3.25Å; I518-K520 PolarHBondContact O-N 3.4Å; K520-E522 VanDerWaalsContact C-N 3.33Å; K520-E522 PolarHBondContact O-N 3.4Å; K520-S523 PolarHBondContact O-N 2.98Å; K520-D524 WeakPolarHBondContact CE-OD2 3.44Å; K520-D524 PolarHBondContact O-N 3.09Å; K520-E730 HydrophobicContact CD-CG 4.46Å; K520-E730 IonicContact NZ-OE1 3.74Å; K520-E730 PolarHBondContact NZ-OE1 3.33Å; K520-L733 HydrophobicContact CB-CD1 4.2Å; K520-L733 HydrophobicContact CD-CD1 3.84Å |
| 521 | I | 85.2 | Confident | 83.7 | Confident | 98 Ų | 98 | 69 Ų | 69 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 179.6 | -68.8 | 164.9 | 0 | 0 | 0 | 110.6 | K517 I518 D524 Q525 | K517-I521 WeakPolarHBondContact O-CG1 3.18Å; K517-I521 PolarHBondContact O-N 3.23Å; K517-I521 VanDerWaalsContact O-N 3.11Å; I518-I521 WeakPolarHBondContact O-CB 3.29Å; I518-I521 PolarHBondContact O-N 3.22Å; I521-D524 PolarHBondContact O-N 3.07Å; I521-Q525 WeakPolarHBondContact O-CG 3.44Å; I521-Q525 PolarHBondContact O-N 3.09Å |
| 522 | E | 85 | Confident | 84 | Confident | 70 Ų | 70 | 71 Ų | 71 | 33% | 0.327 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.4 | -66.8 | -171.4 | -177.6 | 0 | 0 | 112 | I518 K520 D524 Q525 Q526 | I518-E522 PolarHBondContact O-N 3.13Å; K520-E522 VanDerWaalsContact C-N 3.33Å; K520-E522 PolarHBondContact O-N 3.4Å; E522-D524 PolarHBondContact O-N 3.01Å; E522-Q525 PolarHBondContact O-N 3.3Å; E522-Q526 WeakPolarHBondContact O-CG 3.43Å; E522-Q526 PolarHBondContact O-N 3.1Å |
| 523 | S | 79.6 | Confident | 84.4 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.8 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | N519 K520 Q525 Q526 L527 | N519-S523 WeakPolarHBondContact O-CB 3.44Å; N519-S523 PolarHBondContact O-N 3.03Å; K520-S523 PolarHBondContact O-N 2.98Å; S523-Q525 PolarHBondContact O-N 3.17Å; S523-Q526 PolarHBondContact O-N 3.45Å; S523-L527 WeakPolarHBondContact O-CB 3.17Å; S523-L527 PolarHBondContact O-N 3.49Å |
| 524 | D | 83.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 71.4 Ų | 71.4 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 174.9 | -85.3 | -39.9 | 0 | 0 | 0 | 112.5 | K520 I521 E522 S528 K726 | K520-D524 WeakPolarHBondContact CE-OD2 3.44Å; K520-D524 PolarHBondContact O-N 3.09Å; I521-D524 PolarHBondContact O-N 3.07Å; E522-D524 PolarHBondContact O-N 3.01Å; D524-S528 PolarHBondContact O-N 2.85Å; D524-S528 VanDerWaalsContact O-N 3.08Å; D524-K726 VanDerWaalsContact OD1-CE 3.26Å; D524-K726 WeakPolarHBondContact OD1-CE 3.32Å; D524-K726 IonicContact OD1-NZ 3.65Å; D524-K726 PolarHBondContact OD1-NZ 3.18Å |
| 525 | Q | 86.5 | Confident | 85 | Confident | 130 Ų | 130 | 69.4 Ų | 69.4 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.5 | -44.7 | 173.5 | -71.2 | 176.9 | 30.9 | 0 | 0 | 112.3 | I521 E522 S523 L527 S528 S529 | I521-Q525 WeakPolarHBondContact O-CG 3.44Å; I521-Q525 PolarHBondContact O-N 3.09Å; E522-Q525 PolarHBondContact O-N 3.3Å; S523-Q525 PolarHBondContact O-N 3.17Å; Q525-L527 VanDerWaalsContact C-N 3.34Å; Q525-L527 PolarHBondContact O-N 3.09Å; Q525-S528 PolarHBondContact O-N 3.27Å; Q525-S529 PolarHBondContact O-N 3.35Å |
| 526 | Q | 85.8 | Confident | 85.2 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.8 | -70.9 | 175.6 | 18.4 | 0 | 0 | 111.1 | E522 S523 S528 S529 I530 T722 | E522-Q526 WeakPolarHBondContact O-CG 3.43Å; E522-Q526 PolarHBondContact O-N 3.1Å; S523-Q526 PolarHBondContact O-N 3.45Å; Q526-S528 VanDerWaalsContact C-N 3.33Å; Q526-S528 PolarHBondContact O-N 2.95Å; Q526-S529 WeakPolarHBondContact O-CB 3.46Å; Q526-S529 PolarHBondContact O-N 3.37Å; Q526-S529 VanDerWaalsContact O-N 3.12Å; Q526-I530 WeakPolarHBondContact O-CG1 3.27Å; Q526-I530 PolarHBondContact O-N 3.28Å; Q526-T722 HydrophobicContact CB-CG2 4.2Å |
| 527 | L | 85.5 | Confident | 85.5 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 177.8 | -163.3 | 79.6 | 0 | 0 | 0 | 111.5 | S523 Q525 S529 I530 Y531 L719 T722 M723 K726 | S523-L527 WeakPolarHBondContact O-CB 3.17Å; S523-L527 PolarHBondContact O-N 3.49Å; Q525-L527 VanDerWaalsContact C-N 3.34Å; Q525-L527 PolarHBondContact O-N 3.09Å; L527-S529 VanDerWaalsContact C-N 3.35Å; L527-S529 PolarHBondContact O-N 3.01Å; L527-I530 PolarHBondContact O-N 3.38Å; L527-Y531 HydrophobicContact CD1-CE2 4.29Å; L527-Y531 HydrophobicContact CD2-CE2 3.92Å; L527-Y531 HydrophobicContact CG-CD2 4.07Å; L527-Y531 HydrophobicContact CG-CE2 3.69Å; L527-Y531 WeakPolarHBondContact O-CD2 3.31Å; L527-Y531 PolarHBondContact O-N 2.95Å; L527-L719 HydrophobicContact CD1-CD1 3.64Å; L527-L719 HydrophobicContact CG-CD1 4.42Å; L527-T722 HydrophobicContact CB-CG2 4.36Å; L527-T722 HydrophobicContact CD1-CG2 4.04Å; L527-M723 HydrophobicContact CD1-CG 3.64Å; L527-K726 HydrophobicContact CD2-CD 4.4Å |
| 528 | S | 85.4 | Confident | 85.6 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | D524 Q525 Q526 Q532 | D524-S528 PolarHBondContact O-N 2.85Å; D524-S528 VanDerWaalsContact O-N 3.08Å; Q525-S528 PolarHBondContact O-N 3.27Å; Q526-S528 VanDerWaalsContact C-N 3.33Å; Q526-S528 PolarHBondContact O-N 2.95Å; S528-Q532 WeakPolarHBondContact O-CG 3.45Å; S528-Q532 PolarHBondContact O-N 3.47Å |
| 529 | S | 86.3 | Confident | 85.7 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | Q525 Q526 L527 Y531 Q532 Q533 | Q525-S529 PolarHBondContact O-N 3.35Å; Q526-S529 WeakPolarHBondContact O-CB 3.46Å; Q526-S529 PolarHBondContact O-N 3.37Å; Q526-S529 VanDerWaalsContact O-N 3.12Å; L527-S529 VanDerWaalsContact C-N 3.35Å; L527-S529 PolarHBondContact O-N 3.01Å; S529-Y531 PolarHBondContact O-N 3.1Å; S529-Q532 PolarHBondContact O-N 3.45Å; S529-Q533 WeakPolarHBondContact O-CG 3.33Å; S529-Q533 PolarHBondContact O-N 3.21Å |
| 530 | I | 86.3 | Confident | 85.9 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | -179.6 | -61.9 | 165.2 | 0 | 0 | 0 | 110.7 | Q526 L527 Q532 Q533 L534 L719 | Q526-I530 WeakPolarHBondContact O-CG1 3.27Å; Q526-I530 PolarHBondContact O-N 3.28Å; L527-I530 PolarHBondContact O-N 3.38Å; I530-Q532 VanDerWaalsContact C-N 3.33Å; I530-Q532 PolarHBondContact O-N 3.17Å; I530-Q533 PolarHBondContact O-N 3.22Å; I530-L534 HydrophobicContact CG2-CD1 4Å; I530-L534 HydrophobicContact CG2-CG 4.47Å; I530-L534 WeakPolarHBondContact O-CB 3.48Å; I530-L534 WeakPolarHBondContact O-CG 3.33Å; I530-L534 PolarHBondContact O-N 3.28Å; I530-L719 HydrophobicContact CB-CD1 4.41Å; I530-L719 HydrophobicContact CG2-CB 3.76Å; I530-L719 HydrophobicContact CG2-CD1 4.04Å; I530-L719 HydrophobicContact CG2-CG 4.46Å |
| 531 | Y | 85.5 | Confident | 86 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 173 | -80.8 | -52.7 | 0 | 0 | 0 | 113.4 | L527 S529 S535 L719 | L527-Y531 HydrophobicContact CD1-CE2 4.29Å; L527-Y531 HydrophobicContact CD2-CE2 3.92Å; L527-Y531 HydrophobicContact CG-CD2 4.07Å; L527-Y531 HydrophobicContact CG-CE2 3.69Å; L527-Y531 WeakPolarHBondContact O-CD2 3.31Å; L527-Y531 PolarHBondContact O-N 2.95Å; S529-Y531 PolarHBondContact O-N 3.1Å; Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.39Å; Y531-S535 VanDerWaalsContact O-N 3.07Å; Y531-L719 HydrophobicContact CD1-CD1 4.31Å; Y531-L719 HydrophobicContact CD1-CD2 4.21Å; Y531-L719 HydrophobicContact CE1-CD1 3.96Å; Y531-L719 HydrophobicContact CE1-CD2 3.62Å; Y531-L719 HydrophobicContact CE1-CG 4.45Å; Y531-L719 HydrophobicContact CE2-CD1 4.22Å |
| 532 | Q | 87 | Confident | 86.1 | Confident | 133 Ų | 133 | 70.9 Ų | 70.9 | 62% | 0.621 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.3 | -44.5 | 174.8 | -73.8 | 175.9 | -3 | 0 | 0 | 111.5 | S528 S529 I530 S535 S536 | S528-Q532 WeakPolarHBondContact O-CG 3.45Å; S528-Q532 PolarHBondContact O-N 3.47Å; S529-Q532 PolarHBondContact O-N 3.45Å; I530-Q532 VanDerWaalsContact C-N 3.33Å; I530-Q532 PolarHBondContact O-N 3.17Å; Q532-S535 PolarHBondContact O-N 3.48Å; Q532-S536 PolarHBondContact O-N 3.35Å; Q532-S536 PolarHBondContact O-OG 3.12Å |
| 533 | Q | 87.6 | Confident | 86.3 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.1 | -71.6 | 173.2 | -24.9 | 0 | 0 | 112.5 | S529 I530 S535 S536 L537 | S529-Q533 WeakPolarHBondContact O-CG 3.33Å; S529-Q533 PolarHBondContact O-N 3.21Å; I530-Q533 PolarHBondContact O-N 3.22Å; Q533-S535 VanDerWaalsContact C-N 3.32Å; Q533-S535 PolarHBondContact O-N 3.31Å; Q533-S536 WeakPolarHBondContact CA-OG 3.48Å; Q533-S536 PolarHBondContact O-N 3.29Å; Q533-S536 PolarHBondContact O-OG 3.07Å; Q533-L537 WeakPolarHBondContact O-CG 3.44Å; Q533-L537 PolarHBondContact O-N 3.02Å |
| 534 | L | 86.8 | Confident | 86.7 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 174 | -80.3 | 165.3 | 0 | 0 | 0 | 111.4 | I530 S536 L537 Q538 L712 T715 E716 L719 | I530-L534 HydrophobicContact CG2-CD1 4Å; I530-L534 HydrophobicContact CG2-CG 4.47Å; I530-L534 WeakPolarHBondContact O-CB 3.48Å; I530-L534 WeakPolarHBondContact O-CG 3.33Å; I530-L534 PolarHBondContact O-N 3.28Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 3.48Å; L534-L537 PolarHBondContact O-N 3.49Å; L534-Q538 WeakPolarHBondContact O-CB 3.49Å; L534-Q538 WeakPolarHBondContact O-CG 3.42Å; L534-Q538 PolarHBondContact O-N 2.86Å; L534-L712 HydrophobicContact CD2-CD2 4.29Å; L534-T715 WeakPolarHBondContact CD2-OG1 3.31Å; L534-E716 HydrophobicContact CD2-CG 3.66Å; L534-L719 HydrophobicContact CD1-CB 4.13Å; L534-L719 HydrophobicContact CD1-CD2 3.65Å; L534-L719 HydrophobicContact CD1-CG 4.38Å |
| 535 | S | 86.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 75.5 Ų | 75.5 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.6 | -31.9 | 178.7 | -171.7 | 0 | 0 | 0 | 0 | 113.3 | Y531 Q532 Q533 L539 | Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.39Å; Y531-S535 VanDerWaalsContact O-N 3.07Å; Q532-S535 PolarHBondContact O-N 3.48Å; Q533-S535 VanDerWaalsContact C-N 3.32Å; Q533-S535 PolarHBondContact O-N 3.31Å; S535-L539 WeakPolarHBondContact O-CD1 3.45Å; S535-L539 WeakPolarHBondContact O-CG 3.38Å |
| 536 | S | 87.1 | Confident | 86.9 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 47% | 0.469 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.6 | -46.1 | 174.4 | 45.4 | 0 | 0 | 0 | 0 | 112.2 | Q532 Q533 L534 Q538 L539 E540 | Q532-S536 PolarHBondContact O-N 3.35Å; Q532-S536 PolarHBondContact O-OG 3.12Å; Q533-S536 WeakPolarHBondContact CA-OG 3.48Å; Q533-S536 PolarHBondContact O-N 3.29Å; Q533-S536 PolarHBondContact O-OG 3.07Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 3.48Å; S536-Q538 VanDerWaalsContact C-N 3.3Å; S536-Q538 PolarHBondContact O-N 3.38Å; S536-L539 PolarHBondContact O-N 2.85Å; S536-E540 PolarHBondContact O-N 2.89Å |
| 537 | L | 86.9 | Confident | 87 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -33.3 | -179.2 | -67.8 | 167.5 | 0 | 0 | 0 | 112.2 | Q533 L534 R541 L708 T711 L712 T715 | Q533-L537 WeakPolarHBondContact O-CG 3.44Å; Q533-L537 PolarHBondContact O-N 3.02Å; L534-L537 PolarHBondContact O-N 3.49Å; L537-R541 WeakPolarHBondContact O-CB 3.21Å; L537-R541 PolarHBondContact O-N 2.78Å; L537-L708 HydrophobicContact CD2-CD1 3.7Å; L537-T711 HydrophobicContact CD1-CG2 4.1Å; L537-T711 HydrophobicContact CD2-CG2 4.21Å; L537-L712 HydrophobicContact CB-CD2 3.49Å; L537-L712 VanDerWaalsContact CB-CD2 3.49Å; L537-L712 HydrophobicContact CB-CG 3.94Å; L537-L712 HydrophobicContact CD1-CD2 4.47Å; L537-T715 HydrophobicContact CD1-CG2 3.92Å |
| 538 | Q | 86.5 | Confident | 87.1 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 33% | 0.327 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 174.3 | -74.3 | 173.8 | -0.9 | 0 | 0 | 112.3 | L534 S536 R541 D542 L712 | L534-Q538 WeakPolarHBondContact O-CB 3.49Å; L534-Q538 WeakPolarHBondContact O-CG 3.42Å; L534-Q538 PolarHBondContact O-N 2.86Å; S536-Q538 VanDerWaalsContact C-N 3.3Å; S536-Q538 PolarHBondContact O-N 3.38Å; Q538-R541 PolarHBondContact O-N 2.66Å; Q538-D542 WeakPolarHBondContact O-CB 3.29Å; Q538-D542 VanDerWaalsContact O-CG 3.22Å; Q538-D542 PolarHBondContact O-N 2.98Å; Q538-L712 HydrophobicContact CG-CD2 3.86Å |
| 539 | L | 88 | Confident | 87.3 | Confident | 120 Ų | 120 | 73.7 Ų | 73.7 | 63% | 0.628 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.4 | -38.7 | 175.4 | -73 | 169 | 0 | 0 | 0 | 112.1 | S535 S536 D542 H543 | S535-L539 WeakPolarHBondContact O-CD1 3.45Å; S535-L539 WeakPolarHBondContact O-CG 3.38Å; S536-L539 PolarHBondContact O-N 2.85Å; L539-D542 PolarHBondContact O-N 2.88Å; L539-H543 PolarHBondContact O-N 3.38Å; L539-H543 VanDerWaalsContact O-N 3.1Å |
| 540 | E | 88.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 76 Ų | 76 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 175.9 | -170.1 | 175.4 | -175.3 | 0 | 0 | 111.6 | S536 H543 L544 L708 | S536-E540 PolarHBondContact O-N 2.89Å; E540-H543 PolarHBondContact O-N 3.08Å; E540-L544 WeakPolarHBondContact O-CB 3.13Å; E540-L544 PolarHBondContact O-N 2.84Å; E540-L708 HydrophobicContact CB-CD2 4.05Å; E540-L708 HydrophobicContact CG-CD1 4.31Å; E540-L708 HydrophobicContact CG-CD2 3.82Å |
| 541 | R | 87.8 | Confident | 87.4 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 27% | 0.272 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 173.1 | 179.1 | -155.6 | 65.5 | -153 | -4.5 | 111.6 | L537 Q538 H543 L544 Q545 L708 L712 | L537-R541 WeakPolarHBondContact O-CB 3.21Å; L537-R541 PolarHBondContact O-N 2.78Å; Q538-R541 PolarHBondContact O-N 2.66Å; R541-H543 PolarHBondContact O-N 2.96Å; R541-L544 PolarHBondContact O-N 2.9Å; R541-Q545 HydrophobicContact CG-CG 4.26Å; R541-Q545 WeakPolarHBondContact O-CB 3.31Å; R541-Q545 WeakPolarHBondContact O-CG 3.49Å; R541-Q545 PolarHBondContact O-N 2.7Å; R541-L708 HydrophobicContact CB-CD2 3.95Å; R541-L712 HydrophobicContact CB-CD1 4.03Å; R541-L712 HydrophobicContact CG-CD1 4.35Å |
| 542 | D | 87.3 | Confident | 87.5 | Confident | 82 Ų | 82 | 75.3 Ų | 75.3 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -30.3 | -175.8 | -71.3 | -4.8 | 0 | 0 | 0 | 112 | Q538 L539 S546 | Q538-D542 WeakPolarHBondContact O-CB 3.29Å; Q538-D542 VanDerWaalsContact O-CG 3.22Å; Q538-D542 PolarHBondContact O-N 2.98Å; L539-D542 PolarHBondContact O-N 2.88Å; D542-S546 PolarHBondContact O-N 3.28Å |
| 543 | H | 88.5 | Confident | 87.6 | Confident | 120 Ų | 120 | 73.2 Ų | 73.2 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.1 | -51.5 | 169.8 | -168.7 | -13.4 | 0 | 0 | 0 | 111.6 | L539 E540 R541 Q545 S546 D547 | L539-H543 PolarHBondContact O-N 3.38Å; L539-H543 VanDerWaalsContact O-N 3.1Å; E540-H543 PolarHBondContact O-N 3.08Å; R541-H543 PolarHBondContact O-N 2.96Å; H543-Q545 VanDerWaalsContact C-N 3.3Å; H543-Q545 PolarHBondContact O-N 3.35Å; H543-S546 WeakPolarHBondContact O-CA 3.25Å; H543-S546 VanDerWaalsContact O-CB 3.29Å; H543-S546 WeakPolarHBondContact O-CB 3.45Å; H543-S546 PolarHBondContact O-N 3.08Å; H543-D547 IonicContact CE1-OD1 3.52Å; H543-D547 PolarHBondContact CE1-OD1 3.11Å; H543-D547 VanDerWaalsContact CE1-OD1 3.3Å; H543-D547 IonicContact CE1-OD2 3.22Å; H543-D547 PolarHBondContact CE1-OD2 2.61Å; H543-D547 IonicContact ND1-OD1 2.84Å; H543-D547 PolarHBondContact ND1-OD1 2.72Å; H543-D547 IonicContact ND1-OD2 3.61Å; H543-D547 PolarHBondContact ND1-OD2 3.48Å; H543-D547 PolarHBondContact O-N 3.05Å; H543-D547 VanDerWaalsContact O-OD1 3.11Å |
| 544 | L | 87.9 | Confident | 87.6 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -35.8 | -177.2 | -175.3 | 58.9 | 0 | 0 | 0 | 112.7 | E540 R541 S546 D547 L548 M701 E705 | E540-L544 WeakPolarHBondContact O-CB 3.13Å; E540-L544 PolarHBondContact O-N 2.84Å; R541-L544 PolarHBondContact O-N 2.9Å; L544-S546 VanDerWaalsContact C-N 3.35Å; L544-D547 PolarHBondContact O-N 2.82Å; L544-L548 HydrophobicContact CG-CD1 4.48Å; L544-L548 WeakPolarHBondContact O-CB 3.33Å; L544-L548 WeakPolarHBondContact O-CG 3.29Å; L544-L548 PolarHBondContact O-N 3.47Å; L544-M701 HydrophobicContact CD1-CE 4.27Å; L544-E705 HydrophobicContact CD2-CB 4.05Å |
| 545 | Q | 87.1 | Confident | 87.6 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.2 | -30.6 | 172.9 | -74.7 | -171.9 | -18 | 0 | 0 | 113.2 | R541 H543 K549 E705 | R541-Q545 HydrophobicContact CG-CG 4.26Å; R541-Q545 WeakPolarHBondContact O-CB 3.31Å; R541-Q545 WeakPolarHBondContact O-CG 3.49Å; R541-Q545 PolarHBondContact O-N 2.7Å; H543-Q545 VanDerWaalsContact C-N 3.3Å; H543-Q545 PolarHBondContact O-N 3.35Å; Q545-K549 WeakPolarHBondContact O-CB 3.23Å; Q545-K549 PolarHBondContact O-N 2.82Å; Q545-E705 VanDerWaalsContact CG-OE1 3.31Å; Q545-E705 WeakPolarHBondContact CG-OE1 3.29Å; Q545-E705 PolarHBondContact NE2-OE1 2.61Å |
| 546 | S | 86.8 | Confident | 87.7 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67 | -44.9 | 171.8 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | D542 H543 L544 K549 E550 | D542-S546 PolarHBondContact O-N 3.28Å; H543-S546 WeakPolarHBondContact O-CA 3.25Å; H543-S546 VanDerWaalsContact O-CB 3.29Å; H543-S546 WeakPolarHBondContact O-CB 3.45Å; H543-S546 PolarHBondContact O-N 3.08Å; L544-S546 VanDerWaalsContact C-N 3.35Å; S546-K549 PolarHBondContact O-N 2.68Å; S546-E550 PolarHBondContact O-N 2.84Å; S546-E550 VanDerWaalsContact O-N 3.11Å |
| 547 | D | 88.1 | Confident | 87.8 | Confident | 58 Ų | 58 | 78 Ų | 78 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.5 | -41 | -175.6 | -62.2 | 9.9 | 0 | 0 | 0 | 111.7 | H543 L544 K549 E550 M551 M701 | H543-D547 IonicContact CE1-OD1 3.52Å; H543-D547 PolarHBondContact CE1-OD1 3.11Å; H543-D547 VanDerWaalsContact CE1-OD1 3.3Å; H543-D547 IonicContact CE1-OD2 3.22Å; H543-D547 PolarHBondContact CE1-OD2 2.61Å; H543-D547 IonicContact ND1-OD1 2.84Å; H543-D547 PolarHBondContact ND1-OD1 2.72Å; H543-D547 IonicContact ND1-OD2 3.61Å; H543-D547 PolarHBondContact ND1-OD2 3.48Å; H543-D547 PolarHBondContact O-N 3.05Å; H543-D547 VanDerWaalsContact O-OD1 3.11Å; L544-D547 PolarHBondContact O-N 2.82Å; D547-K549 VanDerWaalsContact C-N 3.32Å; D547-K549 PolarHBondContact O-N 3.28Å; D547-E550 PolarHBondContact O-N 2.89Å; D547-M551 PolarHBondContact O-N 3.2Å; D547-M701 HydrophobicContact CB-CE 3.57Å |
| 548 | L | 87.6 | Confident | 87.8 | Confident | 12 Ų | 12 | 77.2 Ų | 77.2 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -53.7 | -49.4 | 171.5 | -87.5 | 170.7 | 0 | 0 | 0 | 111.5 | L544 E550 M551 E552 L698 M701 K702 E705 | L544-L548 HydrophobicContact CG-CD1 4.48Å; L544-L548 WeakPolarHBondContact O-CB 3.33Å; L544-L548 WeakPolarHBondContact O-CG 3.29Å; L544-L548 PolarHBondContact O-N 3.47Å; L548-E550 VanDerWaalsContact C-N 3.3Å; L548-E550 PolarHBondContact O-N 2.81Å; L548-M551 WeakPolarHBondContact O-CA 3.38Å; L548-M551 WeakPolarHBondContact O-CB 3.31Å; L548-M551 PolarHBondContact O-N 3.24Å; L548-M551 VanDerWaalsContact O-N 3.09Å; L548-E552 PolarHBondContact O-N 2.93Å; L548-L698 HydrophobicContact CD2-CD1 3.73Å; L548-M701 HydrophobicContact CD2-CB 3.46Å; L548-M701 VanDerWaalsContact CD2-CB 3.46Å; L548-M701 HydrophobicContact CD2-CE 4.43Å; L548-M701 HydrophobicContact CG-CB 4.11Å; L548-M701 HydrophobicContact CG-CE 4.28Å; L548-K702 HydrophobicContact CD2-CG 3.94Å; L548-E705 HydrophobicContact CD1-CB 3.87Å; L548-E705 HydrophobicContact CD1-CG 4.18Å; L548-E705 WeakPolarHBondContact CD1-OE2 3.3Å |
| 549 | K | 89 | Confident | 87.7 | Confident | 131 Ų | 131 | 76.5 Ų | 76.5 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.8 | -32.4 | 179.7 | -177.6 | -179.7 | 177.3 | -175.1 | 0 | 112.8 | Q545 S546 D547 I553 | Q545-K549 WeakPolarHBondContact O-CB 3.23Å; Q545-K549 PolarHBondContact O-N 2.82Å; S546-K549 PolarHBondContact O-N 2.68Å; D547-K549 VanDerWaalsContact C-N 3.32Å; D547-K549 PolarHBondContact O-N 3.28Å; K549-I553 HydrophobicContact CG-CD1 4.4Å; K549-I553 WeakPolarHBondContact O-CD1 3.45Å; K549-I553 VanDerWaalsContact O-CG1 3.3Å; K549-I553 WeakPolarHBondContact O-CG1 3.49Å; K549-I553 PolarHBondContact O-N 3.27Å |
| 550 | E | 88.8 | Confident | 87.7 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 48% | 0.477 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 171.8 | -155.7 | -164.7 | 137 | 0 | 0 | 111.2 | S546 D547 L548 I553 R554 | S546-E550 PolarHBondContact O-N 2.84Å; S546-E550 VanDerWaalsContact O-N 3.11Å; D547-E550 PolarHBondContact O-N 2.89Å; L548-E550 VanDerWaalsContact C-N 3.3Å; L548-E550 PolarHBondContact O-N 2.81Å; E550-I553 PolarHBondContact O-N 3.24Å; E550-R554 VanDerWaalsContact O-CG 3.28Å; E550-R554 WeakPolarHBondContact O-CG 3.23Å; E550-R554 PolarHBondContact O-N 3.48Å; E550-R554 IonicContact OE1-CZ 2.69Å; E550-R554 IonicContact OE1-NE 3.92Å; E550-R554 PolarHBondContact OE1-NE 3.42Å; E550-R554 IonicContact OE1-NH2 3.16Å; E550-R554 PolarHBondContact OE1-NH2 2.82Å; E550-R554 IonicContact OE2-NH2 3.88Å |
| 551 | M | 86.6 | Confident | 87.6 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 15% | 0.153 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174.8 | -68.7 | -61.7 | -158.8 | 0 | 0 | 112.8 | D547 L548 I553 R554 L555 L698 M701 | D547-M551 PolarHBondContact O-N 3.2Å; L548-M551 WeakPolarHBondContact O-CA 3.38Å; L548-M551 WeakPolarHBondContact O-CB 3.31Å; L548-M551 PolarHBondContact O-N 3.24Å; L548-M551 VanDerWaalsContact O-N 3.09Å; M551-I553 PolarHBondContact O-N 3.36Å; M551-R554 PolarHBondContact O-N 2.76Å; M551-R554 PolarHBondContact SD-NH1 2.73Å; M551-L555 WeakPolarHBondContact O-CB 3.44Å; M551-L555 PolarHBondContact O-N 2.8Å; M551-L698 HydrophobicContact CB-CD1 3.92Å; M551-M701 HydrophobicContact CE-SD 4.1Å; M551-M701 HydrophobicContact CG-CE 4.18Å; M551-M701 HydrophobicContact CG-SD 3.84Å |
| 552 | E | 87.3 | Confident | 87.4 | Confident | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 172.7 | -71 | -176.1 | 149.8 | 0 | 0 | 112.1 | L548 L555 Q556 L698 | L548-E552 PolarHBondContact O-N 2.93Å; E552-L555 PolarHBondContact O-N 2.91Å; E552-Q556 WeakPolarHBondContact O-CB 3.39Å; E552-Q556 VanDerWaalsContact O-CG 3.29Å; E552-Q556 WeakPolarHBondContact O-CG 3.5Å; E552-Q556 PolarHBondContact O-N 2.83Å; E552-L698 HydrophobicContact CG-CD1 4.18Å; E552-L698 HydrophobicContact CG-CD2 4.47Å |
| 553 | I | 88.9 | Confident | 87.3 | Confident | 88 Ų | 88 | 71 Ų | 71 | 45% | 0.451 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.6 | -68.4 | 165.2 | 0 | 0 | 0 | 110.9 | K549 E550 M551 T557 | K549-I553 HydrophobicContact CG-CD1 4.4Å; K549-I553 WeakPolarHBondContact O-CD1 3.45Å; K549-I553 VanDerWaalsContact O-CG1 3.3Å; K549-I553 WeakPolarHBondContact O-CG1 3.49Å; K549-I553 PolarHBondContact O-N 3.27Å; E550-I553 PolarHBondContact O-N 3.24Å; M551-I553 PolarHBondContact O-N 3.36Å; I553-T557 WeakPolarHBondContact O-CB 3.37Å; I553-T557 PolarHBondContact O-N 2.96Å; I553-T557 PolarHBondContact O-OG1 2.65Å |
| 554 | R | 87.9 | Confident | 87 | Confident | 114 Ų | 114 | 69 Ų | 69 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.6 | -69.6 | 166 | 179.2 | -164.2 | 2.2 | 111.3 | E550 M551 T557 I558 | E550-R554 VanDerWaalsContact O-CG 3.28Å; E550-R554 WeakPolarHBondContact O-CG 3.23Å; E550-R554 PolarHBondContact O-N 3.48Å; E550-R554 IonicContact OE1-CZ 2.69Å; E550-R554 IonicContact OE1-NE 3.92Å; E550-R554 PolarHBondContact OE1-NE 3.42Å; E550-R554 IonicContact OE1-NH2 3.16Å; E550-R554 PolarHBondContact OE1-NH2 2.82Å; E550-R554 IonicContact OE2-NH2 3.88Å; M551-R554 PolarHBondContact O-N 2.76Å; M551-R554 PolarHBondContact SD-NH1 2.73Å; R554-T557 WeakPolarHBondContact O-CB 3.45Å; R554-T557 PolarHBondContact O-N 2.64Å; R554-I558 WeakPolarHBondContact O-CG1 3.37Å; R554-I558 PolarHBondContact O-N 2.95Å |
| 555 | L | 87.5 | Confident | 86.7 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | -179.8 | -160.5 | 161.6 | 0 | 0 | 0 | 111.5 | M551 E552 T557 I558 N559 Y691 N695 L698 | M551-L555 WeakPolarHBondContact O-CB 3.44Å; M551-L555 PolarHBondContact O-N 2.8Å; E552-L555 PolarHBondContact O-N 2.91Å; L555-T557 VanDerWaalsContact C-N 3.27Å; L555-T557 PolarHBondContact O-N 2.73Å; L555-I558 PolarHBondContact O-N 3.18Å; L555-I558 VanDerWaalsContact O-N 3.13Å; L555-N559 PolarHBondContact O-N 3.34Å; L555-Y691 HydrophobicContact CD2-CD2 4.22Å; L555-Y691 HydrophobicContact CD2-CE2 3.62Å; L555-Y691 HydrophobicContact CG-CE2 4.36Å; L555-N695 HydrophobicContact CD1-CB 3.98Å; L555-L698 HydrophobicContact CD1-CD2 3.65Å |
| 556 | Q | 87.4 | Confident | 86.3 | Confident | 127 Ų | 127 | 70.9 Ų | 70.9 | 59% | 0.593 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56.6 | -40.6 | 171 | -72.8 | 170.7 | 15.2 | 0 | 0 | 112.2 | E552 N559 L560 | E552-Q556 WeakPolarHBondContact O-CB 3.39Å; E552-Q556 VanDerWaalsContact O-CG 3.29Å; E552-Q556 WeakPolarHBondContact O-CG 3.5Å; E552-Q556 PolarHBondContact O-N 2.83Å; Q556-N559 PolarHBondContact O-N 3.24Å; Q556-L560 PolarHBondContact O-N 2.82Å |
| 557 | T | 88.6 | Confident | 86.1 | Confident | 73 Ų | 73 | 73 Ų | 73 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 176.8 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | I553 R554 L555 N561 | I553-T557 WeakPolarHBondContact O-CB 3.37Å; I553-T557 PolarHBondContact O-N 2.96Å; I553-T557 PolarHBondContact O-OG1 2.65Å; R554-T557 WeakPolarHBondContact O-CB 3.45Å; R554-T557 PolarHBondContact O-N 2.64Å; L555-T557 VanDerWaalsContact C-N 3.27Å; L555-T557 PolarHBondContact O-N 2.73Å; T557-N561 VanDerWaalsContact O-CG 3.31Å; T557-N561 PolarHBondContact O-N 2.82Å |
| 558 | I | 86.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 175.7 | -66 | 160.1 | 0 | 0 | 0 | 110.6 | R554 L555 N561 L562 K690 Y691 T694 | R554-I558 WeakPolarHBondContact O-CG1 3.37Å; R554-I558 PolarHBondContact O-N 2.95Å; L555-I558 PolarHBondContact O-N 3.18Å; L555-I558 VanDerWaalsContact O-N 3.13Å; I558-N561 PolarHBondContact O-N 3.2Å; I558-L562 WeakPolarHBondContact O-CB 3.25Å; I558-L562 PolarHBondContact O-N 2.8Å; I558-K690 HydrophobicContact CD1-CD 4.17Å; I558-K690 HydrophobicContact CD1-CG 3.95Å; I558-K690 HydrophobicContact CG1-CD 4.34Å; I558-Y691 HydrophobicContact CG2-CD2 4.26Å; I558-T694 HydrophobicContact CD1-CG2 3.83Å; I558-T694 WeakPolarHBondContact CD1-OG1 3.4Å |
| 559 | N | 86.2 | Confident | 85.3 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.1 | -156 | 98.3 | 0 | 0 | 0 | 111.9 | L555 Q556 N561 L562 D563 | L555-N559 PolarHBondContact O-N 3.34Å; Q556-N559 PolarHBondContact O-N 3.24Å; N559-N561 VanDerWaalsContact C-N 3.29Å; N559-N561 PolarHBondContact O-N 2.6Å; N559-L562 CarbonylContact O-C 3.54Å; N559-L562 WeakPolarHBondContact O-CA 3.4Å; N559-L562 VanDerWaalsContact O-CB 3.29Å; N559-L562 WeakPolarHBondContact O-CB 3.41Å; N559-L562 PolarHBondContact O-N 3.02Å; N559-D563 PolarHBondContact ND2-OD2 2.85Å; N559-D563 VanDerWaalsContact O-CG 3.29Å; N559-D563 PolarHBondContact O-N 3.21Å; N559-D563 VanDerWaalsContact O-OD2 3.12Å |
| 560 | L | 87.4 | Confident | 84.9 | Confident | 99 Ų | 99 | 71.3 Ų | 71.3 | 52% | 0.518 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 175.6 | 179.5 | 62.4 | 0 | 0 | 0 | 112.1 | Q556 L562 N564 | Q556-L560 PolarHBondContact O-N 2.82Å; L560-L562 VanDerWaalsContact C-N 3.35Å; L560-N564 WeakPolarHBondContact O-CB 3.36Å; L560-N564 PolarHBondContact O-N 2.79Å; L560-N564 VanDerWaalsContact O-N 3.09Å; L560-N564 PolarHBondContact O-ND2 2.86Å |
| 561 | N | 85.2 | Confident | 84.7 | Confident | 68 Ų | 68 | 70 Ų | 70 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 173.4 | -67.8 | -9.7 | 0 | 0 | 0 | 111.7 | T557 I558 N559 N564 E565 | T557-N561 VanDerWaalsContact O-CG 3.31Å; T557-N561 PolarHBondContact O-N 2.82Å; I558-N561 PolarHBondContact O-N 3.2Å; N559-N561 VanDerWaalsContact C-N 3.29Å; N559-N561 PolarHBondContact O-N 2.6Å; N561-N564 PolarHBondContact O-N 2.83Å; N561-E565 WeakPolarHBondContact O-CG 3.19Å; N561-E565 PolarHBondContact O-N 2.9Å |
| 562 | L | 84.7 | Confident | 84.5 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 177.8 | -159.3 | 77.9 | 0 | 0 | 0 | 111.8 | I558 N559 L560 N564 E565 Y566 N684 N687 I688 | I558-L562 WeakPolarHBondContact O-CB 3.25Å; I558-L562 PolarHBondContact O-N 2.8Å; N559-L562 CarbonylContact O-C 3.54Å; N559-L562 WeakPolarHBondContact O-CA 3.4Å; N559-L562 VanDerWaalsContact O-CB 3.29Å; N559-L562 WeakPolarHBondContact O-CB 3.41Å; N559-L562 PolarHBondContact O-N 3.02Å; L560-L562 VanDerWaalsContact C-N 3.35Å; L562-N564 VanDerWaalsContact C-N 3.34Å; L562-N564 PolarHBondContact O-N 3.37Å; L562-E565 PolarHBondContact O-N 2.8Å; L562-Y566 HydrophobicContact CD1-CE2 4.37Å; L562-Y566 HydrophobicContact CD2-CE2 3.84Å; L562-Y566 HydrophobicContact CG-CD2 4.05Å; L562-Y566 HydrophobicContact CG-CE2 3.65Å; L562-Y566 WeakPolarHBondContact O-CD2 3.47Å; L562-Y566 PolarHBondContact O-N 3.47Å; L562-N684 VanDerWaalsContact CD1-OD1 3.32Å; L562-N684 WeakPolarHBondContact CD1-OD1 3.49Å; L562-N687 HydrophobicContact CD1-CB 3.83Å; L562-I688 HydrophobicContact CD1-CG1 3.78Å |
| 563 | D | 84 | Confident | 84.1 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176 | -64.9 | -41 | 0 | 0 | 0 | 111.3 | N559 Y566 H567 | N559-D563 PolarHBondContact ND2-OD2 2.85Å; N559-D563 VanDerWaalsContact O-CG 3.29Å; N559-D563 PolarHBondContact O-N 3.21Å; N559-D563 VanDerWaalsContact O-OD2 3.12Å; D563-Y566 PolarHBondContact O-N 3.05Å; D563-H567 PolarHBondContact O-N 3.05Å |
| 564 | N | 84 | Confident | 84 | Confident | 77 Ų | 77 | 69 Ų | 69 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.1 | -70.9 | -31.3 | 0 | 0 | 0 | 111.9 | L560 N561 L562 H567 N568 | L560-N564 WeakPolarHBondContact O-CB 3.36Å; L560-N564 PolarHBondContact O-N 2.79Å; L560-N564 VanDerWaalsContact O-N 3.09Å; L560-N564 PolarHBondContact O-ND2 2.86Å; N561-N564 PolarHBondContact O-N 2.83Å; L562-N564 VanDerWaalsContact C-N 3.34Å; L562-N564 PolarHBondContact O-N 3.37Å; N564-H567 WeakPolarHBondContact O-CB 3.19Å; N564-H567 PolarHBondContact O-N 3.43Å; N564-N568 PolarHBondContact O-N 3.25Å; N564-N568 PolarHBondContact O-ND2 2.93Å; N564-N568 PolarHBondContact O-OD1 3.47Å |
| 565 | E | 80.1 | Confident | 83.7 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.1 | -33.2 | 178.8 | -65.8 | -47.8 | 151 | 0 | 0 | 112.9 | N561 L562 H567 N568 N569 L683 | N561-E565 WeakPolarHBondContact O-CG 3.19Å; N561-E565 PolarHBondContact O-N 2.9Å; L562-E565 PolarHBondContact O-N 2.8Å; E565-H567 VanDerWaalsContact C-N 3.33Å; E565-N568 PolarHBondContact O-N 3.26Å; E565-N568 PolarHBondContact OE2-ND2 2.79Å; E565-N569 VanDerWaalsContact O-CB 3.26Å; E565-N569 WeakPolarHBondContact O-CB 3.34Å; E565-N569 PolarHBondContact O-N 3.02Å; E565-L683 HydrophobicContact CG-CD2 4.22Å; E565-L683 HydrophobicContact CG-CG 4.34Å; E565-L683 WeakPolarHBondContact OE1-CD2 3.34Å |
| 566 | Y | 78.2 | Confident | 83.3 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 47% | 0.467 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 169.9 | -80.4 | -56.8 | 0 | 0 | 0 | 112 | L562 D563 S570 N684 | L562-Y566 HydrophobicContact CD1-CE2 4.37Å; L562-Y566 HydrophobicContact CD2-CE2 3.84Å; L562-Y566 HydrophobicContact CG-CD2 4.05Å; L562-Y566 HydrophobicContact CG-CE2 3.65Å; L562-Y566 WeakPolarHBondContact O-CD2 3.47Å; L562-Y566 PolarHBondContact O-N 3.47Å; D563-Y566 PolarHBondContact O-N 3.05Å; Y566-S570 WeakPolarHBondContact O-CB 3.24Å; Y566-S570 PolarHBondContact O-N 3.03Å; Y566-N684 VanDerWaalsContact CE1-ND2 3.28Å; Y566-N684 WeakPolarHBondContact CE1-ND2 3.35Å |
| 567 | H | 83.8 | Confident | 83 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.8 | -47.8 | 175.3 | -168.6 | 57.1 | 0 | 0 | 0 | 111.6 | D563 N564 E565 N569 S570 I571 | D563-H567 PolarHBondContact O-N 3.05Å; N564-H567 WeakPolarHBondContact O-CB 3.19Å; N564-H567 PolarHBondContact O-N 3.43Å; E565-H567 VanDerWaalsContact C-N 3.33Å; H567-N569 PolarHBondContact O-N 3.29Å; H567-S570 PolarHBondContact O-N 2.67Å; H567-I571 WeakPolarHBondContact O-CG1 3.34Å; H567-I571 PolarHBondContact O-N 2.91Å |
| 568 | N | 79.4 | Confident | 82.8 | Confident | 66 Ų | 66 | 68.3 Ų | 68.3 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 174.5 | -66.3 | -20.6 | 0 | 0 | 0 | 111.6 | N564 E565 S570 I571 L572 T680 | N564-N568 PolarHBondContact O-N 3.25Å; N564-N568 PolarHBondContact O-ND2 2.93Å; N564-N568 PolarHBondContact O-OD1 3.47Å; E565-N568 PolarHBondContact O-N 3.26Å; E565-N568 PolarHBondContact OE2-ND2 2.79Å; N568-S570 VanDerWaalsContact C-N 3.32Å; N568-S570 PolarHBondContact O-N 2.63Å; N568-I571 PolarHBondContact O-N 3.07Å; N568-L572 WeakPolarHBondContact O-CG 3.45Å; N568-L572 PolarHBondContact O-N 3.3Å; N568-T680 HydrophobicContact CB-CG2 4.41Å |
| 569 | N | 78.7 | Confident | 82.4 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 179.6 | -156.6 | -74.9 | 0 | 0 | 0 | 111.6 | E565 H567 K573 T680 | E565-N569 VanDerWaalsContact O-CB 3.26Å; E565-N569 WeakPolarHBondContact O-CB 3.34Å; E565-N569 PolarHBondContact O-N 3.02Å; H567-N569 PolarHBondContact O-N 3.29Å; N569-K573 WeakPolarHBondContact O-CB 3.33Å; N569-K573 PolarHBondContact O-N 3.23Å; N569-T680 HydrophobicContact CB-CG2 3.95Å |
| 570 | S | 80.2 | Confident | 82 | Confident | 69 Ų | 69 | 71 Ų | 71 | 48% | 0.483 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 175.8 | -167.5 | 0 | 0 | 0 | 0 | 112.8 | Y566 H567 N568 T574 | Y566-S570 WeakPolarHBondContact O-CB 3.24Å; Y566-S570 PolarHBondContact O-N 3.03Å; H567-S570 PolarHBondContact O-N 2.67Å; N568-S570 VanDerWaalsContact C-N 3.32Å; N568-S570 PolarHBondContact O-N 2.63Å; S570-T574 WeakPolarHBondContact O-CB 3.43Å; S570-T574 PolarHBondContact O-N 2.98Å; S570-T574 VanDerWaalsContact O-N 3.09Å; S570-T574 PolarHBondContact O-OG1 3.29Å |
| 571 | I | 85 | Confident | 81.8 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.8 | -57.5 | 174.5 | -67.3 | 165.4 | 0 | 0 | 0 | 109.8 | H567 N568 K573 T574 D575 | H567-I571 WeakPolarHBondContact O-CG1 3.34Å; H567-I571 PolarHBondContact O-N 2.91Å; N568-I571 PolarHBondContact O-N 3.07Å; I571-K573 PolarHBondContact O-N 3.03Å; I571-T574 CarbonylContact O-C 3.59Å; I571-T574 WeakPolarHBondContact O-CA 3.31Å; I571-T574 WeakPolarHBondContact O-CB 3.03Å; I571-T574 PolarHBondContact O-N 3.41Å; I571-D575 WeakPolarHBondContact CG2-OD2 3.33Å; I571-D575 PolarHBondContact O-N 2.92Å |
| 572 | L | 82.3 | Confident | 81.6 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.3 | -39.8 | -179.8 | -70.3 | 171.4 | 0 | 0 | 0 | 112.7 | N568 K576 L673 Q676 L677 | N568-L572 WeakPolarHBondContact O-CG 3.45Å; N568-L572 PolarHBondContact O-N 3.3Å; L572-K576 VanDerWaalsContact O-CB 3.26Å; L572-K576 WeakPolarHBondContact O-CB 3.5Å; L572-K576 PolarHBondContact O-N 3.49Å; L572-L673 HydrophobicContact CD2-CD2 3.75Å; L572-Q676 HydrophobicContact CD1-CB 4.31Å; L572-Q676 HydrophobicContact CD2-CB 4.35Å; L572-L677 HydrophobicContact CB-CD1 4.47Å |
| 573 | K | 80.2 | Confident | 81.2 | Confident | 107 Ų | 107 | 75 Ų | 75 | 47% | 0.465 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 173.9 | -179.2 | -179.2 | 168.4 | -174.8 | 0 | 112.1 | N569 I571 K576 E577 | N569-K573 WeakPolarHBondContact O-CB 3.33Å; N569-K573 PolarHBondContact O-N 3.23Å; I571-K573 PolarHBondContact O-N 3.03Å; K573-K576 PolarHBondContact O-N 3.2Å; K573-E577 WeakPolarHBondContact CE-OE1 3.33Å; K573-E577 IonicContact NZ-OE1 3.96Å; K573-E577 WeakPolarHBondContact O-CB 3.46Å; K573-E577 WeakPolarHBondContact O-CG 3.3Å; K573-E577 PolarHBondContact O-N 3.39Å |
| 574 | T | 85.1 | Confident | 80.9 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 37% | 0.368 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | S570 I571 E577 Q578 | S570-T574 WeakPolarHBondContact O-CB 3.43Å; S570-T574 PolarHBondContact O-N 2.98Å; S570-T574 VanDerWaalsContact O-N 3.09Å; S570-T574 PolarHBondContact O-OG1 3.29Å; I571-T574 CarbonylContact O-C 3.59Å; I571-T574 WeakPolarHBondContact O-CA 3.31Å; I571-T574 WeakPolarHBondContact O-CB 3.03Å; I571-T574 PolarHBondContact O-N 3.41Å; T574-E577 PolarHBondContact O-N 3.45Å; T574-Q578 WeakPolarHBondContact O-CG 3.48Å; T574-Q578 PolarHBondContact O-N 3.46Å |
| 575 | D | 81.8 | Confident | 80.7 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 178.8 | -66 | -19.1 | 0 | 0 | 0 | 111.1 | I571 Q578 L579 | I571-D575 WeakPolarHBondContact CG2-OD2 3.33Å; I571-D575 PolarHBondContact O-N 2.92Å; D575-Q578 PolarHBondContact O-N 2.99Å; D575-L579 WeakPolarHBondContact O-CB 3.19Å; D575-L579 WeakPolarHBondContact O-CG 3.31Å; D575-L579 PolarHBondContact O-N 3.45Å |
| 576 | K | 80.2 | Confident | 80.5 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 169.6 | 176.4 | -175.8 | 178.2 | -76.3 | 0 | 111.9 | L572 K573 Q578 L579 E580 | L572-K576 VanDerWaalsContact O-CB 3.26Å; L572-K576 WeakPolarHBondContact O-CB 3.5Å; L572-K576 PolarHBondContact O-N 3.49Å; K573-K576 PolarHBondContact O-N 3.2Å; K576-Q578 VanDerWaalsContact C-N 3.33Å; K576-Q578 PolarHBondContact O-N 3.44Å; K576-L579 PolarHBondContact O-N 3.09Å; K576-E580 VanDerWaalsContact CE-OE1 3.23Å; K576-E580 WeakPolarHBondContact CE-OE1 3.47Å; K576-E580 HydrophobicContact CG-CG 4.46Å; K576-E580 IonicContact NZ-OE1 2.83Å; K576-E580 PolarHBondContact NZ-OE1 3.29Å; K576-E580 IonicContact NZ-OE2 2.72Å; K576-E580 PolarHBondContact NZ-OE2 3.04Å; K576-E580 WeakPolarHBondContact O-CB 3.38Å; K576-E580 WeakPolarHBondContact O-CG 3.4Å; K576-E580 PolarHBondContact O-N 3.25Å |
| 577 | E | 81.5 | Confident | 80.3 | Confident | 93 Ų | 93 | 77.8 Ų | 77.8 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 180 | -76.4 | 175.8 | -176.9 | 0 | 0 | 111.7 | K573 T574 L581 | K573-E577 WeakPolarHBondContact CE-OE1 3.33Å; K573-E577 IonicContact NZ-OE1 3.96Å; K573-E577 WeakPolarHBondContact O-CB 3.46Å; K573-E577 WeakPolarHBondContact O-CG 3.3Å; K573-E577 PolarHBondContact O-N 3.39Å; T574-E577 PolarHBondContact O-N 3.45Å; E577-L581 WeakPolarHBondContact O-CB 3.16Å; E577-L581 WeakPolarHBondContact O-CG 3.48Å; E577-L581 PolarHBondContact O-N 3.38Å |
| 578 | Q | 83.4 | Confident | 80.1 | Confident | 120 Ų | 120 | 77 Ų | 77 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 172.7 | -75.2 | -175.5 | 48.6 | 0 | 0 | 112.6 | T574 D575 K576 R582 | T574-Q578 WeakPolarHBondContact O-CG 3.48Å; T574-Q578 PolarHBondContact O-N 3.46Å; D575-Q578 PolarHBondContact O-N 2.99Å; K576-Q578 VanDerWaalsContact C-N 3.33Å; K576-Q578 PolarHBondContact O-N 3.44Å; Q578-R582 VanDerWaalsContact O-CB 3.29Å; Q578-R582 WeakPolarHBondContact O-CB 3.45Å; Q578-R582 PolarHBondContact O-N 2.96Å |
| 579 | L | 79.1 | Confident | 80 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 177.4 | -73 | 165.1 | 0 | 0 | 0 | 112 | D575 K576 R582 I583 L666 V670 L673 | D575-L579 WeakPolarHBondContact O-CB 3.19Å; D575-L579 WeakPolarHBondContact O-CG 3.31Å; D575-L579 PolarHBondContact O-N 3.45Å; K576-L579 PolarHBondContact O-N 3.09Å; L579-R582 PolarHBondContact O-N 3.1Å; L579-R582 VanDerWaalsContact O-N 3.16Å; L579-I583 VanDerWaalsContact O-CG1 3.28Å; L579-I583 WeakPolarHBondContact O-CG1 2.78Å; L579-I583 PolarHBondContact O-N 3.28Å; L579-L666 HydrophobicContact CD2-CD1 3.85Å; L579-V670 HydrophobicContact CB-CG2 4.27Å; L579-L673 HydrophobicContact CD1-CD1 3.34Å |
| 580 | E | 78.2 | Confident | 79.6 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 173.1 | -74.4 | 176.1 | 153.6 | 0 | 0 | 111.5 | K576 R582 I583 H584 | K576-E580 VanDerWaalsContact CE-OE1 3.23Å; K576-E580 WeakPolarHBondContact CE-OE1 3.47Å; K576-E580 HydrophobicContact CG-CG 4.46Å; K576-E580 IonicContact NZ-OE1 2.83Å; K576-E580 PolarHBondContact NZ-OE1 3.29Å; K576-E580 IonicContact NZ-OE2 2.72Å; K576-E580 PolarHBondContact NZ-OE2 3.04Å; K576-E580 WeakPolarHBondContact O-CB 3.38Å; K576-E580 WeakPolarHBondContact O-CG 3.4Å; K576-E580 PolarHBondContact O-N 3.25Å; E580-R582 VanDerWaalsContact C-N 3.32Å; E580-R582 PolarHBondContact O-N 3.13Å; E580-I583 PolarHBondContact O-N 3.35Å; E580-H584 PolarHBondContact O-N 3.1Å |
| 581 | L | 81.8 | Confident | 79.5 | Confident | 109 Ų | 109 | 80 Ų | 80 | 57% | 0.571 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.5 | -40.4 | 169.5 | -86.3 | 162.8 | 0 | 0 | 0 | 112.1 | E577 H584 Q585 | E577-L581 WeakPolarHBondContact O-CB 3.16Å; E577-L581 WeakPolarHBondContact O-CG 3.48Å; E577-L581 PolarHBondContact O-N 3.38Å; L581-H584 PolarHBondContact O-N 3.26Å; L581-Q585 VanDerWaalsContact O-CG 3.32Å; L581-Q585 WeakPolarHBondContact O-CG 3.25Å; L581-Q585 PolarHBondContact O-N 3.34Å |
| 582 | R | 81.1 | Confident | 79 | Confident | 117 Ų | 117 | 80.9 Ų | 80.9 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.9 | -36.9 | -179.4 | -171.1 | 57.5 | 179.5 | 156 | 5.8 | 112.3 | Q578 L579 E580 L586 | Q578-R582 VanDerWaalsContact O-CB 3.29Å; Q578-R582 WeakPolarHBondContact O-CB 3.45Å; Q578-R582 PolarHBondContact O-N 2.96Å; L579-R582 PolarHBondContact O-N 3.1Å; L579-R582 VanDerWaalsContact O-N 3.16Å; E580-R582 VanDerWaalsContact C-N 3.32Å; E580-R582 PolarHBondContact O-N 3.13Å; R582-L586 HydrophobicContact CG-CD1 4.2Å; R582-L586 WeakPolarHBondContact O-CB 3.39Å; R582-L586 VanDerWaalsContact O-CG 3.25Å; R582-L586 WeakPolarHBondContact O-CG 3.38Å; R582-L586 PolarHBondContact O-N 3.26Å |
| 583 | I | 76.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 84.8 Ų | 84.8 | 23% | 0.226 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.3 | -55.4 | 168.6 | -70.1 | 162.3 | 0 | 0 | 0 | 108.9 | L579 E580 Q585 L586 E587 L666 V670 | L579-I583 VanDerWaalsContact O-CG1 3.28Å; L579-I583 WeakPolarHBondContact O-CG1 2.78Å; L579-I583 PolarHBondContact O-N 3.28Å; E580-I583 PolarHBondContact O-N 3.35Å; I583-Q585 VanDerWaalsContact C-N 3.3Å; I583-Q585 PolarHBondContact O-N 3.33Å; I583-L586 PolarHBondContact O-N 3.18Å; I583-L586 VanDerWaalsContact O-N 3.08Å; I583-E587 HydrophobicContact CG2-CG 4.25Å; I583-E587 WeakPolarHBondContact O-CG 3.26Å; I583-E587 PolarHBondContact O-N 2.91Å; I583-L666 HydrophobicContact CD1-CD2 4.37Å; I583-L666 HydrophobicContact CD1-CG 4.07Å; I583-L666 HydrophobicContact CG1-CD1 4.44Å; I583-L666 HydrophobicContact CG1-CD2 3.49Å; I583-L666 VanDerWaalsContact CG1-CD2 3.49Å; I583-L666 HydrophobicContact CG1-CG 3.73Å; I583-V670 HydrophobicContact CD1-CG2 3.89Å |
| 584 | H | 77.8 | Confident | 78.3 | Confident | 129 Ų | 129 | 82.8 Ų | 82.8 | 60% | 0.597 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.7 | -34.8 | -177 | -168.4 | -59 | 0 | 0 | 0 | 113.1 | E580 L581 H588 | E580-H584 PolarHBondContact O-N 3.1Å; L581-H584 PolarHBondContact O-N 3.26Å; H584-H588 VanDerWaalsContact O-CB 3.32Å; H584-H588 WeakPolarHBondContact O-CB 3.33Å; H584-H588 PolarHBondContact O-N 2.95Å |
| 585 | Q | 80 | Confident | 77.8 | Confident | 91 Ų | 91 | 83.7 Ų | 83.7 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -52.4 | 170.8 | -75.5 | 171.8 | 7.2 | 0 | 0 | 111.6 | L581 I583 E587 H588 D589 | L581-Q585 VanDerWaalsContact O-CG 3.32Å; L581-Q585 WeakPolarHBondContact O-CG 3.25Å; L581-Q585 PolarHBondContact O-N 3.34Å; I583-Q585 VanDerWaalsContact C-N 3.3Å; I583-Q585 PolarHBondContact O-N 3.33Å; Q585-E587 VanDerWaalsContact C-N 3.27Å; Q585-E587 PolarHBondContact O-N 2.88Å; Q585-H588 PolarHBondContact O-N 2.78Å; Q585-D589 WeakPolarHBondContact O-CB 3.37Å; Q585-D589 PolarHBondContact O-N 2.88Å |
| 586 | L | 76.9 | Confident | 77.3 | Confident | 74 Ų | 74 | 83.8 Ų | 83.8 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | -179.1 | -71.1 | 169.6 | 0 | 0 | 0 | 111.8 | R582 I583 L590 L666 | R582-L586 HydrophobicContact CG-CD1 4.2Å; R582-L586 WeakPolarHBondContact O-CB 3.39Å; R582-L586 VanDerWaalsContact O-CG 3.25Å; R582-L586 WeakPolarHBondContact O-CG 3.38Å; R582-L586 PolarHBondContact O-N 3.26Å; I583-L586 PolarHBondContact O-N 3.18Å; I583-L586 VanDerWaalsContact O-N 3.08Å; L586-L590 WeakPolarHBondContact O-CB 3.36Å; L586-L590 PolarHBondContact O-N 2.82Å; L586-L666 HydrophobicContact CD1-CD2 4.31Å |
| 587 | E | 74.5 | Confident | 76.7 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.4 | -41.3 | 174.5 | -68 | -165 | 130.7 | 0 | 0 | 112.5 | I583 Q585 L590 I591 R663 | I583-E587 HydrophobicContact CG2-CG 4.25Å; I583-E587 WeakPolarHBondContact O-CG 3.26Å; I583-E587 PolarHBondContact O-N 2.91Å; Q585-E587 VanDerWaalsContact C-N 3.27Å; Q585-E587 PolarHBondContact O-N 2.88Å; E587-L590 PolarHBondContact O-N 2.82Å; E587-I591 WeakPolarHBondContact O-CB 3.35Å; E587-I591 WeakPolarHBondContact O-CD1 3.31Å; E587-I591 VanDerWaalsContact O-CG1 3.23Å; E587-I591 WeakPolarHBondContact O-CG1 3.45Å; E587-I591 PolarHBondContact O-N 2.84Å; E587-R663 IonicContact OE1-CZ 3.62Å; E587-R663 IonicContact OE1-NE 3.77Å; E587-R663 IonicContact OE1-NH2 2.72Å; E587-R663 PolarHBondContact OE1-NH2 3.29Å |
| 588 | H | 78.1 | Confident | 76.2 | Confident | 103 Ų | 103 | 85.6 Ų | 85.6 | 48% | 0.477 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 174.8 | 179 | -83.6 | 0 | 0 | 0 | 111.9 | H584 Q585 L590 I591 Q592 | H584-H588 VanDerWaalsContact O-CB 3.32Å; H584-H588 WeakPolarHBondContact O-CB 3.33Å; H584-H588 PolarHBondContact O-N 2.95Å; Q585-H588 PolarHBondContact O-N 2.78Å; H588-L590 VanDerWaalsContact C-N 3.26Å; H588-L590 PolarHBondContact O-N 2.82Å; H588-I591 PolarHBondContact O-N 2.85Å; H588-Q592 PolarHBondContact O-N 2.71Å |
| 589 | D | 77.9 | Confident | 75.5 | Confident | 80 Ų | 80 | 86 Ų | 86 | 43% | 0.428 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 177.5 | -70.6 | -11.9 | 0 | 0 | 0 | 111.4 | Q585 Q592 K593 | Q585-D589 WeakPolarHBondContact O-CB 3.37Å; Q585-D589 PolarHBondContact O-N 2.88Å; D589-Q592 PolarHBondContact O-N 3.45Å; D589-K593 WeakPolarHBondContact O-CB 3.37Å; D589-K593 VanDerWaalsContact O-CG 3.25Å; D589-K593 WeakPolarHBondContact O-CG 3.49Å; D589-K593 PolarHBondContact O-N 2.96Å |
| 590 | L | 70.2 | Confident | 74.7 | Confident | 49 Ų | 49 | 89.6 Ų | 89.6 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | 177.6 | -174.7 | 149.5 | 0 | 0 | 0 | 112.5 | L586 E587 H588 T594 I659 | L586-L590 WeakPolarHBondContact O-CB 3.36Å; L586-L590 PolarHBondContact O-N 2.82Å; E587-L590 PolarHBondContact O-N 2.82Å; H588-L590 VanDerWaalsContact C-N 3.26Å; H588-L590 PolarHBondContact O-N 2.82Å; L590-T594 VanDerWaalsContact O-CB 3.24Å; L590-T594 WeakPolarHBondContact O-CB 3.48Å; L590-T594 PolarHBondContact O-N 3.05Å; L590-T594 PolarHBondContact O-OG1 2.95Å; L590-I659 HydrophobicContact CD1-CB 4.4Å; L590-I659 HydrophobicContact CD1-CD1 3.71Å; L590-I659 HydrophobicContact CD1-CG1 3.91Å; L590-I659 HydrophobicContact CD1-CG2 3.59Å |
| 591 | I | 77.3 | Confident | 73.9 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 170.8 | -72.4 | 163.5 | 0 | 0 | 0 | 109.9 | E587 H588 T594 N595 | E587-I591 WeakPolarHBondContact O-CB 3.35Å; E587-I591 WeakPolarHBondContact O-CD1 3.31Å; E587-I591 VanDerWaalsContact O-CG1 3.23Å; E587-I591 WeakPolarHBondContact O-CG1 3.45Å; E587-I591 PolarHBondContact O-N 2.84Å; H588-I591 PolarHBondContact O-N 2.85Å; I591-T594 PolarHBondContact O-N 3.32Å; I591-N595 WeakPolarHBondContact O-CB 3.17Å; I591-N595 VanDerWaalsContact O-CG 3.28Å; I591-N595 PolarHBondContact O-N 2.9Å; I591-N595 PolarHBondContact O-ND2 3.4Å |
| 592 | Q | 76 | Confident | 73 | Confident | 91 Ų | 91 | 89.8 Ų | 89.8 | 43% | 0.425 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 177 | -169.6 | -170.6 | -50.4 | 0 | 0 | 111.4 | H588 D589 T594 N595 E596 | H588-Q592 PolarHBondContact O-N 2.71Å; D589-Q592 PolarHBondContact O-N 3.45Å; Q592-T594 VanDerWaalsContact C-N 3.3Å; Q592-T594 PolarHBondContact O-N 3.23Å; Q592-N595 WeakPolarHBondContact O-CB 3.38Å; Q592-N595 PolarHBondContact O-N 3.22Å; Q592-N595 VanDerWaalsContact O-N 3.14Å; Q592-E596 PolarHBondContact NE2-OE1 2.93Å; Q592-E596 WeakPolarHBondContact O-CG 3.41Å; Q592-E596 PolarHBondContact O-N 2.63Å |
| 593 | K | 74.3 | Confident | 72 | Confident | 107 Ų | 107 | 89.3 Ų | 89.3 | 47% | 0.465 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.7 | -33.1 | 178.6 | -71 | -80.3 | 165.5 | -99.1 | 0 | 112.6 | D589 E596 I597 | D589-K593 WeakPolarHBondContact O-CB 3.37Å; D589-K593 VanDerWaalsContact O-CG 3.25Å; D589-K593 WeakPolarHBondContact O-CG 3.49Å; D589-K593 PolarHBondContact O-N 2.96Å; K593-E596 IonicContact NZ-OE1 2.71Å; K593-E596 PolarHBondContact NZ-OE1 3.24Å; K593-E596 IonicContact NZ-OE2 2.67Å; K593-E596 PolarHBondContact NZ-OE2 3.07Å; K593-I597 WeakPolarHBondContact O-CD1 3.5Å; K593-I597 VanDerWaalsContact O-CG1 3.28Å; K593-I597 WeakPolarHBondContact O-CG1 3.36Å; K593-I597 PolarHBondContact O-N 2.95Å |
| 594 | T | 73.7 | Confident | 71 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 172.1 | -60.1 | 0 | 0 | 0 | 0 | 111 | L590 I591 Q592 I597 I598 | L590-T594 VanDerWaalsContact O-CB 3.24Å; L590-T594 WeakPolarHBondContact O-CB 3.48Å; L590-T594 PolarHBondContact O-N 3.05Å; L590-T594 PolarHBondContact O-OG1 2.95Å; I591-T594 PolarHBondContact O-N 3.32Å; Q592-T594 VanDerWaalsContact C-N 3.3Å; Q592-T594 PolarHBondContact O-N 3.23Å; T594-I597 PolarHBondContact O-N 3.16Å; T594-I598 HydrophobicContact CG2-CD1 3.95Å; T594-I598 VanDerWaalsContact O-CG1 3.31Å; T594-I598 WeakPolarHBondContact O-CG1 3.41Å; T594-I598 PolarHBondContact O-N 3.07Å |
| 595 | N | 73.2 | Confident | 69.8 | Low | 80 Ų | 80 | 89.7 Ų | 89.7 | 43% | 0.428 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 176.4 | -71 | -27.4 | 0 | 0 | 0 | 112.3 | I591 Q592 I597 I598 Q599 | I591-N595 WeakPolarHBondContact O-CB 3.17Å; I591-N595 VanDerWaalsContact O-CG 3.28Å; I591-N595 PolarHBondContact O-N 2.9Å; I591-N595 PolarHBondContact O-ND2 3.4Å; Q592-N595 WeakPolarHBondContact O-CB 3.38Å; Q592-N595 PolarHBondContact O-N 3.22Å; Q592-N595 VanDerWaalsContact O-N 3.14Å; N595-I597 PolarHBondContact O-N 3.27Å; N595-I598 PolarHBondContact O-N 2.92Å; N595-Q599 WeakPolarHBondContact O-CG 3.26Å; N595-Q599 PolarHBondContact O-N 3.23Å |
| 596 | E | 73.1 | Confident | 68.5 | Low | 66 Ų | 66 | 91 Ų | 91 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 171.8 | -71.7 | 169.9 | -148.4 | 0 | 0 | 111.5 | Q592 K593 I598 Q599 L600 | Q592-E596 PolarHBondContact NE2-OE1 2.93Å; Q592-E596 WeakPolarHBondContact O-CG 3.41Å; Q592-E596 PolarHBondContact O-N 2.63Å; K593-E596 IonicContact NZ-OE1 2.71Å; K593-E596 PolarHBondContact NZ-OE1 3.24Å; K593-E596 IonicContact NZ-OE2 2.67Å; K593-E596 PolarHBondContact NZ-OE2 3.07Å; E596-I598 PolarHBondContact O-N 3.26Å; E596-Q599 PolarHBondContact O-N 2.78Å; E596-L600 WeakPolarHBondContact O-CG 3.45Å; E596-L600 PolarHBondContact O-N 3.48Å |
| 597 | I | 67.2 | Low | 67.2 | Low | 81 Ų | 81 | 92.3 Ų | 92.3 | 42% | 0.415 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 176.8 | -69.7 | 165.2 | 0 | 0 | 0 | 111.9 | K593 T594 N595 K601 | K593-I597 WeakPolarHBondContact O-CD1 3.5Å; K593-I597 VanDerWaalsContact O-CG1 3.28Å; K593-I597 WeakPolarHBondContact O-CG1 3.36Å; K593-I597 PolarHBondContact O-N 2.95Å; T594-I597 PolarHBondContact O-N 3.16Å; N595-I597 PolarHBondContact O-N 3.27Å; I597-K601 WeakPolarHBondContact O-CG 3.5Å; I597-K601 PolarHBondContact O-N 2.87Å |
| 598 | I | 70.7 | Confident | 66 | Low | 98 Ų | 98 | 93 Ų | 93 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 175.9 | -70.4 | 165.8 | 0 | 0 | 0 | 110.8 | T594 N595 E596 K601 A602 | T594-I598 HydrophobicContact CG2-CD1 3.95Å; T594-I598 VanDerWaalsContact O-CG1 3.31Å; T594-I598 WeakPolarHBondContact O-CG1 3.41Å; T594-I598 PolarHBondContact O-N 3.07Å; N595-I598 PolarHBondContact O-N 2.92Å; E596-I598 PolarHBondContact O-N 3.26Å; I598-K601 PolarHBondContact O-N 3.39Å; I598-A602 PolarHBondContact O-N 3.29Å |
| 599 | Q | 67.9 | Low | 64.5 | Low | 127 Ų | 127 | 95.2 Ų | 95.2 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 175.9 | -72.3 | 176.5 | 6.9 | 0 | 0 | 112 | N595 E596 K601 A602 I603 | N595-Q599 WeakPolarHBondContact O-CG 3.26Å; N595-Q599 PolarHBondContact O-N 3.23Å; E596-Q599 PolarHBondContact O-N 2.78Å; Q599-K601 VanDerWaalsContact C-N 3.32Å; Q599-K601 PolarHBondContact O-N 2.97Å; Q599-A602 PolarHBondContact O-N 3.07Å; Q599-I603 WeakPolarHBondContact O-CG1 3.46Å; Q599-I603 PolarHBondContact O-N 3.45Å |
| 600 | L | 62.5 | Low | 63 | Low | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -39.6 | 174.9 | -72.4 | 167.5 | 0 | 0 | 0 | 112.2 | E596 S604 | E596-L600 WeakPolarHBondContact O-CG 3.45Å; E596-L600 PolarHBondContact O-N 3.48Å; L600-S604 PolarHBondContact O-N 3.38Å; L600-S604 VanDerWaalsContact O-N 3.09Å |
| 601 | K | 62.6 | Low | 61.7 | Low | 139 Ų | 139 | 104 Ų | 104 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 173.8 | -75.6 | -179.6 | 177 | -175.8 | 0 | 113 | I597 I598 Q599 S604 N605 | I597-K601 WeakPolarHBondContact O-CG 3.5Å; I597-K601 PolarHBondContact O-N 2.87Å; I598-K601 PolarHBondContact O-N 3.39Å; Q599-K601 VanDerWaalsContact C-N 3.32Å; Q599-K601 PolarHBondContact O-N 2.97Å; K601-S604 PolarHBondContact O-N 3.49Å; K601-N605 PolarHBondContact O-N 2.63Å |
| 602 | A | 61.7 | Low | 60.1 | Low | 51 Ų | 51 | 105.1 Ų | 105.1 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -49.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I598 Q599 S604 N605 D606 | I598-A602 PolarHBondContact O-N 3.29Å; Q599-A602 PolarHBondContact O-N 3.07Å; A602-S604 VanDerWaalsContact C-N 3.27Å; A602-S604 PolarHBondContact O-N 2.9Å; A602-N605 PolarHBondContact O-N 3.04Å; A602-D606 PolarHBondContact O-N 3.3Å; A602-D606 VanDerWaalsContact O-N 3.07Å |
| 603 | I | 60.1 | Low | 58.4 | Low | 108 Ų | 108 | 108.2 Ų | 108.2 | 55% | 0.554 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.5 | -36.8 | 178.4 | -64.8 | 164 | 0 | 0 | 0 | 111.5 | Q599 N605 T607 | Q599-I603 WeakPolarHBondContact O-CG1 3.46Å; Q599-I603 PolarHBondContact O-N 3.45Å; I603-N605 VanDerWaalsContact C-N 3.32Å; I603-N605 PolarHBondContact O-N 3.41Å; I603-T607 PolarHBondContact O-N 3.36Å; I603-T607 PolarHBondContact O-OG1 2.87Å |
| 604 | S | 55 | Low | 56.5 | Low | 77 Ų | 77 | 111.1 Ų | 111.1 | 54% | 0.538 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.9 | -32.9 | 175.3 | -166.6 | 0 | 0 | 0 | 0 | 113.1 | L600 K601 A602 | L600-S604 PolarHBondContact O-N 3.38Å; L600-S604 VanDerWaalsContact O-N 3.09Å; K601-S604 PolarHBondContact O-N 3.49Å; A602-S604 VanDerWaalsContact C-N 3.27Å; A602-S604 PolarHBondContact O-N 2.9Å |
| 605 | N | 53.6 | Low | 54.9 | Low | 103 Ų | 103 | 112.9 Ų | 112.9 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -81.8 | -34.4 | -179.8 | -73.2 | -7.5 | 0 | 0 | 0 | 113 | K601 A602 I603 T607 T608 | K601-N605 PolarHBondContact O-N 2.63Å; A602-N605 PolarHBondContact O-N 3.04Å; I603-N605 VanDerWaalsContact C-N 3.32Å; I603-N605 PolarHBondContact O-N 3.41Å; N605-T607 PolarHBondContact O-N 3.3Å; N605-T608 PolarHBondContact O-N 3.16Å; N605-T608 PolarHBondContact O-OG1 2.89Å |
| 606 | D | 51.8 | Low | 53.2 | Low | 119 Ų | 119 | 115.1 Ų | 115.1 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.5 | -29.1 | 174 | -85.4 | -25.7 | 0 | 0 | 0 | 112.2 | A602 T608 H609 | A602-D606 PolarHBondContact O-N 3.3Å; A602-D606 VanDerWaalsContact O-N 3.07Å; D606-T608 VanDerWaalsContact C-N 3.3Å; D606-T608 PolarHBondContact O-N 3.27Å; D606-H609 PolarHBondContact O-N 3.49Å |
| 607 | T | 50.1 | Low | 51.4 | Low | 102 Ų | 102 | 118 Ų | 118 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.1 | -29 | 178 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | I603 N605 H609 | I603-T607 PolarHBondContact O-N 3.36Å; I603-T607 PolarHBondContact O-OG1 2.87Å; N605-T607 PolarHBondContact O-N 3.3Å; T607-H609 VanDerWaalsContact C-N 3.34Å; T607-H609 PolarHBondContact O-N 2.86Å |
| 608 | T | 48.4 | Very low | 49.9 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 56% | 0.558 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -5.7 | 176.6 | 35.6 | 0 | 0 | 0 | 0 | 115.3 | N605 D606 | N605-T608 PolarHBondContact O-N 3.16Å; N605-T608 PolarHBondContact O-OG1 2.89Å; D606-T608 VanDerWaalsContact C-N 3.3Å; D606-T608 PolarHBondContact O-N 3.27Å |
| 609 | H | 46.3 | Very low | 48.2 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 69% | 0.69 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 10.8 | -179.9 | -87.7 | -66.2 | 0 | 0 | 0 | 115.2 | D606 T607 | D606-H609 PolarHBondContact O-N 3.49Å; T607-H609 VanDerWaalsContact C-N 3.34Å; T607-H609 PolarHBondContact O-N 2.86Å |
| 610 | K | 46.2 | Very low | 46.9 | Very low | 191 Ų | 191 | 123.5 Ų | 123.5 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -100.7 | 14.1 | 173.7 | -75.9 | -177.4 | 176.7 | 172.7 | 0 | 114.9 | ||
| 611 | T | 43.9 | Very low | 45.6 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -128.7 | 34.1 | -178.7 | 34.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 612 | T | 43.3 | Very low | 44.3 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -144.2 | 36.4 | 167 | 0.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 613 | D | 39.9 | Very low | 43.3 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | trans | -146.5 | 88.2 | 169.4 | -132.5 | -15.6 | 0 | 0 | 0 | 112.4 | ||||
| 614 | I | 35.8 | Very low | 42.3 | Very low | 167 Ų | 167 | 127 Ų | 127 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | -165.9 | 122.9 | 144 | -101 | 157.6 | 0 | 0 | 0 | 107.6 | ||||
| 615 | S | 40.4 | Very low | 42.1 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -100 | 151.5 | 164.1 | -71 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 616 | T | 37 | Very low | 42 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | 59 | 91.2 | 154.7 | 50.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 617 | T | 34.3 | Very low | 41.9 | Very low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | -165.2 | 122.1 | 113.4 | 22.2 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 618 | H | 36.2 | Very low | 42.2 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | 55.9 | 127.6 | 84.6 | -73.4 | -28.8 | 0 | 0 | 0 | 113.3 | |||||
| 619 | I | 36.1 | Very low | 42.6 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 67% | 0.672 | 75% | 0.746 | S | S | * | * | cis | -165.3 | 159.4 | 6.1 | -138.2 | 163.1 | 0 | 0 | 0 | 112.9 | ||||
| 620 | N | 39 | Very low | 43.4 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | trans | 69.4 | 122 | 157.9 | -70.4 | -0.6 | 0 | 0 | 0 | 124.6 | ||||
| 621 | N | 36.2 | Very low | 44.2 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | 89 | 118.9 | 126.9 | -65.3 | -2 | 0 | 0 | 0 | 124.1 | |||||
| 622 | S | 34.7 | Very low | 45.4 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | 79.8 | 91.4 | 135.6 | -58.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 623 | S | 40.4 | Very low | 46.8 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | -179.2 | 107.3 | 123.7 | 35.5 | 0 | 0 | 0 | 0 | 112.7 | I625 | S623-I625 PolarHBondContact O-N 3.48Å; S623-I625 VanDerWaalsContact O-N 3.08Å | |||
| 624 | T | 39.7 | Very low | 48.2 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 89% | 0.89 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 43.2 | -161.9 | -30.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 625 | I | 51.5 | Low | 50 | Low | 158 Ų | 158 | 122.2 Ų | 122.2 | 81% | 0.81 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | -21.1 | -176 | -61.7 | -176.8 | 0 | 0 | 0 | 114.6 | S623 | S623-I625 PolarHBondContact O-N 3.48Å; S623-I625 VanDerWaalsContact O-N 3.08Å |
| 626 | Q | 50.5 | Low | 51.6 | Low | 139 Ų | 139 | 122.2 Ų | 122.2 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -100.7 | -6 | -170.6 | -74.5 | -174.9 | -44.2 | 0 | 0 | 117 | ||
| 627 | Q | 50.4 | Low | 53.3 | Low | 149 Ų | 149 | 121.7 Ų | 121.7 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.9 | -34.6 | -172.2 | -72.2 | -173.1 | -55.7 | 0 | 0 | 114.6 | E629 I630 I631 | Q627-E629 VanDerWaalsContact C-N 3.32Å; Q627-E629 PolarHBondContact O-N 3.15Å; Q627-I630 PolarHBondContact O-N 2.9Å; Q627-I631 WeakPolarHBondContact O-CG1 3.46Å; Q627-I631 PolarHBondContact O-N 3.22Å |
| 628 | D | 54.9 | Low | 55.2 | Low | 132 Ų | 132 | 120.8 Ų | 120.8 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.9 | -32 | -176.2 | -69.8 | -48.8 | 0 | 0 | 0 | 113.1 | I631 S632 | D628-I631 PolarHBondContact O-N 3.1Å; D628-S632 WeakPolarHBondContact O-CB 3.36Å; D628-S632 PolarHBondContact O-N 3.22Å |
| 629 | E | 58 | Low | 57 | Low | 140 Ų | 140 | 117.7 Ų | 117.7 | 65% | 0.654 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.7 | -39.7 | 179.8 | -158.4 | 168.4 | -138 | 0 | 0 | 111.5 | Q627 S632 N633 | Q627-E629 VanDerWaalsContact C-N 3.32Å; Q627-E629 PolarHBondContact O-N 3.15Å; E629-S632 WeakPolarHBondContact O-CB 3.45Å; E629-S632 PolarHBondContact O-N 3.28Å; E629-N633 PolarHBondContact O-N 3.48Å; E629-N633 VanDerWaalsContact O-N 3.09Å; E629-N633 PolarHBondContact O-ND2 3.43Å |
| 630 | I | 62.6 | Low | 59 | Low | 102 Ų | 102 | 116.4 Ų | 116.4 | 52% | 0.523 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.4 | -42.2 | 174.8 | -60.2 | 174.4 | 0 | 0 | 0 | 110.8 | Q627 S632 N633 L634 | Q627-I630 PolarHBondContact O-N 2.9Å; I630-S632 VanDerWaalsContact C-N 3.31Å; I630-S632 PolarHBondContact O-N 2.87Å; I630-N633 PolarHBondContact O-N 2.85Å; I630-L634 HydrophobicContact CG2-CD1 3.99Å; I630-L634 WeakPolarHBondContact O-CG 3.42Å; I630-L634 PolarHBondContact O-N 2.94Å |
| 631 | I | 64.3 | Low | 60.8 | Low | 83 Ų | 83 | 114.6 Ų | 114.6 | 43% | 0.426 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.5 | -35.4 | 177.6 | -66.9 | 168.3 | 0 | 0 | 0 | 111.2 | Q627 D628 K635 | Q627-I631 WeakPolarHBondContact O-CG1 3.46Å; Q627-I631 PolarHBondContact O-N 3.22Å; D628-I631 PolarHBondContact O-N 3.1Å; I631-K635 HydrophobicContact CG2-CD 4.38Å; I631-K635 WeakPolarHBondContact O-CG 3.1Å; I631-K635 PolarHBondContact O-N 3.37Å |
| 632 | S | 68.2 | Low | 62.6 | Low | 65 Ų | 65 | 112.3 Ų | 112.3 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.8 | -47.7 | 173.8 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | D628 E629 I630 K635 N636 | D628-S632 WeakPolarHBondContact O-CB 3.36Å; D628-S632 PolarHBondContact O-N 3.22Å; E629-S632 WeakPolarHBondContact O-CB 3.45Å; E629-S632 PolarHBondContact O-N 3.28Å; I630-S632 VanDerWaalsContact C-N 3.31Å; I630-S632 PolarHBondContact O-N 2.87Å; S632-K635 PolarHBondContact O-N 3.13Å; S632-N636 PolarHBondContact O-N 2.93Å; S632-N636 VanDerWaalsContact O-N 3.14Å |
| 633 | N | 72.8 | Confident | 64.7 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 54% | 0.54 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.6 | -45.9 | 179.8 | -69.8 | -25.8 | 0 | 0 | 0 | 112.3 | E629 I630 K635 N636 E637 | E629-N633 PolarHBondContact O-N 3.48Å; E629-N633 VanDerWaalsContact O-N 3.09Å; E629-N633 PolarHBondContact O-ND2 3.43Å; I630-N633 PolarHBondContact O-N 2.85Å; N633-K635 PolarHBondContact O-N 3.33Å; N633-N636 PolarHBondContact O-N 3.17Å; N633-N636 VanDerWaalsContact O-N 3.17Å; N633-E637 PolarHBondContact O-N 3.01Å |
| 634 | L | 68.9 | Low | 66.4 | Low | 89 Ų | 89 | 111.2 Ų | 111.2 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -26.9 | 177.2 | -73.5 | 170.5 | 0 | 0 | 0 | 113.5 | I630 N638 | I630-L634 HydrophobicContact CG2-CD1 3.99Å; I630-L634 WeakPolarHBondContact O-CG 3.42Å; I630-L634 PolarHBondContact O-N 2.94Å; L634-N638 WeakPolarHBondContact O-CB 3.41Å; L634-N638 PolarHBondContact O-N 2.91Å; L634-N638 VanDerWaalsContact O-N 3.11Å; L634-N638 PolarHBondContact O-ND2 3.26Å |
| 635 | K | 74 | Confident | 67.9 | Low | 144 Ų | 144 | 109.2 Ų | 109.2 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72 | -44.6 | 172.1 | -78.9 | 173.9 | 178.8 | 176.2 | 0 | 111.9 | I631 S632 N633 E637 N638 Q639 | I631-K635 HydrophobicContact CG2-CD 4.38Å; I631-K635 WeakPolarHBondContact O-CG 3.1Å; I631-K635 PolarHBondContact O-N 3.37Å; S632-K635 PolarHBondContact O-N 3.13Å; N633-K635 PolarHBondContact O-N 3.33Å; K635-E637 VanDerWaalsContact C-N 3.32Å; K635-E637 PolarHBondContact O-N 3.05Å; K635-N638 PolarHBondContact O-N 3.35Å; K635-Q639 WeakPolarHBondContact O-CB 3.37Å; K635-Q639 PolarHBondContact O-N 2.81Å |
| 636 | N | 74.5 | Confident | 69.1 | Low | 102 Ų | 102 | 107.2 Ų | 107.2 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 174.4 | -86.7 | -16.1 | 0 | 0 | 0 | 111.9 | S632 N633 Q639 N640 | S632-N636 PolarHBondContact O-N 2.93Å; S632-N636 VanDerWaalsContact O-N 3.14Å; N633-N636 PolarHBondContact O-N 3.17Å; N633-N636 VanDerWaalsContact O-N 3.17Å; N636-Q639 PolarHBondContact O-N 2.79Å; N636-N640 PolarHBondContact O-N 2.81Å |
| 637 | E | 72.6 | Confident | 70.4 | Confident | 115 Ų | 115 | 105.8 Ų | 105.8 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 178 | -169.2 | 168.1 | -151.9 | 0 | 0 | 112.1 | N633 K635 Q639 N640 L641 | N633-E637 PolarHBondContact O-N 3.01Å; K635-E637 VanDerWaalsContact C-N 3.32Å; K635-E637 PolarHBondContact O-N 3.05Å; E637-Q639 VanDerWaalsContact C-N 3.33Å; E637-Q639 PolarHBondContact O-N 2.78Å; E637-N640 PolarHBondContact O-N 2.78Å; E637-L641 HydrophobicContact CG-CD1 4.47Å; E637-L641 WeakPolarHBondContact O-CG 3.39Å; E637-L641 PolarHBondContact O-N 3.05Å |
| 638 | N | 72.8 | Confident | 71.4 | Confident | 109 Ų | 109 | 103.3 Ų | 103.3 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -40.2 | 171.6 | -89.9 | -86.8 | 0 | 0 | 0 | 112.6 | L634 K635 N640 L641 L642 | L634-N638 WeakPolarHBondContact O-CB 3.41Å; L634-N638 PolarHBondContact O-N 2.91Å; L634-N638 VanDerWaalsContact O-N 3.11Å; L634-N638 PolarHBondContact O-ND2 3.26Å; K635-N638 PolarHBondContact O-N 3.35Å; N638-N640 VanDerWaalsContact C-N 3.34Å; N638-N640 PolarHBondContact O-N 3.43Å; N638-L641 PolarHBondContact O-N 3.11Å; N638-L642 WeakPolarHBondContact O-CB 3.24Å; N638-L642 PolarHBondContact O-N 3.41Å |
| 639 | Q | 75.8 | Confident | 72.3 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 179.4 | -165.4 | 63.7 | 54.8 | 0 | 0 | 111.9 | K635 N636 E637 N643 | K635-Q639 WeakPolarHBondContact O-CB 3.37Å; K635-Q639 PolarHBondContact O-N 2.81Å; N636-Q639 PolarHBondContact O-N 2.79Å; E637-Q639 VanDerWaalsContact C-N 3.33Å; E637-Q639 PolarHBondContact O-N 2.78Å; Q639-N643 PolarHBondContact O-N 2.95Å; Q639-N643 VanDerWaalsContact O-N 3.1Å; Q639-N643 PolarHBondContact O-ND2 3.41Å; Q639-N643 PolarHBondContact O-OD1 3.41Å |
| 640 | N | 78 | Confident | 73.2 | Confident | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -47.5 | 172.8 | -73.8 | -19.5 | 0 | 0 | 0 | 111.8 | N636 E637 N638 L642 N643 E644 | N636-N640 PolarHBondContact O-N 2.81Å; E637-N640 PolarHBondContact O-N 2.78Å; N638-N640 VanDerWaalsContact C-N 3.34Å; N638-N640 PolarHBondContact O-N 3.43Å; N640-L642 VanDerWaalsContact C-N 3.27Å; N640-L642 PolarHBondContact O-N 3.22Å; N640-N643 WeakPolarHBondContact O-CB 3.36Å; N640-N643 PolarHBondContact O-N 3.4Å; N640-N643 VanDerWaalsContact O-N 3.11Å; N640-E644 PolarHBondContact O-N 3.12Å |
| 641 | L | 75.1 | Confident | 73.9 | Confident | 85 Ų | 85 | 104 Ų | 104 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -33.9 | 176.5 | -72.1 | 169.2 | 0 | 0 | 0 | 112.5 | E637 N638 N645 | E637-L641 HydrophobicContact CG-CD1 4.47Å; E637-L641 WeakPolarHBondContact O-CG 3.39Å; E637-L641 PolarHBondContact O-N 3.05Å; N638-L641 PolarHBondContact O-N 3.11Å; L641-N645 WeakPolarHBondContact O-CB 3.49Å; L641-N645 PolarHBondContact O-N 3.13Å; L641-N645 PolarHBondContact O-ND2 3.32Å |
| 642 | L | 75.8 | Confident | 74.2 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 173.6 | -168.7 | 70.6 | 0 | 0 | 0 | 111.4 | N638 N640 N645 Q646 | N638-L642 WeakPolarHBondContact O-CB 3.24Å; N638-L642 PolarHBondContact O-N 3.41Å; N640-L642 VanDerWaalsContact C-N 3.27Å; N640-L642 PolarHBondContact O-N 3.22Å; L642-N645 PolarHBondContact O-N 3.21Å; L642-Q646 WeakPolarHBondContact O-CG 3.42Å; L642-Q646 PolarHBondContact O-N 2.93Å |
| 643 | N | 78.1 | Confident | 74.7 | Confident | 67 Ų | 67 | 105.4 Ų | 105.4 | 36% | 0.358 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 176.7 | -66.3 | -16.9 | 0 | 0 | 0 | 111.9 | Q639 N640 Q646 Q647 | Q639-N643 PolarHBondContact O-N 2.95Å; Q639-N643 VanDerWaalsContact O-N 3.1Å; Q639-N643 PolarHBondContact O-ND2 3.41Å; Q639-N643 PolarHBondContact O-OD1 3.41Å; N640-N643 WeakPolarHBondContact O-CB 3.36Å; N640-N643 PolarHBondContact O-N 3.4Å; N640-N643 VanDerWaalsContact O-N 3.11Å; N643-Q646 PolarHBondContact O-N 2.73Å; N643-Q647 PolarHBondContact O-N 2.92Å |
| 644 | E | 75.1 | Confident | 75 | Confident | 116 Ų | 116 | 104.9 Ų | 104.9 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.1 | -73.2 | -163.8 | 126 | 0 | 0 | 112.1 | N640 Q646 Q647 I648 | N640-E644 PolarHBondContact O-N 3.12Å; E644-Q646 VanDerWaalsContact C-N 3.3Å; E644-Q646 PolarHBondContact O-N 3.43Å; E644-Q647 PolarHBondContact O-N 3.14Å; E644-I648 WeakPolarHBondContact O-CG1 3.38Å; E644-I648 PolarHBondContact O-N 2.82Å |
| 645 | N | 72.8 | Confident | 75.3 | Confident | 102 Ų | 102 | 105.3 Ų | 105.3 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 175.1 | -87.8 | -79.6 | 0 | 0 | 0 | 112.3 | L641 L642 I648 H649 | L641-N645 WeakPolarHBondContact O-CB 3.49Å; L641-N645 PolarHBondContact O-N 3.13Å; L641-N645 PolarHBondContact O-ND2 3.32Å; L642-N645 PolarHBondContact O-N 3.21Å; N645-I648 PolarHBondContact O-N 2.95Å; N645-H649 WeakPolarHBondContact O-CB 3.43Å; N645-H649 PolarHBondContact O-N 2.93Å |
| 646 | Q | 76.1 | Confident | 75.3 | Confident | 117 Ų | 117 | 104.7 Ų | 104.7 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 173 | -72.9 | 179.2 | 7.2 | 0 | 0 | 111.8 | L642 N643 E644 I648 H649 E650 | L642-Q646 WeakPolarHBondContact O-CG 3.42Å; L642-Q646 PolarHBondContact O-N 2.93Å; N643-Q646 PolarHBondContact O-N 2.73Å; E644-Q646 VanDerWaalsContact C-N 3.3Å; E644-Q646 PolarHBondContact O-N 3.43Å; Q646-I648 VanDerWaalsContact C-N 3.34Å; Q646-I648 PolarHBondContact O-N 3.15Å; Q646-H649 PolarHBondContact O-N 3.17Å; Q646-E650 PolarHBondContact O-N 2.79Å |
| 647 | Q | 77 | Confident | 75.5 | Confident | 109 Ų | 109 | 104.3 Ų | 104.3 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 176 | -70.3 | -173.1 | 24.4 | 0 | 0 | 113 | N643 E644 K651 | N643-Q647 PolarHBondContact O-N 2.92Å; E644-Q647 PolarHBondContact O-N 3.14Å; Q647-K651 WeakPolarHBondContact O-CB 3.48Å; Q647-K651 WeakPolarHBondContact O-CD 3.28Å; Q647-K651 VanDerWaalsContact O-CG 3.26Å; Q647-K651 WeakPolarHBondContact O-CG 3.41Å; Q647-K651 PolarHBondContact O-N 2.96Å |
| 648 | I | 72.7 | Confident | 75.8 | Confident | 97 Ų | 97 | 103.1 Ų | 103.1 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 175.2 | -68.9 | 167.3 | 0 | 0 | 0 | 109.9 | E644 N645 Q646 E650 K651 C652 | E644-I648 WeakPolarHBondContact O-CG1 3.38Å; E644-I648 PolarHBondContact O-N 2.82Å; N645-I648 PolarHBondContact O-N 2.95Å; Q646-I648 VanDerWaalsContact C-N 3.34Å; Q646-I648 PolarHBondContact O-N 3.15Å; I648-E650 VanDerWaalsContact C-N 3.34Å; I648-E650 PolarHBondContact O-N 3.01Å; I648-K651 PolarHBondContact O-N 2.7Å; I648-C652 PolarHBondContact O-N 2.84Å; I648-C652 PolarHBondContact O-SG 3.45Å; I648-C652 VanDerWaalsContact O-SG 3.35Å |
| 649 | H | 73 | Confident | 75.7 | Confident | 141 Ų | 141 | 100.3 Ų | 100.3 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 179.3 | -165.9 | -13 | 0 | 0 | 0 | 112.3 | N645 Q646 C652 K653 | N645-H649 WeakPolarHBondContact O-CB 3.43Å; N645-H649 PolarHBondContact O-N 2.93Å; Q646-H649 PolarHBondContact O-N 3.17Å; H649-C652 PolarHBondContact O-N 2.82Å; H649-K653 PolarHBondContact O-N 3.31Å |
| 650 | E | 77.4 | Confident | 75.9 | Confident | 123 Ų | 123 | 99.9 Ų | 99.9 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | 176.5 | -172.3 | 160.9 | -140 | 0 | 0 | 112.1 | Q646 I648 C652 K653 N654 | Q646-E650 PolarHBondContact O-N 2.79Å; I648-E650 VanDerWaalsContact C-N 3.34Å; I648-E650 PolarHBondContact O-N 3.01Å; E650-C652 PolarHBondContact O-N 3.07Å; E650-K653 PolarHBondContact O-N 2.82Å; E650-N654 PolarHBondContact O-N 3.14Å |
| 651 | K | 76.9 | Confident | 76.1 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 170.2 | -74.4 | 165.8 | -175.7 | 166.2 | 0 | 111.8 | Q647 I648 K653 N654 L655 | Q647-K651 WeakPolarHBondContact O-CB 3.48Å; Q647-K651 WeakPolarHBondContact O-CD 3.28Å; Q647-K651 VanDerWaalsContact O-CG 3.26Å; Q647-K651 WeakPolarHBondContact O-CG 3.41Å; Q647-K651 PolarHBondContact O-N 2.96Å; I648-K651 PolarHBondContact O-N 2.7Å; K651-K653 PolarHBondContact O-N 3Å; K651-N654 PolarHBondContact O-N 3.3Å; K651-L655 WeakPolarHBondContact O-CB 3.29Å; K651-L655 PolarHBondContact O-N 3.46Å |
| 652 | C | 71.4 | Confident | 76.3 | Confident | 50 Ų | 50 | 101.3 Ų | 101.3 | 34% | 0.338 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.6 | -69.9 | 0 | 0 | 0 | 0 | 113 | I648 H649 E650 M656 | I648-C652 PolarHBondContact O-N 2.84Å; I648-C652 PolarHBondContact O-SG 3.45Å; I648-C652 VanDerWaalsContact O-SG 3.35Å; H649-C652 PolarHBondContact O-N 2.82Å; E650-C652 PolarHBondContact O-N 3.07Å; C652-M656 WeakPolarHBondContact O-CG 3.37Å; C652-M656 PolarHBondContact O-N 3.31Å |
| 653 | K | 77.1 | Confident | 76.3 | Confident | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 176.4 | -175.7 | -175.6 | 176.5 | -171.4 | 0 | 111.3 | H649 E650 K651 L655 M656 N657 | H649-K653 PolarHBondContact O-N 3.31Å; E650-K653 PolarHBondContact O-N 2.82Å; K651-K653 PolarHBondContact O-N 3Å; K653-L655 VanDerWaalsContact C-N 3.33Å; K653-L655 PolarHBondContact O-N 3.4Å; K653-M656 PolarHBondContact O-N 2.82Å; K653-N657 PolarHBondContact O-N 3.34Å |
| 654 | N | 79 | Confident | 76.4 | Confident | 91 Ų | 91 | 107 Ų | 107 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 178.7 | -66.1 | -15.1 | 0 | 0 | 0 | 111.6 | E650 K651 N657 L658 | E650-N654 PolarHBondContact O-N 3.14Å; K651-N654 PolarHBondContact O-N 3.3Å; N654-N657 PolarHBondContact O-N 2.87Å; N654-L658 WeakPolarHBondContact O-CB 3.44Å; N654-L658 PolarHBondContact O-N 3.1Å; N654-L658 VanDerWaalsContact O-N 3.07Å |
| 655 | L | 75.3 | Confident | 76.7 | Confident | 98 Ų | 98 | 104.6 Ų | 104.6 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 170.5 | -92.1 | 155.7 | 0 | 0 | 0 | 112.6 | K651 K653 N657 L658 I659 | K651-L655 WeakPolarHBondContact O-CB 3.29Å; K651-L655 PolarHBondContact O-N 3.46Å; K653-L655 VanDerWaalsContact C-N 3.33Å; K653-L655 PolarHBondContact O-N 3.4Å; L655-N657 VanDerWaalsContact C-N 3.35Å; L655-N657 PolarHBondContact O-N 3.48Å; L655-L658 PolarHBondContact O-N 2.72Å; L655-I659 WeakPolarHBondContact O-CB 3.37Å; L655-I659 WeakPolarHBondContact O-CD1 3.3Å; L655-I659 VanDerWaalsContact O-CG1 3.24Å; L655-I659 WeakPolarHBondContact O-CG1 3.37Å; L655-I659 PolarHBondContact O-N 2.9Å |
| 656 | M | 73.9 | Confident | 77 | Confident | 131 Ų | 131 | 101.2 Ų | 101.2 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -36.7 | 177.9 | -74.2 | -133.8 | -64 | 0 | 0 | 113.3 | C652 K653 I659 T660 | C652-M656 WeakPolarHBondContact O-CG 3.37Å; C652-M656 PolarHBondContact O-N 3.31Å; K653-M656 PolarHBondContact O-N 2.82Å; M656-I659 PolarHBondContact O-N 2.87Å; M656-T660 PolarHBondContact O-N 2.98Å; M656-T660 PolarHBondContact O-OG1 2.88Å |
| 657 | N | 78.7 | Confident | 77.2 | Confident | 94 Ų | 94 | 100.1 Ų | 100.1 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -49.9 | 173.5 | -73.1 | 3.2 | 0 | 0 | 0 | 110.9 | K653 N654 L655 I659 T660 E661 | K653-N657 PolarHBondContact O-N 3.34Å; N654-N657 PolarHBondContact O-N 2.87Å; L655-N657 VanDerWaalsContact C-N 3.35Å; L655-N657 PolarHBondContact O-N 3.48Å; N657-I659 VanDerWaalsContact C-N 3.32Å; N657-I659 PolarHBondContact O-N 3.18Å; N657-T660 WeakPolarHBondContact O-CB 3.47Å; N657-T660 PolarHBondContact O-N 3.25Å; N657-E661 PolarHBondContact O-N 2.95Å |
| 658 | L | 79.4 | Confident | 77.6 | Confident | 90 Ų | 90 | 99.9 Ų | 99.9 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 177.9 | -178.8 | 63.3 | 0 | 0 | 0 | 112.4 | N654 L655 T660 E661 L662 | N654-L658 WeakPolarHBondContact O-CB 3.44Å; N654-L658 PolarHBondContact O-N 3.1Å; N654-L658 VanDerWaalsContact O-N 3.07Å; L655-L658 PolarHBondContact O-N 2.72Å; L658-T660 VanDerWaalsContact C-N 3.32Å; L658-T660 PolarHBondContact O-N 3.47Å; L658-E661 PolarHBondContact O-N 2.94Å; L658-L662 HydrophobicContact CD1-CD1 4.33Å; L658-L662 HydrophobicContact CD1-CG 4.35Å; L658-L662 HydrophobicContact CG-CD1 4.04Å; L658-L662 HydrophobicContact CG-CG 4.49Å; L658-L662 WeakPolarHBondContact O-CB 3.37Å; L658-L662 VanDerWaalsContact O-CG 3.23Å; L658-L662 WeakPolarHBondContact O-CG 3.24Å; L658-L662 PolarHBondContact O-N 3.02Å |
| 659 | I | 71.9 | Confident | 77.9 | Confident | 50 Ų | 50 | 99.7 Ų | 99.7 | 26% | 0.256 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 173.1 | -75.5 | 159.4 | 0 | 0 | 0 | 111.4 | L590 L655 M656 N657 R663 | L590-I659 HydrophobicContact CD1-CB 4.4Å; L590-I659 HydrophobicContact CD1-CD1 3.71Å; L590-I659 HydrophobicContact CD1-CG1 3.91Å; L590-I659 HydrophobicContact CD1-CG2 3.59Å; L655-I659 WeakPolarHBondContact O-CB 3.37Å; L655-I659 WeakPolarHBondContact O-CD1 3.3Å; L655-I659 VanDerWaalsContact O-CG1 3.24Å; L655-I659 WeakPolarHBondContact O-CG1 3.37Å; L655-I659 PolarHBondContact O-N 2.9Å; M656-I659 PolarHBondContact O-N 2.87Å; N657-I659 VanDerWaalsContact C-N 3.32Å; N657-I659 PolarHBondContact O-N 3.18Å; I659-R663 WeakPolarHBondContact O-CB 3.37Å; I659-R663 WeakPolarHBondContact O-CG 3.09Å; I659-R663 PolarHBondContact O-N 3.1Å |
| 660 | T | 78.8 | Confident | 78.3 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.2 | -41.4 | -179.8 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | M656 N657 L658 R663 Y664 | M656-T660 PolarHBondContact O-N 2.98Å; M656-T660 PolarHBondContact O-OG1 2.88Å; N657-T660 WeakPolarHBondContact O-CB 3.47Å; N657-T660 PolarHBondContact O-N 3.25Å; L658-T660 VanDerWaalsContact C-N 3.32Å; L658-T660 PolarHBondContact O-N 3.47Å; T660-R663 PolarHBondContact O-N 2.65Å; T660-Y664 PolarHBondContact O-N 2.93Å |
| 661 | E | 81.5 | Confident | 78.6 | Confident | 117 Ų | 117 | 90.5 Ų | 90.5 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 174.9 | -172.9 | 175.2 | -174.9 | 0 | 0 | 111.8 | N657 L658 R663 Y664 N665 | N657-E661 PolarHBondContact O-N 2.95Å; L658-E661 PolarHBondContact O-N 2.94Å; E661-R663 VanDerWaalsContact C-N 3.31Å; E661-R663 PolarHBondContact O-N 2.9Å; E661-Y664 PolarHBondContact O-N 3.22Å; E661-N665 VanDerWaalsContact O-CG 3.22Å; E661-N665 PolarHBondContact O-N 3.25Å; E661-N665 PolarHBondContact O-OD1 2.65Å |
| 662 | L | 79.2 | Confident | 78.9 | Confident | 101 Ų | 101 | 89.8 Ų | 89.8 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 174.2 | -73.5 | 169.7 | 0 | 0 | 0 | 112.2 | L658 L666 | L658-L662 HydrophobicContact CD1-CD1 4.33Å; L658-L662 HydrophobicContact CD1-CG 4.35Å; L658-L662 HydrophobicContact CG-CD1 4.04Å; L658-L662 HydrophobicContact CG-CG 4.49Å; L658-L662 WeakPolarHBondContact O-CB 3.37Å; L658-L662 VanDerWaalsContact O-CG 3.23Å; L658-L662 WeakPolarHBondContact O-CG 3.24Å; L658-L662 PolarHBondContact O-N 3.02Å; L662-L666 WeakPolarHBondContact O-CB 3.43Å; L662-L666 PolarHBondContact O-N 3.18Å |
| 663 | R | 75.9 | Confident | 79.4 | Confident | 124 Ų | 124 | 88.6 Ų | 88.6 | 47% | 0.468 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 175 | -84.9 | 176.5 | 152.6 | -179 | -8.6 | 112.8 | E587 I659 T660 E661 N667 | E587-R663 IonicContact OE1-CZ 3.62Å; E587-R663 IonicContact OE1-NE 3.77Å; E587-R663 IonicContact OE1-NH2 2.72Å; E587-R663 PolarHBondContact OE1-NH2 3.29Å; I659-R663 WeakPolarHBondContact O-CB 3.37Å; I659-R663 WeakPolarHBondContact O-CG 3.09Å; I659-R663 PolarHBondContact O-N 3.1Å; T660-R663 PolarHBondContact O-N 2.65Å; E661-R663 VanDerWaalsContact C-N 3.31Å; E661-R663 PolarHBondContact O-N 2.9Å; R663-N667 VanDerWaalsContact O-CB 3.27Å; R663-N667 WeakPolarHBondContact O-CB 3.39Å; R663-N667 PolarHBondContact O-N 3.14Å; R663-N667 VanDerWaalsContact O-N 3.11Å |
| 664 | Y | 81.5 | Confident | 79.7 | Confident | 153 Ų | 153 | 86.3 Ų | 86.3 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.6 | -56.7 | 175.6 | -176.7 | -90.1 | 0 | 0 | 0 | 110.7 | T660 E661 L666 N667 E668 | T660-Y664 PolarHBondContact O-N 2.93Å; E661-Y664 PolarHBondContact O-N 3.22Å; Y664-L666 VanDerWaalsContact C-N 3.26Å; Y664-L666 PolarHBondContact O-N 2.9Å; Y664-N667 PolarHBondContact O-N 2.84Å; Y664-N667 VanDerWaalsContact O-N 3.13Å; Y664-E668 PolarHBondContact O-N 3.46Å |
| 665 | N | 81.4 | Confident | 80 | Confident | 64 Ų | 64 | 88.5 Ų | 88.5 | 34% | 0.342 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.4 | -34.2 | -176.5 | -60.5 | -8 | 0 | 0 | 0 | 112.7 | E661 Q669 | E661-N665 VanDerWaalsContact O-CG 3.22Å; E661-N665 PolarHBondContact O-N 3.25Å; E661-N665 PolarHBondContact O-OD1 2.65Å; N665-Q669 WeakPolarHBondContact O-CG 3.5Å; N665-Q669 PolarHBondContact O-N 2.92Å; N665-Q669 PolarHBondContact O-NE2 3.36Å |
| 666 | L | 78.4 | Confident | 80.4 | Confident | 32 Ų | 32 | 87.5 Ų | 87.5 | 17% | 0.168 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -78.3 | -33.7 | 179.3 | -173.6 | 53.8 | 0 | 0 | 0 | 112.4 | L579 I583 L586 L662 Y664 V670 | L579-L666 HydrophobicContact CD2-CD1 3.85Å; I583-L666 HydrophobicContact CD1-CD2 4.37Å; I583-L666 HydrophobicContact CD1-CG 4.07Å; I583-L666 HydrophobicContact CG1-CD1 4.44Å; I583-L666 HydrophobicContact CG1-CD2 3.49Å; I583-L666 VanDerWaalsContact CG1-CD2 3.49Å; I583-L666 HydrophobicContact CG1-CG 3.73Å; L586-L666 HydrophobicContact CD1-CD2 4.31Å; L662-L666 WeakPolarHBondContact O-CB 3.43Å; L662-L666 PolarHBondContact O-N 3.18Å; Y664-L666 VanDerWaalsContact C-N 3.26Å; Y664-L666 PolarHBondContact O-N 2.9Å; L666-V670 WeakPolarHBondContact O-CB 3.29Å; L666-V670 WeakPolarHBondContact O-CG2 3.17Å; L666-V670 PolarHBondContact O-N 3.18Å; L666-V670 VanDerWaalsContact O-N 3.12Å |
| 667 | N | 79.9 | Confident | 80.8 | Confident | 93 Ų | 93 | 82.4 Ų | 82.4 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.5 | -30.9 | 172.2 | -176.3 | 66.8 | 0 | 0 | 0 | 112.2 | R663 Y664 N671 | R663-N667 VanDerWaalsContact O-CB 3.27Å; R663-N667 WeakPolarHBondContact O-CB 3.39Å; R663-N667 PolarHBondContact O-N 3.14Å; R663-N667 VanDerWaalsContact O-N 3.11Å; Y664-N667 PolarHBondContact O-N 2.84Å; Y664-N667 VanDerWaalsContact O-N 3.13Å; N667-N671 VanDerWaalsContact O-CG 3.23Å; N667-N671 PolarHBondContact O-N 3.03Å; N667-N671 VanDerWaalsContact O-N 3.09Å; N667-N671 PolarHBondContact O-ND2 2.99Å |
| 668 | E | 85.6 | Confident | 81.2 | Confident | 104 Ų | 104 | 82.1 Ų | 82.1 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -52.7 | 171.7 | -170.8 | 170.2 | -161 | 0 | 0 | 111.1 | Y664 V670 N671 E672 | Y664-E668 PolarHBondContact O-N 3.46Å; E668-V670 VanDerWaalsContact C-N 3.3Å; E668-V670 PolarHBondContact O-N 3.06Å; E668-N671 WeakPolarHBondContact O-CA 3.36Å; E668-N671 PolarHBondContact O-N 3.42Å; E668-E672 PolarHBondContact O-N 2.97Å |
| 669 | Q | 79.2 | Confident | 81.4 | Confident | 94 Ų | 94 | 82 Ų | 82 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.3 | -41.1 | 174.2 | -73.1 | 165.9 | 50.4 | 0 | 0 | 112.9 | N665 N671 E672 L673 | N665-Q669 WeakPolarHBondContact O-CG 3.5Å; N665-Q669 PolarHBondContact O-N 2.92Å; N665-Q669 PolarHBondContact O-NE2 3.36Å; Q669-N671 VanDerWaalsContact C-N 3.25Å; Q669-N671 PolarHBondContact O-N 2.77Å; Q669-E672 PolarHBondContact O-N 3.16Å; Q669-L673 WeakPolarHBondContact O-CB 3.46Å; Q669-L673 WeakPolarHBondContact O-CG 3.34Å; Q669-L673 PolarHBondContact O-N 3.4Å |
| 670 | V | 80.7 | Confident | 81.8 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.8 | -23.1 | 176.4 | 162.8 | 0 | 0 | 0 | 0 | 112.7 | L579 I583 L666 E668 K674 | L579-V670 HydrophobicContact CB-CG2 4.27Å; I583-V670 HydrophobicContact CD1-CG2 3.89Å; L666-V670 WeakPolarHBondContact O-CB 3.29Å; L666-V670 WeakPolarHBondContact O-CG2 3.17Å; L666-V670 PolarHBondContact O-N 3.18Å; L666-V670 VanDerWaalsContact O-N 3.12Å; E668-V670 VanDerWaalsContact C-N 3.3Å; E668-V670 PolarHBondContact O-N 3.06Å; V670-K674 WeakPolarHBondContact O-CD 3.15Å; V670-K674 VanDerWaalsContact O-CE 3.24Å; V670-K674 WeakPolarHBondContact O-CE 3.27Å; V670-K674 VanDerWaalsContact O-CG 3.25Å; V670-K674 WeakPolarHBondContact O-CG 3.41Å; V670-K674 PolarHBondContact O-N 2.97Å |
| 671 | N | 83.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 80.9 Ų | 80.9 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -84.6 | -40 | 173 | -66.8 | -31.2 | 0 | 0 | 0 | 111.9 | N667 E668 Q669 L673 K674 E675 | N667-N671 VanDerWaalsContact O-CG 3.23Å; N667-N671 PolarHBondContact O-N 3.03Å; N667-N671 VanDerWaalsContact O-N 3.09Å; N667-N671 PolarHBondContact O-ND2 2.99Å; E668-N671 WeakPolarHBondContact O-CA 3.36Å; E668-N671 PolarHBondContact O-N 3.42Å; Q669-N671 VanDerWaalsContact C-N 3.25Å; Q669-N671 PolarHBondContact O-N 2.77Å; N671-L673 VanDerWaalsContact C-N 3.3Å; N671-L673 PolarHBondContact O-N 3.21Å; N671-K674 WeakPolarHBondContact O-CB 3.3Å; N671-K674 PolarHBondContact O-N 3.15Å; N671-K674 PolarHBondContact OD1-NZ 3.32Å; N671-E675 PolarHBondContact O-N 3.38Å |
| 672 | E | 83.6 | Confident | 82.1 | Confident | 110 Ų | 110 | 81.7 Ų | 81.7 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56 | -46 | 172.3 | -166.1 | -172 | 166 | 0 | 0 | 111 | E668 Q669 K674 E675 Q676 | E668-E672 PolarHBondContact O-N 2.97Å; Q669-E672 PolarHBondContact O-N 3.16Å; E672-K674 VanDerWaalsContact C-N 3.28Å; E672-K674 PolarHBondContact O-N 3.39Å; E672-E675 PolarHBondContact O-N 2.99Å; E672-Q676 WeakPolarHBondContact O-CG 3.49Å; E672-Q676 PolarHBondContact O-N 3.34Å; E672-Q676 PolarHBondContact OE1-NE2 3.04Å; E672-Q676 VanDerWaalsContact OE1-NE2 3.12Å |
| 673 | L | 82.2 | Confident | 82.3 | Confident | 25 Ų | 25 | 80.3 Ų | 80.3 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -26.9 | 175.4 | -73.4 | 170.1 | 0 | 0 | 0 | 113.8 | L572 L579 Q669 N671 L677 | L572-L673 HydrophobicContact CD2-CD2 3.75Å; L579-L673 HydrophobicContact CD1-CD1 3.34Å; Q669-L673 WeakPolarHBondContact O-CB 3.46Å; Q669-L673 WeakPolarHBondContact O-CG 3.34Å; Q669-L673 PolarHBondContact O-N 3.4Å; N671-L673 VanDerWaalsContact C-N 3.3Å; N671-L673 PolarHBondContact O-N 3.21Å; L673-L677 WeakPolarHBondContact O-CB 3.4Å; L673-L677 PolarHBondContact O-N 3.31Å |
| 674 | K | 83.2 | Confident | 82.5 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 34% | 0.339 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.9 | -42.9 | 172.4 | -71.3 | 163.3 | -159.4 | 160.7 | 0 | 111.2 | V670 N671 E672 L677 I678 | V670-K674 WeakPolarHBondContact O-CD 3.15Å; V670-K674 VanDerWaalsContact O-CE 3.24Å; V670-K674 WeakPolarHBondContact O-CE 3.27Å; V670-K674 VanDerWaalsContact O-CG 3.25Å; V670-K674 WeakPolarHBondContact O-CG 3.41Å; V670-K674 PolarHBondContact O-N 2.97Å; N671-K674 WeakPolarHBondContact O-CB 3.3Å; N671-K674 PolarHBondContact O-N 3.15Å; N671-K674 PolarHBondContact OD1-NZ 3.32Å; E672-K674 VanDerWaalsContact C-N 3.28Å; E672-K674 PolarHBondContact O-N 3.39Å; K674-L677 PolarHBondContact O-N 3.13Å; K674-I678 VanDerWaalsContact O-CG1 3.28Å; K674-I678 WeakPolarHBondContact O-CG1 3.42Å; K674-I678 PolarHBondContact O-N 3.05Å |
| 675 | E | 85.5 | Confident | 82.7 | Confident | 138 Ų | 138 | 73.3 Ų | 73.3 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.3 | -41.8 | 178.2 | -67.9 | -175 | 177.6 | 0 | 0 | 111.3 | N671 E672 I678 T679 | N671-E675 PolarHBondContact O-N 3.38Å; E672-E675 PolarHBondContact O-N 2.99Å; E675-I678 PolarHBondContact O-N 3.09Å; E675-T679 WeakPolarHBondContact O-CB 3.43Å; E675-T679 PolarHBondContact O-N 2.73Å; E675-T679 PolarHBondContact O-OG1 3.45Å |
| 676 | Q | 83.2 | Confident | 82.9 | Confident | 76 Ų | 76 | 76.1 Ų | 76.1 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -47 | 171.2 | -67.9 | 178.2 | 16.5 | 0 | 0 | 111.4 | L572 E672 I678 T679 T680 | L572-Q676 HydrophobicContact CD1-CB 4.31Å; L572-Q676 HydrophobicContact CD2-CB 4.35Å; E672-Q676 WeakPolarHBondContact O-CG 3.49Å; E672-Q676 PolarHBondContact O-N 3.34Å; E672-Q676 PolarHBondContact OE1-NE2 3.04Å; E672-Q676 VanDerWaalsContact OE1-NE2 3.12Å; Q676-I678 PolarHBondContact O-N 3Å; Q676-T679 PolarHBondContact O-N 3.39Å; Q676-T680 PolarHBondContact O-N 3.01Å; Q676-T680 PolarHBondContact O-OG1 2.81Å |
| 677 | L | 83.3 | Confident | 83.2 | Confident | 25 Ų | 25 | 75.1 Ų | 75.1 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.7 | -178.1 | 64.6 | 0 | 0 | 0 | 112.9 | L572 L673 K674 Q681 | L572-L677 HydrophobicContact CB-CD1 4.47Å; L673-L677 WeakPolarHBondContact O-CB 3.4Å; L673-L677 PolarHBondContact O-N 3.31Å; K674-L677 PolarHBondContact O-N 3.13Å; L677-Q681 WeakPolarHBondContact O-CB 3.11Å; L677-Q681 VanDerWaalsContact O-CG 3.25Å; L677-Q681 WeakPolarHBondContact O-CG 3.4Å; L677-Q681 PolarHBondContact O-N 3.25Å |
| 678 | I | 86 | Confident | 83.5 | Confident | 88 Ų | 88 | 73.3 Ų | 73.3 | 45% | 0.451 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 174.4 | -70.1 | 163.8 | 0 | 0 | 0 | 110 | K674 E675 Q676 T680 Q681 E682 | K674-I678 VanDerWaalsContact O-CG1 3.28Å; K674-I678 WeakPolarHBondContact O-CG1 3.42Å; K674-I678 PolarHBondContact O-N 3.05Å; E675-I678 PolarHBondContact O-N 3.09Å; Q676-I678 PolarHBondContact O-N 3Å; I678-T680 VanDerWaalsContact C-N 3.34Å; I678-T680 PolarHBondContact O-N 2.65Å; I678-Q681 WeakPolarHBondContact O-CA 3.14Å; I678-Q681 WeakPolarHBondContact O-CB 3.2Å; I678-Q681 PolarHBondContact O-N 3.05Å; I678-E682 PolarHBondContact O-N 3.17Å |
| 679 | T | 83.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 53% | 0.534 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 179.1 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | E675 Q676 E682 L683 | E675-T679 WeakPolarHBondContact O-CB 3.43Å; E675-T679 PolarHBondContact O-N 2.73Å; E675-T679 PolarHBondContact O-OG1 3.45Å; Q676-T679 PolarHBondContact O-N 3.39Å; T679-E682 PolarHBondContact O-N 3.18Å; T679-L683 WeakPolarHBondContact O-CB 3.39Å; T679-L683 PolarHBondContact O-N 3.02Å |
| 680 | T | 81.5 | Confident | 84 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 10% | 0.104 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 174.1 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | N568 N569 Q676 I678 N684 | N568-T680 HydrophobicContact CB-CG2 4.41Å; N569-T680 HydrophobicContact CB-CG2 3.95Å; Q676-T680 PolarHBondContact O-N 3.01Å; Q676-T680 PolarHBondContact O-OG1 2.81Å; I678-T680 VanDerWaalsContact C-N 3.34Å; I678-T680 PolarHBondContact O-N 2.65Å; T680-N684 VanDerWaalsContact O-CB 3.24Å; T680-N684 WeakPolarHBondContact O-CB 3.44Å; T680-N684 PolarHBondContact O-N 2.94Å |
| 681 | Q | 80.6 | Confident | 84.4 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 175 | -76 | 172.7 | 5.7 | 0 | 0 | 112.2 | L677 I678 N684 H685 | L677-Q681 WeakPolarHBondContact O-CB 3.11Å; L677-Q681 VanDerWaalsContact O-CG 3.25Å; L677-Q681 WeakPolarHBondContact O-CG 3.4Å; L677-Q681 PolarHBondContact O-N 3.25Å; I678-Q681 WeakPolarHBondContact O-CA 3.14Å; I678-Q681 WeakPolarHBondContact O-CB 3.2Å; I678-Q681 PolarHBondContact O-N 3.05Å; Q681-N684 PolarHBondContact O-N 3.06Å; Q681-H685 PolarHBondContact O-N 3.06Å |
| 682 | E | 85.4 | Confident | 84.7 | Confident | 134 Ų | 134 | 75.3 Ų | 75.3 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.4 | -44.6 | 175.1 | -69 | -175.3 | 164.9 | 0 | 0 | 111.7 | I678 T679 N684 H685 F686 | I678-E682 PolarHBondContact O-N 3.17Å; T679-E682 PolarHBondContact O-N 3.18Å; E682-N684 PolarHBondContact O-N 3.47Å; E682-H685 PolarHBondContact O-N 3.06Å; E682-F686 PolarHBondContact O-N 3.22Å |
| 683 | L | 84 | Confident | 84.8 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 37% | 0.372 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 176.7 | -177.4 | 58.4 | 0 | 0 | 0 | 112.3 | E565 T679 F686 N687 | E565-L683 HydrophobicContact CG-CD2 4.22Å; E565-L683 HydrophobicContact CG-CG 4.34Å; E565-L683 WeakPolarHBondContact OE1-CD2 3.34Å; T679-L683 WeakPolarHBondContact O-CB 3.39Å; T679-L683 PolarHBondContact O-N 3.02Å; L683-F686 PolarHBondContact O-N 2.83Å; L683-N687 PolarHBondContact O-N 3.3Å; L683-N687 PolarHBondContact O-ND2 3.12Å |
| 684 | N | 81 | Confident | 85 | Confident | 16 Ų | 16 | 76 Ų | 76 | 9% | 0.086 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 173.1 | -169.3 | -3.1 | 0 | 0 | 0 | 110.8 | L562 Y566 T680 Q681 E682 F686 N687 I688 | L562-N684 VanDerWaalsContact CD1-OD1 3.32Å; L562-N684 WeakPolarHBondContact CD1-OD1 3.49Å; Y566-N684 VanDerWaalsContact CE1-ND2 3.28Å; Y566-N684 WeakPolarHBondContact CE1-ND2 3.35Å; T680-N684 VanDerWaalsContact O-CB 3.24Å; T680-N684 WeakPolarHBondContact O-CB 3.44Å; T680-N684 PolarHBondContact O-N 2.94Å; Q681-N684 PolarHBondContact O-N 3.06Å; E682-N684 PolarHBondContact O-N 3.47Å; N684-F686 VanDerWaalsContact C-N 3.32Å; N684-F686 PolarHBondContact O-N 2.91Å; N684-N687 PolarHBondContact O-N 3.47Å; N684-N687 VanDerWaalsContact O-N 3.1Å; N684-I688 WeakPolarHBondContact O-CG1 3.31Å; N684-I688 PolarHBondContact O-N 3.29Å |
| 685 | H | 85.1 | Confident | 85.3 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 176.5 | -175.9 | 58.1 | 0 | 0 | 0 | 112.8 | Q681 E682 I688 N689 | Q681-H685 PolarHBondContact O-N 3.06Å; E682-H685 PolarHBondContact O-N 3.06Å; H685-I688 PolarHBondContact O-N 3.35Å; H685-N689 PolarHBondContact CE1-ND2 2.63Å; H685-N689 PolarHBondContact CE1-OD1 2.75Å; H685-N689 PolarHBondContact NE2-ND2 2.82Å; H685-N689 VanDerWaalsContact O-CG 3.3Å; H685-N689 PolarHBondContact O-N 3.32Å; H685-N689 PolarHBondContact O-ND2 2.93Å |
| 686 | F | 85.9 | Confident | 85.5 | Confident | 124 Ų | 124 | 72.3 Ų | 72.3 | 54% | 0.544 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 172.9 | 176.9 | -98.2 | 0 | 0 | 0 | 112.5 | E682 L683 N684 N689 K690 | E682-F686 PolarHBondContact O-N 3.22Å; L683-F686 PolarHBondContact O-N 2.83Å; N684-F686 VanDerWaalsContact C-N 3.32Å; N684-F686 PolarHBondContact O-N 2.91Å; F686-N689 PolarHBondContact O-N 2.63Å; F686-K690 HydrophobicContact CE1-CD 4.42Å; F686-K690 WeakPolarHBondContact O-CB 3.36Å; F686-K690 PolarHBondContact O-N 3.24Å |
| 687 | N | 83.5 | Confident | 85.7 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 177 | -75.2 | -34.4 | 0 | 0 | 0 | 112.5 | L562 L683 N684 K690 Y691 | L562-N687 HydrophobicContact CD1-CB 3.83Å; L683-N687 PolarHBondContact O-N 3.3Å; L683-N687 PolarHBondContact O-ND2 3.12Å; N684-N687 PolarHBondContact O-N 3.47Å; N684-N687 VanDerWaalsContact O-N 3.1Å; N687-K690 PolarHBondContact O-N 2.8Å; N687-Y691 WeakPolarHBondContact O-CB 3.4Å; N687-Y691 PolarHBondContact O-N 3.08Å |
| 688 | I | 87.4 | Confident | 86 | Confident | 54 Ų | 54 | 72 Ų | 72 | 28% | 0.277 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.3 | -67.2 | 171.6 | 0 | 0 | 0 | 111.1 | L562 N684 H685 K690 Y691 N692 | L562-I688 HydrophobicContact CD1-CG1 3.78Å; N684-I688 WeakPolarHBondContact O-CG1 3.31Å; N684-I688 PolarHBondContact O-N 3.29Å; H685-I688 PolarHBondContact O-N 3.35Å; I688-K690 VanDerWaalsContact C-N 3.35Å; I688-K690 PolarHBondContact O-N 3.11Å; I688-Y691 WeakPolarHBondContact O-CB 3.38Å; I688-Y691 PolarHBondContact O-N 2.95Å; I688-N692 VanDerWaalsContact O-CG 3.32Å; I688-N692 PolarHBondContact O-N 3.22Å; I688-N692 PolarHBondContact O-ND2 3.08Å |
| 689 | N | 86.9 | Confident | 86.1 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 179.3 | -66.5 | -21.2 | 0 | 0 | 0 | 110.9 | H685 F686 Y691 N692 E693 | H685-N689 PolarHBondContact CE1-ND2 2.63Å; H685-N689 PolarHBondContact CE1-OD1 2.75Å; H685-N689 PolarHBondContact NE2-ND2 2.82Å; H685-N689 VanDerWaalsContact O-CG 3.3Å; H685-N689 PolarHBondContact O-N 3.32Å; H685-N689 PolarHBondContact O-ND2 2.93Å; F686-N689 PolarHBondContact O-N 2.63Å; N689-Y691 VanDerWaalsContact C-N 3.35Å; N689-Y691 PolarHBondContact O-N 2.89Å; N689-N692 PolarHBondContact O-N 2.92Å; N689-E693 WeakPolarHBondContact O-CG 3.38Å; N689-E693 PolarHBondContact O-N 3.19Å |
| 690 | K | 88.1 | Confident | 86.4 | Confident | 89 Ų | 89 | 73.9 Ų | 73.9 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -34.5 | 176.5 | -168.1 | -177.1 | 179.2 | -178.4 | 0 | 113.3 | I558 F686 N687 I688 T694 | I558-K690 HydrophobicContact CD1-CD 4.17Å; I558-K690 HydrophobicContact CD1-CG 3.95Å; I558-K690 HydrophobicContact CG1-CD 4.34Å; F686-K690 HydrophobicContact CE1-CD 4.42Å; F686-K690 WeakPolarHBondContact O-CB 3.36Å; F686-K690 PolarHBondContact O-N 3.24Å; N687-K690 PolarHBondContact O-N 2.8Å; I688-K690 VanDerWaalsContact C-N 3.35Å; I688-K690 PolarHBondContact O-N 3.11Å; K690-T694 WeakPolarHBondContact O-CB 3.44Å; K690-T694 WeakPolarHBondContact O-CG2 3.32Å; K690-T694 PolarHBondContact O-N 2.81Å; K690-T694 PolarHBondContact O-OG1 2.93Å |
| 691 | Y | 89.8 | Confident | 86.7 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 172.2 | 177.2 | -84.9 | 0 | 0 | 0 | 110.5 | L555 I558 N687 I688 N689 E693 T694 N695 | L555-Y691 HydrophobicContact CD2-CD2 4.22Å; L555-Y691 HydrophobicContact CD2-CE2 3.62Å; L555-Y691 HydrophobicContact CG-CE2 4.36Å; I558-Y691 HydrophobicContact CG2-CD2 4.26Å; N687-Y691 WeakPolarHBondContact O-CB 3.4Å; N687-Y691 PolarHBondContact O-N 3.08Å; I688-Y691 WeakPolarHBondContact O-CB 3.38Å; I688-Y691 PolarHBondContact O-N 2.95Å; N689-Y691 VanDerWaalsContact C-N 3.35Å; N689-Y691 PolarHBondContact O-N 2.89Å; Y691-E693 PolarHBondContact O-N 2.94Å; Y691-T694 PolarHBondContact O-N 3Å; Y691-T694 PolarHBondContact O-OG1 3.23Å; Y691-N695 VanDerWaalsContact O-CB 3.28Å; Y691-N695 WeakPolarHBondContact O-CB 3.48Å; Y691-N695 PolarHBondContact O-N 3.23Å |
| 692 | N | 88.3 | Confident | 87.1 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 179.7 | -67 | -31.3 | 0 | 0 | 0 | 112 | I688 N689 N695 D696 | I688-N692 VanDerWaalsContact O-CG 3.32Å; I688-N692 PolarHBondContact O-N 3.22Å; I688-N692 PolarHBondContact O-ND2 3.08Å; N689-N692 PolarHBondContact O-N 2.92Å; N692-N695 PolarHBondContact O-N 2.94Å; N692-D696 WeakPolarHBondContact O-CB 3.48Å; N692-D696 PolarHBondContact O-N 2.81Å |
| 693 | E | 87.1 | Confident | 87.4 | Confident | 127 Ų | 127 | 72 Ų | 72 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.9 | -46.3 | 175.8 | -72.1 | 172.7 | 178.8 | 0 | 0 | 112.6 | N689 Y691 L697 | N689-E693 WeakPolarHBondContact O-CG 3.38Å; N689-E693 PolarHBondContact O-N 3.19Å; Y691-E693 PolarHBondContact O-N 2.94Å; E693-L697 WeakPolarHBondContact O-CG 3.32Å; E693-L697 PolarHBondContact O-N 3.45Å |
| 694 | T | 86.7 | Confident | 87.5 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.7 | -31.2 | -179 | 49.3 | 0 | 0 | 0 | 0 | 113 | I558 K690 Y691 L698 | I558-T694 HydrophobicContact CD1-CG2 3.83Å; I558-T694 WeakPolarHBondContact CD1-OG1 3.4Å; K690-T694 WeakPolarHBondContact O-CB 3.44Å; K690-T694 WeakPolarHBondContact O-CG2 3.32Å; K690-T694 PolarHBondContact O-N 2.81Å; K690-T694 PolarHBondContact O-OG1 2.93Å; Y691-T694 PolarHBondContact O-N 3Å; Y691-T694 PolarHBondContact O-OG1 3.23Å; T694-L698 WeakPolarHBondContact O-CB 3.16Å; T694-L698 PolarHBondContact O-N 3.24Å |
| 695 | N | 88.2 | Confident | 87.8 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.5 | -41 | 175.2 | -170.5 | 70.1 | 0 | 0 | 0 | 112.5 | L555 Y691 N692 L698 E699 | L555-N695 HydrophobicContact CD1-CB 3.98Å; Y691-N695 VanDerWaalsContact O-CB 3.28Å; Y691-N695 WeakPolarHBondContact O-CB 3.48Å; Y691-N695 PolarHBondContact O-N 3.23Å; N692-N695 PolarHBondContact O-N 2.94Å; N695-L698 PolarHBondContact O-N 3.06Å; N695-E699 PolarHBondContact O-N 3.35Å |
| 696 | D | 89.1 | Confident | 87.9 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 41% | 0.412 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 173.6 | 167.7 | 72.7 | 0 | 0 | 0 | 112.3 | N692 K700 | N692-D696 WeakPolarHBondContact O-CB 3.48Å; N692-D696 PolarHBondContact O-N 2.81Å; D696-K700 WeakPolarHBondContact O-CD 3.29Å; D696-K700 WeakPolarHBondContact O-CG 3.1Å; D696-K700 PolarHBondContact O-N 2.94Å; D696-K700 WeakPolarHBondContact OD1-CE 3.29Å; D696-K700 IonicContact OD1-NZ 2.93Å; D696-K700 PolarHBondContact OD1-NZ 3.06Å; D696-K700 IonicContact OD2-NZ 2.65Å; D696-K700 PolarHBondContact OD2-NZ 3.12Å |
| 697 | L | 88.5 | Confident | 88 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 44% | 0.44 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 173.1 | -72 | 171.2 | 0 | 0 | 0 | 112.4 | E693 E699 K700 M701 | E693-L697 WeakPolarHBondContact O-CG 3.32Å; E693-L697 PolarHBondContact O-N 3.45Å; L697-E699 VanDerWaalsContact C-N 3.34Å; L697-E699 PolarHBondContact O-N 3.15Å; L697-K700 PolarHBondContact O-N 2.6Å; L697-M701 WeakPolarHBondContact O-CG 3.3Å; L697-M701 PolarHBondContact O-N 3.45Å; L697-M701 VanDerWaalsContact O-N 3.1Å |
| 698 | L | 89.3 | Confident | 88.2 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 178.4 | 176.8 | 63.8 | 0 | 0 | 0 | 111.5 | L548 M551 E552 L555 T694 N695 M701 K702 | L548-L698 HydrophobicContact CD2-CD1 3.73Å; M551-L698 HydrophobicContact CB-CD1 3.92Å; E552-L698 HydrophobicContact CG-CD1 4.18Å; E552-L698 HydrophobicContact CG-CD2 4.47Å; L555-L698 HydrophobicContact CD1-CD2 3.65Å; T694-L698 WeakPolarHBondContact O-CB 3.16Å; T694-L698 PolarHBondContact O-N 3.24Å; N695-L698 PolarHBondContact O-N 3.06Å; L698-M701 PolarHBondContact O-N 3.08Å; L698-K702 WeakPolarHBondContact O-CG 3.17Å; L698-K702 PolarHBondContact O-N 3.5Å |
| 699 | E | 88.4 | Confident | 88.2 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | -179 | -160.4 | 62.2 | -165.2 | 0 | 0 | 112.1 | N695 L697 M701 K702 V703 | N695-E699 PolarHBondContact O-N 3.35Å; L697-E699 VanDerWaalsContact C-N 3.34Å; L697-E699 PolarHBondContact O-N 3.15Å; E699-M701 VanDerWaalsContact C-N 3.29Å; E699-M701 PolarHBondContact O-N 2.83Å; E699-K702 PolarHBondContact O-N 2.97Å; E699-K702 WeakPolarHBondContact OE2-CD 3.32Å; E699-K702 IonicContact OE2-NZ 3.16Å; E699-K702 PolarHBondContact OE2-NZ 3.29Å; E699-V703 WeakPolarHBondContact O-CG2 3.36Å; E699-V703 PolarHBondContact O-N 2.8Å; E699-V703 VanDerWaalsContact O-N 3.12Å |
| 700 | K | 89.2 | Confident | 88.3 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 53% | 0.53 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 172.4 | -73.3 | 164.5 | -177.2 | 166.1 | 0 | 112.4 | D696 L697 S704 | D696-K700 WeakPolarHBondContact O-CD 3.29Å; D696-K700 WeakPolarHBondContact O-CG 3.1Å; D696-K700 PolarHBondContact O-N 2.94Å; D696-K700 WeakPolarHBondContact OD1-CE 3.29Å; D696-K700 IonicContact OD1-NZ 2.93Å; D696-K700 PolarHBondContact OD1-NZ 3.06Å; D696-K700 IonicContact OD2-NZ 2.65Å; D696-K700 PolarHBondContact OD2-NZ 3.12Å; L697-K700 PolarHBondContact O-N 2.6Å; K700-S704 PolarHBondContact O-N 3.45Å |
| 701 | M | 88.7 | Confident | 88.3 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 17% | 0.172 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 176.8 | -69.2 | 171.2 | 66 | 0 | 0 | 112.5 | L544 D547 L548 M551 L697 L698 E699 S704 E705 | L544-M701 HydrophobicContact CD1-CE 4.27Å; D547-M701 HydrophobicContact CB-CE 3.57Å; L548-M701 HydrophobicContact CD2-CB 3.46Å; L548-M701 VanDerWaalsContact CD2-CB 3.46Å; L548-M701 HydrophobicContact CD2-CE 4.43Å; L548-M701 HydrophobicContact CG-CB 4.11Å; L548-M701 HydrophobicContact CG-CE 4.28Å; M551-M701 HydrophobicContact CE-SD 4.1Å; M551-M701 HydrophobicContact CG-CE 4.18Å; M551-M701 HydrophobicContact CG-SD 3.84Å; L697-M701 WeakPolarHBondContact O-CG 3.3Å; L697-M701 PolarHBondContact O-N 3.45Å; L697-M701 VanDerWaalsContact O-N 3.1Å; L698-M701 PolarHBondContact O-N 3.08Å; E699-M701 VanDerWaalsContact C-N 3.29Å; E699-M701 PolarHBondContact O-N 2.83Å; M701-S704 WeakPolarHBondContact O-CB 3.43Å; M701-S704 PolarHBondContact O-N 2.69Å; M701-E705 PolarHBondContact O-N 2.87Å |
| 702 | K | 89.4 | Confident | 88.2 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 35% | 0.348 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.4 | -68.5 | 177.8 | -162.3 | 151 | 0 | 112.5 | L548 L698 E699 S704 E705 E706 | L548-K702 HydrophobicContact CD2-CG 3.94Å; L698-K702 WeakPolarHBondContact O-CG 3.17Å; L698-K702 PolarHBondContact O-N 3.5Å; E699-K702 PolarHBondContact O-N 2.97Å; E699-K702 WeakPolarHBondContact OE2-CD 3.32Å; E699-K702 IonicContact OE2-NZ 3.16Å; E699-K702 PolarHBondContact OE2-NZ 3.29Å; K702-S704 PolarHBondContact O-N 2.78Å; K702-E705 PolarHBondContact O-N 2.64Å; K702-E705 VanDerWaalsContact O-N 3.12Å; K702-E706 PolarHBondContact O-N 3.35Å |
| 703 | V | 90.6 | Very high | 88.2 | Confident | 100 Ų | 100 | 70 Ų | 70 | 61% | 0.606 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.8 | -37.4 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | E699 S707 | E699-V703 WeakPolarHBondContact O-CG2 3.36Å; E699-V703 PolarHBondContact O-N 2.8Å; E699-V703 VanDerWaalsContact O-N 3.12Å; V703-S707 WeakPolarHBondContact O-CB 3.41Å; V703-S707 PolarHBondContact O-N 3.12Å |
| 704 | S | 86.4 | Confident | 88.3 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.8 | -37.8 | 174.2 | -161.5 | 0 | 0 | 0 | 0 | 112.9 | K700 M701 K702 L708 | K700-S704 PolarHBondContact O-N 3.45Å; M701-S704 WeakPolarHBondContact O-CB 3.43Å; M701-S704 PolarHBondContact O-N 2.69Å; K702-S704 PolarHBondContact O-N 2.78Å; S704-L708 WeakPolarHBondContact O-CB 3.49Å; S704-L708 PolarHBondContact O-N 3.13Å; S704-L708 VanDerWaalsContact O-N 3.09Å |
| 705 | E | 87.6 | Confident | 88.2 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 177.5 | -170.8 | -165.4 | -179.3 | 0 | 0 | 111.5 | L544 Q545 L548 M701 K702 S707 L708 R709 | L544-E705 HydrophobicContact CD2-CB 4.05Å; Q545-E705 VanDerWaalsContact CG-OE1 3.31Å; Q545-E705 WeakPolarHBondContact CG-OE1 3.29Å; Q545-E705 PolarHBondContact NE2-OE1 2.61Å; L548-E705 HydrophobicContact CD1-CB 3.87Å; L548-E705 HydrophobicContact CD1-CG 4.18Å; L548-E705 WeakPolarHBondContact CD1-OE2 3.3Å; M701-E705 PolarHBondContact O-N 2.87Å; K702-E705 PolarHBondContact O-N 2.64Å; K702-E705 VanDerWaalsContact O-N 3.12Å; E705-S707 VanDerWaalsContact C-N 3.32Å; E705-S707 PolarHBondContact O-N 2.85Å; E705-L708 PolarHBondContact O-N 2.98Å; E705-R709 VanDerWaalsContact O-CB 3.29Å; E705-R709 WeakPolarHBondContact O-CB 3.37Å; E705-R709 PolarHBondContact O-N 3.44Å |
| 706 | E | 88 | Confident | 88.1 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | -179.1 | -176.3 | 56.8 | -159.7 | 0 | 0 | 111.4 | K702 L708 R709 Q710 | K702-E706 PolarHBondContact O-N 3.35Å; E706-L708 PolarHBondContact O-N 2.93Å; E706-R709 PolarHBondContact O-N 3.41Å; E706-R709 IonicContact OE1-NH1 3.29Å; E706-R709 PolarHBondContact OE1-NH1 2.87Å; E706-R709 WeakPolarHBondContact OE2-CD 3.38Å; E706-R709 IonicContact OE2-CZ 2.77Å; E706-R709 IonicContact OE2-NE 2.69Å; E706-R709 IonicContact OE2-NH1 3.77Å; E706-R709 PolarHBondContact OE2-NH1 3.27Å; E706-Q710 VanDerWaalsContact O-CG 3.29Å; E706-Q710 WeakPolarHBondContact O-CG 3.33Å; E706-Q710 PolarHBondContact O-N 3.2Å; E706-Q710 PolarHBondContact OE1-NE2 2.86Å |
| 707 | S | 86.8 | Confident | 88.1 | Confident | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | V703 E705 T711 | V703-S707 WeakPolarHBondContact O-CB 3.41Å; V703-S707 PolarHBondContact O-N 3.12Å; E705-S707 VanDerWaalsContact C-N 3.32Å; E705-S707 PolarHBondContact O-N 2.85Å; S707-T711 PolarHBondContact O-N 2.89Å; S707-T711 VanDerWaalsContact O-N 3.16Å; S707-T711 PolarHBondContact O-OG1 3.08Å |
| 708 | L | 88.2 | Confident | 87.9 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 176.2 | -170.5 | 67.7 | 0 | 0 | 0 | 112 | L537 E540 R541 S704 E705 E706 T711 L712 | L537-L708 HydrophobicContact CD2-CD1 3.7Å; E540-L708 HydrophobicContact CB-CD2 4.05Å; E540-L708 HydrophobicContact CG-CD1 4.31Å; E540-L708 HydrophobicContact CG-CD2 3.82Å; R541-L708 HydrophobicContact CB-CD2 3.95Å; S704-L708 WeakPolarHBondContact O-CB 3.49Å; S704-L708 PolarHBondContact O-N 3.13Å; S704-L708 VanDerWaalsContact O-N 3.09Å; E705-L708 PolarHBondContact O-N 2.98Å; E706-L708 PolarHBondContact O-N 2.93Å; L708-T711 WeakPolarHBondContact O-CB 3.21Å; L708-T711 PolarHBondContact O-N 2.88Å; L708-L712 PolarHBondContact O-N 3.25Å |
| 709 | R | 87.6 | Confident | 87.8 | Confident | 123 Ų | 123 | 71.9 Ų | 71.9 | 46% | 0.464 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 177.6 | -178.6 | 169.4 | 168.6 | -88 | -7.8 | 112.6 | E705 E706 T711 L712 L713 | E705-R709 VanDerWaalsContact O-CB 3.29Å; E705-R709 WeakPolarHBondContact O-CB 3.37Å; E705-R709 PolarHBondContact O-N 3.44Å; E706-R709 PolarHBondContact O-N 3.41Å; E706-R709 IonicContact OE1-NH1 3.29Å; E706-R709 PolarHBondContact OE1-NH1 2.87Å; E706-R709 WeakPolarHBondContact OE2-CD 3.38Å; E706-R709 IonicContact OE2-CZ 2.77Å; E706-R709 IonicContact OE2-NE 2.69Å; E706-R709 IonicContact OE2-NH1 3.77Å; E706-R709 PolarHBondContact OE2-NH1 3.27Å; R709-T711 VanDerWaalsContact C-N 3.33Å; R709-L712 PolarHBondContact O-N 3.18Å; R709-L713 WeakPolarHBondContact O-CG 3.16Å; R709-L713 PolarHBondContact O-N 2.96Å; R709-L713 VanDerWaalsContact O-N 3.07Å |
| 710 | Q | 88.5 | Confident | 87.7 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 49% | 0.486 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 171 | -68.3 | -65.3 | -25.2 | 0 | 0 | 111.7 | E706 L713 K714 | E706-Q710 VanDerWaalsContact O-CG 3.29Å; E706-Q710 WeakPolarHBondContact O-CG 3.33Å; E706-Q710 PolarHBondContact O-N 3.2Å; E706-Q710 PolarHBondContact OE1-NE2 2.86Å; Q710-L713 PolarHBondContact O-N 3.48Å; Q710-K714 PolarHBondContact O-N 2.81Å |
| 711 | T | 87.8 | Confident | 87.7 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 39% | 0.387 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | L537 S707 L708 R709 K714 T715 | L537-T711 HydrophobicContact CD1-CG2 4.1Å; L537-T711 HydrophobicContact CD2-CG2 4.21Å; S707-T711 PolarHBondContact O-N 2.89Å; S707-T711 VanDerWaalsContact O-N 3.16Å; S707-T711 PolarHBondContact O-OG1 3.08Å; L708-T711 WeakPolarHBondContact O-CB 3.21Å; L708-T711 PolarHBondContact O-N 2.88Å; R709-T711 VanDerWaalsContact C-N 3.33Å; T711-K714 PolarHBondContact O-N 3.24Å; T711-T715 PolarHBondContact O-N 3.01Å; T711-T715 VanDerWaalsContact O-N 3.1Å; T711-T715 PolarHBondContact O-OG1 3.25Å |
| 712 | L | 86.9 | Confident | 87.4 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.2 | -52.1 | 174.1 | -86.6 | 167.7 | 0 | 0 | 0 | 112.2 | L534 L537 Q538 R541 L708 R709 K714 T715 E716 | L534-L712 HydrophobicContact CD2-CD2 4.29Å; L537-L712 HydrophobicContact CB-CD2 3.49Å; L537-L712 VanDerWaalsContact CB-CD2 3.49Å; L537-L712 HydrophobicContact CB-CG 3.94Å; L537-L712 HydrophobicContact CD1-CD2 4.47Å; Q538-L712 HydrophobicContact CG-CD2 3.86Å; R541-L712 HydrophobicContact CB-CD1 4.03Å; R541-L712 HydrophobicContact CG-CD1 4.35Å; L708-L712 PolarHBondContact O-N 3.25Å; R709-L712 PolarHBondContact O-N 3.18Å; L712-K714 VanDerWaalsContact C-N 3.29Å; L712-K714 PolarHBondContact O-N 3.46Å; L712-T715 WeakPolarHBondContact CA-OG1 3.5Å; L712-T715 PolarHBondContact O-N 3.38Å; L712-T715 VanDerWaalsContact O-N 3.07Å; L712-T715 PolarHBondContact O-OG1 3.43Å; L712-E716 PolarHBondContact O-N 3.29Å |
| 713 | L | 89 | Confident | 87.2 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -53.9 | -45.4 | 179 | -77.1 | 167.2 | 0 | 0 | 0 | 112 | R709 Q710 T715 E716 E717 | R709-L713 WeakPolarHBondContact O-CG 3.16Å; R709-L713 PolarHBondContact O-N 2.96Å; R709-L713 VanDerWaalsContact O-N 3.07Å; Q710-L713 PolarHBondContact O-N 3.48Å; L713-T715 PolarHBondContact O-N 2.82Å; L713-E716 PolarHBondContact O-N 3.19Å; L713-E717 PolarHBondContact O-N 3.04Å |
| 714 | K | 88.7 | Confident | 87 | Confident | 140 Ų | 140 | 72.2 Ų | 72.2 | 61% | 0.609 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.6 | -45.1 | 176.6 | -173 | 177.6 | 178.8 | -178.9 | 0 | 112.3 | Q710 T711 L712 E716 E717 D718 | Q710-K714 PolarHBondContact O-N 2.81Å; T711-K714 PolarHBondContact O-N 3.24Å; L712-K714 VanDerWaalsContact C-N 3.29Å; L712-K714 PolarHBondContact O-N 3.46Å; K714-E716 VanDerWaalsContact C-N 3.33Å; K714-E716 PolarHBondContact O-N 3.27Å; K714-E717 PolarHBondContact O-N 3.18Å; K714-D718 PolarHBondContact O-N 3.45Å |
| 715 | T | 85.5 | Confident | 86.8 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 13% | 0.129 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.1 | -30.1 | 177.1 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | L534 L537 T711 L712 L713 L719 | L534-T715 WeakPolarHBondContact CD2-OG1 3.31Å; L537-T715 HydrophobicContact CD1-CG2 3.92Å; T711-T715 PolarHBondContact O-N 3.01Å; T711-T715 VanDerWaalsContact O-N 3.1Å; T711-T715 PolarHBondContact O-OG1 3.25Å; L712-T715 WeakPolarHBondContact CA-OG1 3.5Å; L712-T715 PolarHBondContact O-N 3.38Å; L712-T715 VanDerWaalsContact O-N 3.07Å; L712-T715 PolarHBondContact O-OG1 3.43Å; L713-T715 PolarHBondContact O-N 2.82Å; T715-L719 PolarHBondContact O-N 3.41Å |
| 716 | E | 85.9 | Confident | 86.7 | Confident | 80 Ų | 80 | 72.2 Ų | 72.2 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.1 | -35.8 | 173.1 | -71.7 | -171.1 | 174 | 0 | 0 | 112.5 | L534 L712 L713 K714 Q720 | L534-E716 HydrophobicContact CD2-CG 3.66Å; L712-E716 PolarHBondContact O-N 3.29Å; L713-E716 PolarHBondContact O-N 3.19Å; K714-E716 VanDerWaalsContact C-N 3.33Å; K714-E716 PolarHBondContact O-N 3.27Å; E716-Q720 WeakPolarHBondContact O-CG 3.35Å; E716-Q720 PolarHBondContact O-N 2.81Å |
| 717 | E | 88.3 | Confident | 86.4 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 171.3 | -70.3 | -167 | 176.4 | 0 | 0 | 112.3 | L713 K714 L719 Q720 K721 | L713-E717 PolarHBondContact O-N 3.04Å; K714-E717 PolarHBondContact O-N 3.18Å; E717-L719 VanDerWaalsContact C-N 3.32Å; E717-L719 PolarHBondContact O-N 2.9Å; E717-Q720 WeakPolarHBondContact O-CB 3.08Å; E717-Q720 PolarHBondContact O-N 3.17Å; E717-K721 WeakPolarHBondContact O-CG 3.47Å; E717-K721 PolarHBondContact O-N 3.37Å; E717-K721 IonicContact OE2-NZ 3.54Å; E717-K721 PolarHBondContact OE2-NZ 2.88Å |
| 718 | D | 85.7 | Confident | 86.2 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 32% | 0.316 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | -177.7 | -69 | -17.8 | 0 | 0 | 0 | 111 | K714 Q720 K721 T722 | K714-D718 PolarHBondContact O-N 3.45Å; D718-Q720 PolarHBondContact O-N 3.31Å; D718-K721 PolarHBondContact O-N 2.82Å; D718-K721 WeakPolarHBondContact OD1-CD 3.29Å; D718-K721 IonicContact OD1-NZ 3.42Å; D718-K721 PolarHBondContact OD1-NZ 2.95Å; D718-T722 PolarHBondContact O-N 3.33Å; D718-T722 PolarHBondContact O-OG1 3.26Å |
| 719 | L | 86.7 | Confident | 85.9 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56 | -47.2 | 166.6 | -178.1 | 65.7 | 0 | 0 | 0 | 112 | L527 I530 Y531 L534 T715 E717 K721 T722 M723 | L527-L719 HydrophobicContact CD1-CD1 3.64Å; L527-L719 HydrophobicContact CG-CD1 4.42Å; I530-L719 HydrophobicContact CB-CD1 4.41Å; I530-L719 HydrophobicContact CG2-CB 3.76Å; I530-L719 HydrophobicContact CG2-CD1 4.04Å; I530-L719 HydrophobicContact CG2-CG 4.46Å; Y531-L719 HydrophobicContact CD1-CD1 4.31Å; Y531-L719 HydrophobicContact CD1-CD2 4.21Å; Y531-L719 HydrophobicContact CE1-CD1 3.96Å; Y531-L719 HydrophobicContact CE1-CD2 3.62Å; Y531-L719 HydrophobicContact CE1-CG 4.45Å; Y531-L719 HydrophobicContact CE2-CD1 4.22Å; L534-L719 HydrophobicContact CD1-CB 4.13Å; L534-L719 HydrophobicContact CD1-CD2 3.65Å; L534-L719 HydrophobicContact CD1-CG 4.38Å; T715-L719 PolarHBondContact O-N 3.41Å; E717-L719 VanDerWaalsContact C-N 3.32Å; E717-L719 PolarHBondContact O-N 2.9Å; L719-K721 VanDerWaalsContact C-N 3.3Å; L719-K721 PolarHBondContact O-N 3.49Å; L719-T722 PolarHBondContact O-N 3.44Å; L719-M723 HydrophobicContact CD1-CG 4.32Å; L719-M723 HydrophobicContact CD1-SD 4.41Å; L719-M723 HydrophobicContact CD2-SD 4.47Å; L719-M723 HydrophobicContact CG-CG 4.39Å; L719-M723 HydrophobicContact CG-SD 4.08Å; L719-M723 WeakPolarHBondContact O-CB 3.26Å; L719-M723 VanDerWaalsContact O-CG 3.31Å; L719-M723 WeakPolarHBondContact O-CG 3.27Å; L719-M723 PolarHBondContact O-N 3.33Å |
| 720 | Q | 87.1 | Confident | 85.5 | Confident | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -30.4 | -180 | -71.5 | 177.4 | 45.6 | 0 | 0 | 113.1 | E716 E717 D718 K724 | E716-Q720 WeakPolarHBondContact O-CG 3.35Å; E716-Q720 PolarHBondContact O-N 2.81Å; E717-Q720 WeakPolarHBondContact O-CB 3.08Å; E717-Q720 PolarHBondContact O-N 3.17Å; D718-Q720 PolarHBondContact O-N 3.31Å; Q720-K724 WeakPolarHBondContact O-CG 3.4Å; Q720-K724 PolarHBondContact O-N 3.46Å |
| 721 | K | 87.6 | Confident | 85.2 | Confident | 106 Ų | 106 | 70 Ų | 70 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.9 | -50.1 | 173.3 | -65.6 | 161.2 | -154.1 | 159 | 0 | 110 | E717 D718 L719 M723 K724 S725 | E717-K721 WeakPolarHBondContact O-CG 3.47Å; E717-K721 PolarHBondContact O-N 3.37Å; E717-K721 IonicContact OE2-NZ 3.54Å; E717-K721 PolarHBondContact OE2-NZ 2.88Å; D718-K721 PolarHBondContact O-N 2.82Å; D718-K721 WeakPolarHBondContact OD1-CD 3.29Å; D718-K721 IonicContact OD1-NZ 3.42Å; D718-K721 PolarHBondContact OD1-NZ 2.95Å; L719-K721 VanDerWaalsContact C-N 3.3Å; L719-K721 PolarHBondContact O-N 3.49Å; K721-M723 PolarHBondContact O-N 3.36Å; K721-K724 PolarHBondContact O-N 3.19Å; K721-S725 PolarHBondContact O-N 3.13Å; K721-S725 VanDerWaalsContact O-N 3.16Å |
| 722 | T | 83.3 | Confident | 85 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | Q526 L527 D718 L719 K724 S725 K726 | Q526-T722 HydrophobicContact CB-CG2 4.2Å; L527-T722 HydrophobicContact CB-CG2 4.36Å; L527-T722 HydrophobicContact CD1-CG2 4.04Å; D718-T722 PolarHBondContact O-N 3.33Å; D718-T722 PolarHBondContact O-OG1 3.26Å; L719-T722 PolarHBondContact O-N 3.44Å; T722-K724 PolarHBondContact O-N 3.02Å; T722-S725 PolarHBondContact O-N 3.09Å; T722-K726 PolarHBondContact O-N 2.75Å |
| 723 | M | 84.5 | Confident | 84.6 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 177.3 | -76 | -177.7 | 70.5 | 0 | 0 | 112.6 | L527 L719 K721 S725 K726 E727 | L527-M723 HydrophobicContact CD1-CG 3.64Å; L719-M723 HydrophobicContact CD1-CG 4.32Å; L719-M723 HydrophobicContact CD1-SD 4.41Å; L719-M723 HydrophobicContact CD2-SD 4.47Å; L719-M723 HydrophobicContact CG-CG 4.39Å; L719-M723 HydrophobicContact CG-SD 4.08Å; L719-M723 WeakPolarHBondContact O-CB 3.26Å; L719-M723 VanDerWaalsContact O-CG 3.31Å; L719-M723 WeakPolarHBondContact O-CG 3.27Å; L719-M723 PolarHBondContact O-N 3.33Å; K721-M723 PolarHBondContact O-N 3.36Å; M723-S725 VanDerWaalsContact C-N 3.34Å; M723-S725 PolarHBondContact O-N 3.43Å; M723-K726 WeakPolarHBondContact O-CB 3.33Å; M723-K726 PolarHBondContact O-N 2.7Å; M723-E727 WeakPolarHBondContact O-CG 3.27Å; M723-E727 PolarHBondContact O-N 3.46Å |
| 724 | K | 87.7 | Confident | 84.1 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 61% | 0.609 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.7 | -37.4 | 177.9 | -70.6 | 172.7 | -177.7 | 172.9 | 0 | 112.6 | Q720 K721 T722 E727 S728 | Q720-K724 WeakPolarHBondContact O-CG 3.4Å; Q720-K724 PolarHBondContact O-N 3.46Å; K721-K724 PolarHBondContact O-N 3.19Å; T722-K724 PolarHBondContact O-N 3.02Å; K724-E727 PolarHBondContact O-N 2.88Å; K724-S728 PolarHBondContact O-N 3.07Å |
| 725 | S | 81.4 | Confident | 83.7 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.2 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | K721 T722 M723 S728 L729 | K721-S725 PolarHBondContact O-N 3.13Å; K721-S725 VanDerWaalsContact O-N 3.16Å; T722-S725 PolarHBondContact O-N 3.09Å; M723-S725 VanDerWaalsContact C-N 3.34Å; M723-S725 PolarHBondContact O-N 3.43Å; S725-S728 PolarHBondContact O-N 2.84Å; S725-L729 WeakPolarHBondContact O-CG 3.39Å; S725-L729 PolarHBondContact O-N 3.03Å; S725-L729 VanDerWaalsContact O-N 3.09Å |
| 726 | K | 85 | Confident | 83.3 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 20% | 0.2 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 174.1 | 179.4 | 177.2 | 169.2 | 176.9 | 0 | 112.6 | D524 L527 T722 M723 S728 L729 E730 | D524-K726 VanDerWaalsContact OD1-CE 3.26Å; D524-K726 WeakPolarHBondContact OD1-CE 3.32Å; D524-K726 IonicContact OD1-NZ 3.65Å; D524-K726 PolarHBondContact OD1-NZ 3.18Å; L527-K726 HydrophobicContact CD2-CD 4.4Å; T722-K726 PolarHBondContact O-N 2.75Å; M723-K726 WeakPolarHBondContact O-CB 3.33Å; M723-K726 PolarHBondContact O-N 2.7Å; K726-S728 VanDerWaalsContact C-N 3.32Å; K726-S728 PolarHBondContact O-N 2.77Å; K726-L729 PolarHBondContact O-N 2.83Å; K726-E730 WeakPolarHBondContact O-CG 3.42Å; K726-E730 PolarHBondContact O-N 2.62Å |
| 727 | E | 82.4 | Confident | 82.7 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 179 | -72.2 | 177.4 | 143.5 | 0 | 0 | 111.2 | M723 K724 L729 E730 E731 | M723-E727 WeakPolarHBondContact O-CG 3.27Å; M723-E727 PolarHBondContact O-N 3.46Å; K724-E727 PolarHBondContact O-N 2.88Å; E727-L729 PolarHBondContact O-N 3.19Å; E727-E730 PolarHBondContact O-N 3.06Å; E727-E731 PolarHBondContact O-N 3.38Å |
| 728 | S | 83.3 | Confident | 82.2 | Confident | 55 Ų | 55 | 72.1 Ų | 72.1 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.2 | -34.9 | 176.5 | -172.6 | 0 | 0 | 0 | 0 | 113.9 | K724 S725 K726 E731 Q732 | K724-S728 PolarHBondContact O-N 3.07Å; S725-S728 PolarHBondContact O-N 2.84Å; K726-S728 VanDerWaalsContact C-N 3.32Å; K726-S728 PolarHBondContact O-N 2.77Å; S728-E731 PolarHBondContact O-N 2.84Å; S728-Q732 WeakPolarHBondContact O-CG 3.43Å; S728-Q732 PolarHBondContact O-N 3.12Å; S728-Q732 PolarHBondContact O-NE2 2.9Å; S728-Q732 PolarHBondContact OG-NE2 3.23Å |
| 729 | L | 81 | Confident | 81.7 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 174.4 | -75.4 | 168.7 | 0 | 0 | 0 | 112.1 | L516 N519 S725 K726 E727 Q732 L733 | L516-L729 HydrophobicContact CD2-CD2 3.9Å; N519-L729 HydrophobicContact CB-CD1 4.15Å; N519-L729 HydrophobicContact CB-CD2 3.95Å; S725-L729 WeakPolarHBondContact O-CG 3.39Å; S725-L729 PolarHBondContact O-N 3.03Å; S725-L729 VanDerWaalsContact O-N 3.09Å; K726-L729 PolarHBondContact O-N 2.83Å; E727-L729 PolarHBondContact O-N 3.19Å; L729-Q732 PolarHBondContact O-N 3.25Å; L729-L733 WeakPolarHBondContact O-CG 3.39Å; L729-L733 PolarHBondContact O-N 3.19Å; L729-L733 VanDerWaalsContact O-N 3.1Å |
| 730 | E | 80.1 | Confident | 81.1 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 176.7 | -65.6 | -134.6 | 81.2 | 0 | 0 | 112.7 | K520 K726 E727 V734 R1093 | K520-E730 HydrophobicContact CD-CG 4.46Å; K520-E730 IonicContact NZ-OE1 3.74Å; K520-E730 PolarHBondContact NZ-OE1 3.33Å; K726-E730 WeakPolarHBondContact O-CG 3.42Å; K726-E730 PolarHBondContact O-N 2.62Å; E727-E730 PolarHBondContact O-N 3.06Å; E730-V734 WeakPolarHBondContact O-CG2 3.26Å; E730-V734 PolarHBondContact O-N 3.22Å; E730-R1093 IonicContact OE1-CZ 3.86Å; E730-R1093 IonicContact OE1-NH1 2.76Å; E730-R1093 PolarHBondContact OE1-NH1 3.34Å; E730-R1093 IonicContact OE1-NH2 3.69Å; E730-R1093 PolarHBondContact OE1-NH2 3.41Å; E730-R1093 IonicContact OE2-CZ 2.75Å; E730-R1093 IonicContact OE2-NH1 2.8Å; E730-R1093 PolarHBondContact OE2-NH1 3.12Å |
| 731 | E | 82.5 | Confident | 80.4 | Confident | 146 Ų | 146 | 69.1 Ų | 69.1 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 173.5 | -69.2 | -177.6 | 158.1 | 0 | 0 | 112.1 | E727 S728 V734 H735 | E727-E731 PolarHBondContact O-N 3.38Å; S728-E731 PolarHBondContact O-N 2.84Å; E731-V734 PolarHBondContact O-N 2.89Å; E731-H735 PolarHBondContact O-N 2.85Å; E731-H735 VanDerWaalsContact O-N 3.12Å |
| 732 | Q | 81.6 | Confident | 79.9 | Confident | 88 Ų | 88 | 67.8 Ų | 67.8 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 178.1 | -71.3 | 171.7 | 62.3 | 0 | 0 | 112.4 | L516 S728 L729 V734 H735 K736 | L516-Q732 HydrophobicContact CD1-CB 4.01Å; L516-Q732 HydrophobicContact CD2-CB 4.02Å; S728-Q732 WeakPolarHBondContact O-CG 3.43Å; S728-Q732 PolarHBondContact O-N 3.12Å; S728-Q732 PolarHBondContact O-NE2 2.9Å; S728-Q732 PolarHBondContact OG-NE2 3.23Å; L729-Q732 PolarHBondContact O-N 3.25Å; Q732-V734 PolarHBondContact O-N 3.32Å; Q732-H735 PolarHBondContact O-N 2.86Å; Q732-K736 PolarHBondContact O-N 2.91Å; Q732-K736 VanDerWaalsContact O-N 3.1Å |
| 733 | L | 79.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.7 | -48.6 | 174.3 | -80.2 | 168.3 | 0 | 0 | 0 | 112 | L513 L516 K517 K520 L729 H735 K736 D737 | L513-L733 HydrophobicContact CD1-CD2 3.86Å; L513-L733 HydrophobicContact CG-CD2 4.46Å; L516-L733 HydrophobicContact CB-CD2 3.47Å; L516-L733 VanDerWaalsContact CB-CD2 3.47Å; L516-L733 HydrophobicContact CB-CG 3.93Å; K517-L733 HydrophobicContact CG-CD2 3.83Å; K520-L733 HydrophobicContact CB-CD1 4.2Å; K520-L733 HydrophobicContact CD-CD1 3.84Å; L729-L733 WeakPolarHBondContact O-CG 3.39Å; L729-L733 PolarHBondContact O-N 3.19Å; L729-L733 VanDerWaalsContact O-N 3.1Å; L733-H735 VanDerWaalsContact C-N 3.3Å; L733-H735 PolarHBondContact O-N 2.9Å; L733-K736 PolarHBondContact O-N 3.32Å; L733-D737 PolarHBondContact O-N 3.03Å |
| 734 | V | 79.6 | Confident | 79 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -36.9 | 179.6 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | E730 E731 Q732 I738 | E730-V734 WeakPolarHBondContact O-CG2 3.26Å; E730-V734 PolarHBondContact O-N 3.22Å; E731-V734 PolarHBondContact O-N 2.89Å; Q732-V734 PolarHBondContact O-N 3.32Å; V734-I738 HydrophobicContact CG1-CD1 4.17Å; V734-I738 WeakPolarHBondContact O-CD1 3.33Å; V734-I738 WeakPolarHBondContact O-CG1 3.27Å; V734-I738 PolarHBondContact O-N 3.34Å |
| 735 | H | 79.1 | Confident | 78.4 | Confident | 127 Ų | 127 | 65.3 Ų | 65.3 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 176.3 | -165.2 | 81.9 | 0 | 0 | 0 | 112.1 | E731 Q732 L733 I738 E739 | E731-H735 PolarHBondContact O-N 2.85Å; E731-H735 VanDerWaalsContact O-N 3.12Å; Q732-H735 PolarHBondContact O-N 2.86Å; L733-H735 VanDerWaalsContact C-N 3.3Å; L733-H735 PolarHBondContact O-N 2.9Å; H735-I738 PolarHBondContact O-N 3.44Å; H735-E739 PolarHBondContact O-N 3.38Å; H735-E739 VanDerWaalsContact O-N 3.13Å |
| 736 | K | 77.5 | Confident | 77.9 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.5 | -34.5 | -178.3 | -72.5 | -73.9 | 166.3 | -177.3 | 0 | 113.4 | E512 L513 L516 Q732 L733 I738 E739 L740 | E512-K736 HydrophobicContact CB-CD 4.4Å; E512-K736 IonicContact OE1-NZ 3.03Å; E512-K736 WeakPolarHBondContact OE2-CD 3.45Å; E512-K736 WeakPolarHBondContact OE2-CE 3.39Å; E512-K736 IonicContact OE2-NZ 2.61Å; E512-K736 PolarHBondContact OE2-NZ 3.32Å; L513-K736 HydrophobicContact CB-CB 4.49Å; L513-K736 HydrophobicContact CD1-CB 3.8Å; L516-K736 HydrophobicContact CD1-CG 4.09Å; Q732-K736 PolarHBondContact O-N 2.91Å; Q732-K736 VanDerWaalsContact O-N 3.1Å; L733-K736 PolarHBondContact O-N 3.32Å; K736-I738 VanDerWaalsContact C-N 3.27Å; K736-I738 PolarHBondContact O-N 3.5Å; K736-E739 WeakPolarHBondContact CD-OE2 3.38Å; K736-E739 WeakPolarHBondContact CE-OE2 3.32Å; K736-E739 IonicContact NZ-OE2 3.24Å; K736-E739 PolarHBondContact NZ-OE2 3.35Å; K736-E739 PolarHBondContact O-N 3.48Å; K736-L740 WeakPolarHBondContact O-CB 3.28Å; K736-L740 WeakPolarHBondContact O-CG 3.33Å; K736-L740 PolarHBondContact O-N 2.97Å |
| 737 | D | 73.5 | Confident | 77.2 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 43% | 0.433 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 171.4 | -93.1 | -40.4 | 0 | 0 | 0 | 112.3 | L513 L733 A741 | L513-D737 VanDerWaalsContact CD2-OD1 3.27Å; L513-D737 WeakPolarHBondContact CD2-OD1 3.47Å; L733-D737 PolarHBondContact O-N 3.03Å; D737-A741 PolarHBondContact O-N 3.14Å; D737-A741 VanDerWaalsContact O-N 3.1Å |
| 738 | I | 76.6 | Confident | 76.8 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.2 | -43.6 | 175.4 | -67.2 | 165.8 | 0 | 0 | 0 | 111.3 | V734 H735 K736 A741 I742 | V734-I738 HydrophobicContact CG1-CD1 4.17Å; V734-I738 WeakPolarHBondContact O-CD1 3.33Å; V734-I738 WeakPolarHBondContact O-CG1 3.27Å; V734-I738 PolarHBondContact O-N 3.34Å; H735-I738 PolarHBondContact O-N 3.44Å; K736-I738 VanDerWaalsContact C-N 3.27Å; K736-I738 PolarHBondContact O-N 3.5Å; I738-A741 WeakPolarHBondContact O-CB 3.36Å; I738-A741 PolarHBondContact O-N 3.12Å; I738-I742 HydrophobicContact CG2-CD1 4.32Å; I738-I742 WeakPolarHBondContact O-CG1 3.33Å; I738-I742 PolarHBondContact O-N 3.36Å |
| 739 | E | 75.5 | Confident | 76.3 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 176.1 | -175.3 | 161.5 | -139 | 0 | 0 | 111.2 | H735 K736 A741 I742 H743 | H735-E739 PolarHBondContact O-N 3.38Å; H735-E739 VanDerWaalsContact O-N 3.13Å; K736-E739 WeakPolarHBondContact CD-OE2 3.38Å; K736-E739 WeakPolarHBondContact CE-OE2 3.32Å; K736-E739 IonicContact NZ-OE2 3.24Å; K736-E739 PolarHBondContact NZ-OE2 3.35Å; K736-E739 PolarHBondContact O-N 3.48Å; E739-A741 VanDerWaalsContact C-N 3.32Å; E739-A741 PolarHBondContact O-N 3.23Å; E739-I742 WeakPolarHBondContact O-CB 3Å; E739-I742 PolarHBondContact O-N 2.99Å; E739-H743 PolarHBondContact O-CD2 2.9Å; E739-H743 PolarHBondContact O-N 3.25Å |
| 740 | L | 74.1 | Confident | 75.8 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 174.9 | -75.3 | 169.6 | 0 | 0 | 0 | 113.4 | L506 Q510 L513 K736 I742 H743 R744 | L506-L740 HydrophobicContact CD1-CD2 3.71Å; Q510-L740 HydrophobicContact CB-CD2 4.4Å; Q510-L740 HydrophobicContact CG-CD1 4.4Å; Q510-L740 HydrophobicContact CG-CD2 3.56Å; L513-L740 HydrophobicContact CB-CD1 3.97Å; L513-L740 HydrophobicContact CD2-CD1 3.57Å; L513-L740 HydrophobicContact CG-CD1 4.23Å; K736-L740 WeakPolarHBondContact O-CB 3.28Å; K736-L740 WeakPolarHBondContact O-CG 3.33Å; K736-L740 PolarHBondContact O-N 2.97Å; L740-I742 VanDerWaalsContact C-N 3.31Å; L740-I742 PolarHBondContact O-N 3.41Å; L740-H743 PolarHBondContact O-N 3.36Å; L740-R744 WeakPolarHBondContact O-CB 3.39Å; L740-R744 VanDerWaalsContact O-CG 3.24Å; L740-R744 WeakPolarHBondContact O-CG 3.47Å; L740-R744 PolarHBondContact O-N 3.44Å |
| 741 | A | 73.2 | Confident | 75.2 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D737 I738 E739 V745 | D737-A741 PolarHBondContact O-N 3.14Å; D737-A741 VanDerWaalsContact O-N 3.1Å; I738-A741 WeakPolarHBondContact O-CB 3.36Å; I738-A741 PolarHBondContact O-N 3.12Å; E739-A741 VanDerWaalsContact C-N 3.32Å; E739-A741 PolarHBondContact O-N 3.23Å; A741-V745 WeakPolarHBondContact O-CG2 3.35Å; A741-V745 PolarHBondContact O-N 2.84Å |
| 742 | I | 76.3 | Confident | 74.9 | Confident | 77 Ų | 77 | 69 Ų | 69 | 40% | 0.395 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 176.9 | -65.5 | 165.9 | 0 | 0 | 0 | 110.7 | I738 E739 L740 R744 V745 R746 | I738-I742 HydrophobicContact CG2-CD1 4.32Å; I738-I742 WeakPolarHBondContact O-CG1 3.33Å; I738-I742 PolarHBondContact O-N 3.36Å; E739-I742 WeakPolarHBondContact O-CB 3Å; E739-I742 PolarHBondContact O-N 2.99Å; L740-I742 VanDerWaalsContact C-N 3.31Å; L740-I742 PolarHBondContact O-N 3.41Å; I742-R744 PolarHBondContact O-N 2.98Å; I742-V745 PolarHBondContact O-N 2.74Å; I742-V745 VanDerWaalsContact O-N 3.17Å; I742-R746 WeakPolarHBondContact O-CG 3.26Å; I742-R746 PolarHBondContact O-N 3.46Å; I742-R746 VanDerWaalsContact O-N 3.12Å |
| 743 | H | 73.9 | Confident | 74.3 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.5 | -82.6 | -94.7 | 0 | 0 | 0 | 112.2 | V502 R505 L506 E739 L740 V745 R746 L747 | V502-H743 PolarHBondContact O-ND1 3.16Å; R505-H743 WeakPolarHBondContact CB-CE1 3.47Å; L506-H743 HydrophobicContact CB-CB 4.19Å; L506-H743 HydrophobicContact CD1-CB 3.75Å; E739-H743 PolarHBondContact O-CD2 2.9Å; E739-H743 PolarHBondContact O-N 3.25Å; L740-H743 PolarHBondContact O-N 3.36Å; H743-V745 PolarHBondContact O-N 2.77Å; H743-R746 PolarHBondContact O-N 3.32Å; H743-L747 PolarHBondContact O-N 3.03Å |
| 744 | R | 75.6 | Confident | 73.8 | Confident | 115 Ų | 115 | 70.6 Ų | 70.6 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -20.7 | 175.6 | -71.7 | 170.8 | 177.1 | 167 | 0.2 | 114.2 | L506 L740 I742 R748 | L506-R744 HydrophobicContact CD1-CG 3.77Å; L740-R744 WeakPolarHBondContact O-CB 3.39Å; L740-R744 VanDerWaalsContact O-CG 3.24Å; L740-R744 WeakPolarHBondContact O-CG 3.47Å; L740-R744 PolarHBondContact O-N 3.44Å; I742-R744 PolarHBondContact O-N 2.98Å; R744-R748 PolarHBondContact O-NE 3.37Å; R744-R748 PolarHBondContact O-NH2 3.07Å |
| 745 | V | 74.9 | Confident | 73.4 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 35% | 0.352 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -82.5 | -44 | 172 | 170.8 | 0 | 0 | 0 | 0 | 111 | A741 I742 H743 L747 R748 N749 | A741-V745 WeakPolarHBondContact O-CG2 3.35Å; A741-V745 PolarHBondContact O-N 2.84Å; I742-V745 PolarHBondContact O-N 2.74Å; I742-V745 VanDerWaalsContact O-N 3.17Å; H743-V745 PolarHBondContact O-N 2.77Å; V745-L747 PolarHBondContact O-N 3.24Å; V745-R748 PolarHBondContact O-N 3.44Å; V745-N749 PolarHBondContact O-N 2.86Å |
| 746 | R | 72.1 | Confident | 73.1 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 177.4 | -67.6 | 174.4 | -172.7 | 172.4 | 0.8 | 111.9 | V502 I742 H743 R748 N749 L750 L1013 | V502-R746 HydrophobicContact CG1-CB 3.9Å; V502-R746 HydrophobicContact CG2-CB 4.36Å; I742-R746 WeakPolarHBondContact O-CG 3.26Å; I742-R746 PolarHBondContact O-N 3.46Å; I742-R746 VanDerWaalsContact O-N 3.12Å; H743-R746 PolarHBondContact O-N 3.32Å; R746-R748 PolarHBondContact O-N 3.21Å; R746-N749 PolarHBondContact O-N 2.75Å; R746-N749 VanDerWaalsContact O-N 3.12Å; R746-L750 PolarHBondContact O-N 3.06Å; R746-L750 VanDerWaalsContact O-N 3.14Å; R746-L1013 HydrophobicContact CG-CD2 3.93Å |
| 747 | L | 69.9 | Low | 72.7 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | -177.8 | -167.4 | 145.6 | 0 | 0 | 0 | 112.3 | V502 N503 L506 H743 V745 N749 L750 D751 | V502-L747 HydrophobicContact CG1-CB 4.07Å; N503-L747 HydrophobicContact CB-CD1 4.1Å; N503-L747 WeakPolarHBondContact OD1-CD1 3.17Å; L506-L747 HydrophobicContact CD2-CD1 4.09Å; H743-L747 PolarHBondContact O-N 3.03Å; V745-L747 PolarHBondContact O-N 3.24Å; L747-N749 VanDerWaalsContact C-N 3.3Å; L747-N749 PolarHBondContact O-N 3.25Å; L747-L750 PolarHBondContact O-N 2.96Å; L747-D751 WeakPolarHBondContact O-CB 3.47Å; L747-D751 PolarHBondContact O-N 3.12Å |
| 748 | R | 72.8 | Confident | 72.5 | Confident | 147 Ų | 147 | 72.7 Ų | 72.7 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.5 | -26.6 | 175.3 | -82.5 | -178.9 | -72.3 | 164.3 | -3.1 | 114.2 | R744 V745 R746 K752 | R744-R748 PolarHBondContact O-NE 3.37Å; R744-R748 PolarHBondContact O-NH2 3.07Å; V745-R748 PolarHBondContact O-N 3.44Å; R746-R748 PolarHBondContact O-N 3.21Å; R748-K752 WeakPolarHBondContact O-CG 3.4Å; R748-K752 PolarHBondContact O-N 2.71Å |
| 749 | N | 72.4 | Confident | 72.3 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 19% | 0.193 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -80.4 | -38.6 | 176.1 | -71.7 | -9.2 | 0 | 0 | 0 | 111.5 | V745 R746 L747 N753 | V745-N749 PolarHBondContact O-N 2.86Å; R746-N749 PolarHBondContact O-N 2.75Å; R746-N749 VanDerWaalsContact O-N 3.12Å; L747-N749 VanDerWaalsContact C-N 3.3Å; L747-N749 PolarHBondContact O-N 3.25Å; N749-N753 PolarHBondContact O-N 2.89Å; N749-N753 PolarHBondContact O-OD1 3.14Å |
| 750 | L | 70.4 | Confident | 72.1 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.2 | -76.4 | 156.3 | 0 | 0 | 0 | 111.8 | D495 N498 L499 V502 R746 L747 K752 N753 L754 | D495-L750 HydrophobicContact CB-CD2 4.42Å; N498-L750 HydrophobicContact CB-CD2 4.39Å; L499-L750 HydrophobicContact CB-CD1 4.39Å; L499-L750 HydrophobicContact CD1-CB 4.23Å; V502-L750 HydrophobicContact CG2-CD1 4.27Å; R746-L750 PolarHBondContact O-N 3.06Å; R746-L750 VanDerWaalsContact O-N 3.14Å; L747-L750 PolarHBondContact O-N 2.96Å; L750-K752 PolarHBondContact O-N 3.1Å; L750-N753 PolarHBondContact O-N 3.16Å; L750-L754 WeakPolarHBondContact O-CG 3.5Å; L750-L754 PolarHBondContact O-N 3.07Å |
| 751 | D | 69.3 | Low | 71.8 | Confident | 88 Ų | 88 | 76.2 Ų | 76.2 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.4 | 178.3 | 60.9 | 0 | 0 | 0 | 113.1 | L747 N753 L754 T755 | L747-D751 WeakPolarHBondContact O-CB 3.47Å; L747-D751 PolarHBondContact O-N 3.12Å; D751-N753 PolarHBondContact O-N 2.75Å; D751-L754 PolarHBondContact O-N 2.98Å; D751-T755 VanDerWaalsContact O-CB 3.28Å; D751-T755 WeakPolarHBondContact O-CB 3.02Å; D751-T755 PolarHBondContact O-N 2.69Å; D751-T755 PolarHBondContact O-OG1 2.8Å |
| 752 | K | 75 | Confident | 71.7 | Confident | 137 Ų | 137 | 77.2 Ų | 77.2 | 60% | 0.596 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.4 | -46.3 | 172.6 | -79.4 | 176.2 | 175.3 | -173.5 | 0 | 112.3 | R748 L750 T755 A756 | R748-K752 WeakPolarHBondContact O-CG 3.4Å; R748-K752 PolarHBondContact O-N 2.71Å; L750-K752 PolarHBondContact O-N 3.1Å; K752-T755 PolarHBondContact O-N 2.81Å; K752-A756 PolarHBondContact O-N 3.15Å |
| 753 | N | 69.8 | Low | 71.6 | Confident | 96 Ų | 96 | 77.7 Ų | 77.7 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | -178.3 | -69.8 | -2 | 0 | 0 | 0 | 111.5 | N749 L750 D751 T755 A756 L757 | N749-N753 PolarHBondContact O-N 2.89Å; N749-N753 PolarHBondContact O-OD1 3.14Å; L750-N753 PolarHBondContact O-N 3.16Å; D751-N753 PolarHBondContact O-N 2.75Å; N753-T755 VanDerWaalsContact C-N 3.34Å; N753-T755 PolarHBondContact O-N 3.34Å; N753-A756 PolarHBondContact O-N 3.44Å; N753-L757 PolarHBondContact O-N 2.88Å |
| 754 | L | 68.7 | Low | 71.6 | Confident | 42 Ų | 42 | 81.2 Ų | 81.2 | 22% | 0.22 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.5 | -68.8 | 171.3 | 0 | 0 | 0 | 112.1 | L499 L750 D751 L757 R758 | L499-L754 HydrophobicContact CD1-CD1 3.47Å; L499-L754 VanDerWaalsContact CD1-CD1 3.47Å; L750-L754 WeakPolarHBondContact O-CG 3.5Å; L750-L754 PolarHBondContact O-N 3.07Å; D751-L754 PolarHBondContact O-N 2.98Å; L754-L757 PolarHBondContact O-N 3.17Å; L754-R758 WeakPolarHBondContact O-CB 3.43Å; L754-R758 PolarHBondContact O-N 3.34Å |
| 755 | T | 71.5 | Confident | 71.5 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.5 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | D751 K752 N753 R758 N759 | D751-T755 VanDerWaalsContact O-CB 3.28Å; D751-T755 WeakPolarHBondContact O-CB 3.02Å; D751-T755 PolarHBondContact O-N 2.69Å; D751-T755 PolarHBondContact O-OG1 2.8Å; K752-T755 PolarHBondContact O-N 2.81Å; N753-T755 VanDerWaalsContact C-N 3.34Å; N753-T755 PolarHBondContact O-N 3.34Å; T755-R758 PolarHBondContact O-N 3Å; T755-N759 VanDerWaalsContact O-CG 3.23Å; T755-N759 PolarHBondContact O-N 3.32Å; T755-N759 PolarHBondContact O-ND2 3.44Å |
| 756 | A | 72.1 | Confident | 71.6 | Confident | 51 Ų | 51 | 79 Ų | 79 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K752 N753 N759 N760 | K752-A756 PolarHBondContact O-N 3.15Å; N753-A756 PolarHBondContact O-N 3.44Å; A756-N759 PolarHBondContact O-N 3.02Å; A756-N760 PolarHBondContact O-N 2.96Å |
| 757 | L | 69.5 | Low | 71.9 | Confident | 65 Ų | 65 | 81.9 Ų | 81.9 | 34% | 0.34 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.4 | -49 | 174.7 | -75.9 | 163.5 | 0 | 0 | 0 | 111.7 | N753 L754 N759 N760 S761 | N753-L757 PolarHBondContact O-N 2.88Å; L754-L757 PolarHBondContact O-N 3.17Å; L757-N759 VanDerWaalsContact C-N 3.32Å; L757-N759 PolarHBondContact O-N 3.07Å; L757-N760 PolarHBondContact O-N 2.71Å; L757-N760 VanDerWaalsContact O-N 3.13Å; L757-S761 PolarHBondContact O-N 2.67Å; L757-S761 VanDerWaalsContact O-N 3.08Å; L757-S761 PolarHBondContact O-OG 3.05Å |
| 758 | R | 69.7 | Low | 72.4 | Confident | 193 Ų | 193 | 80.9 Ų | 80.9 | 73% | 0.728 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.7 | -40 | -179.9 | -170.6 | 177.9 | -169.6 | 166 | 7.3 | 112.8 | L754 T755 S762 | L754-R758 WeakPolarHBondContact O-CB 3.43Å; L754-R758 PolarHBondContact O-N 3.34Å; T755-R758 PolarHBondContact O-N 3Å; R758-S762 WeakPolarHBondContact O-CB 3.44Å; R758-S762 PolarHBondContact O-N 3.13Å |
| 759 | N | 71.8 | Confident | 72.6 | Confident | 92 Ų | 92 | 77 Ų | 77 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 176.8 | -72.4 | -24.1 | 0 | 0 | 0 | 111.8 | T755 A756 L757 S762 N763 | T755-N759 VanDerWaalsContact O-CG 3.23Å; T755-N759 PolarHBondContact O-N 3.32Å; T755-N759 PolarHBondContact O-ND2 3.44Å; A756-N759 PolarHBondContact O-N 3.02Å; L757-N759 VanDerWaalsContact C-N 3.32Å; L757-N759 PolarHBondContact O-N 3.07Å; N759-S762 PolarHBondContact O-N 2.8Å; N759-N763 PolarHBondContact O-N 3.37Å; N759-N763 VanDerWaalsContact O-N 3.15Å; N759-N763 PolarHBondContact O-ND2 3.38Å; N759-N763 VanDerWaalsContact O-ND2 3.13Å |
| 760 | N | 71.9 | Confident | 73.1 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -51 | 176.7 | -70 | -12.6 | 0 | 0 | 0 | 111.5 | A756 L757 S762 N763 E764 | A756-N760 PolarHBondContact O-N 2.96Å; L757-N760 PolarHBondContact O-N 2.71Å; L757-N760 VanDerWaalsContact O-N 3.13Å; N760-S762 VanDerWaalsContact C-N 3.27Å; N760-S762 PolarHBondContact O-N 3.32Å; N760-N763 WeakPolarHBondContact O-CB 3.17Å; N760-N763 PolarHBondContact O-N 2.93Å; N760-E764 PolarHBondContact O-N 3.43Å; N760-E764 VanDerWaalsContact O-N 3.14Å |
| 761 | S | 67.4 | Low | 73.8 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 30% | 0.301 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 112.8 | L757 N763 E764 V765 | L757-S761 PolarHBondContact O-N 2.67Å; L757-S761 VanDerWaalsContact O-N 3.08Å; L757-S761 PolarHBondContact O-OG 3.05Å; S761-N763 VanDerWaalsContact C-N 3.31Å; S761-N763 PolarHBondContact O-N 2.92Å; S761-E764 PolarHBondContact O-N 2.68Å; S761-V765 WeakPolarHBondContact O-CG2 3.29Å; S761-V765 PolarHBondContact O-N 3.18Å; S761-V765 VanDerWaalsContact O-N 3.07Å |
| 762 | S | 70.7 | Confident | 74.5 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -32.6 | 174.8 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | R758 N759 N760 L766 | R758-S762 WeakPolarHBondContact O-CB 3.44Å; R758-S762 PolarHBondContact O-N 3.13Å; N759-S762 PolarHBondContact O-N 2.8Å; N760-S762 VanDerWaalsContact C-N 3.27Å; N760-S762 PolarHBondContact O-N 3.32Å; S762-L766 PolarHBondContact O-N 3.46Å |
| 763 | N | 74.2 | Confident | 74.9 | Confident | 87 Ų | 87 | 77.1 Ų | 77.1 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.5 | -39.2 | 176 | -72.3 | -38.1 | 0 | 0 | 0 | 111.6 | N759 N760 S761 L766 Q767 | N759-N763 PolarHBondContact O-N 3.37Å; N759-N763 VanDerWaalsContact O-N 3.15Å; N759-N763 PolarHBondContact O-ND2 3.38Å; N759-N763 VanDerWaalsContact O-ND2 3.13Å; N760-N763 WeakPolarHBondContact O-CB 3.17Å; N760-N763 PolarHBondContact O-N 2.93Å; S761-N763 VanDerWaalsContact C-N 3.31Å; S761-N763 PolarHBondContact O-N 2.92Å; N763-L766 PolarHBondContact O-N 2.99Å; N763-Q767 WeakPolarHBondContact O-CG 3.32Å; N763-Q767 PolarHBondContact O-N 3.14Å |
| 764 | E | 73.9 | Confident | 75.6 | Confident | 83 Ų | 83 | 79.6 Ų | 79.6 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.6 | -67.5 | 179 | 147.2 | 0 | 0 | 111.9 | N760 S761 L766 Q767 L768 Y938 | N760-E764 PolarHBondContact O-N 3.43Å; N760-E764 VanDerWaalsContact O-N 3.14Å; S761-E764 PolarHBondContact O-N 2.68Å; E764-L766 VanDerWaalsContact C-N 3.3Å; E764-L766 PolarHBondContact O-N 3.27Å; E764-Q767 PolarHBondContact O-N 2.97Å; E764-L768 WeakPolarHBondContact O-CG 3.35Å; E764-L768 PolarHBondContact O-N 2.75Å; E764-Y938 HydrophobicContact CB-CE1 4.23Å; E764-Y938 WeakPolarHBondContact OE2-CE1 3.38Å; E764-Y938 PolarHBondContact OE2-OH 3.06Å |
| 765 | V | 74.3 | Confident | 76.3 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | S761 L768 N769 L935 Y938 | S761-V765 WeakPolarHBondContact O-CG2 3.29Å; S761-V765 PolarHBondContact O-N 3.18Å; S761-V765 VanDerWaalsContact O-N 3.07Å; V765-L768 PolarHBondContact O-N 3.17Å; V765-N769 PolarHBondContact O-N 2.81Å; V765-N769 VanDerWaalsContact O-N 3.1Å; V765-N769 PolarHBondContact O-ND2 3.38Å; V765-L935 HydrophobicContact CG1-CD1 4.16Å; V765-Y938 HydrophobicContact CG2-CD1 4.1Å; V765-Y938 HydrophobicContact CG2-CG 4.12Å |
| 766 | L | 77.2 | Confident | 77 | Confident | 98 Ų | 98 | 76.8 Ų | 76.8 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.2 | -177.4 | 61.2 | 0 | 0 | 0 | 111.9 | S762 N763 E764 N770 | S762-L766 PolarHBondContact O-N 3.46Å; N763-L766 PolarHBondContact O-N 2.99Å; E764-L766 VanDerWaalsContact C-N 3.3Å; E764-L766 PolarHBondContact O-N 3.27Å; L766-N770 WeakPolarHBondContact O-CB 3.33Å; L766-N770 PolarHBondContact O-N 2.95Å; L766-N770 VanDerWaalsContact O-N 3.12Å; L766-N770 PolarHBondContact O-ND2 3.31Å; L766-N770 VanDerWaalsContact O-ND2 3.09Å |
| 767 | Q | 78.5 | Confident | 77.7 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 58% | 0.579 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 175.8 | -70.5 | 177.1 | 26.1 | 0 | 0 | 112.3 | N763 E764 N770 L771 | N763-Q767 WeakPolarHBondContact O-CG 3.32Å; N763-Q767 PolarHBondContact O-N 3.14Å; E764-Q767 PolarHBondContact O-N 2.97Å; Q767-N770 PolarHBondContact O-N 3.09Å; Q767-L771 WeakPolarHBondContact O-CG 3.38Å; Q767-L771 PolarHBondContact O-N 2.92Å; Q767-L771 VanDerWaalsContact O-N 3.13Å |
| 768 | L | 78.4 | Confident | 78.5 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 177.9 | -74 | 171 | 0 | 0 | 0 | 112.6 | E764 V765 L771 L772 L931 K934 Y938 | E764-L768 WeakPolarHBondContact O-CG 3.35Å; E764-L768 PolarHBondContact O-N 2.75Å; V765-L768 PolarHBondContact O-N 3.17Å; L768-L771 PolarHBondContact O-N 2.85Å; L768-L772 PolarHBondContact O-N 2.82Å; L768-L931 HydrophobicContact CD2-CD2 4.3Å; L768-K934 HydrophobicContact CD1-CB 4.45Å; L768-K934 HydrophobicContact CD2-CB 4.38Å; L768-K934 HydrophobicContact CD2-CD 4.4Å; L768-Y938 HydrophobicContact CD1-CD2 3.54Å; L768-Y938 HydrophobicContact CD1-CE2 3.61Å; L768-Y938 HydrophobicContact CD1-CG 4.43Å |
| 769 | N | 78.3 | Confident | 79.4 | Confident | 65 Ų | 65 | 71 Ų | 71 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.5 | -78.9 | -70.2 | 0 | 0 | 0 | 111.9 | V765 L771 L772 E773 L935 | V765-N769 PolarHBondContact O-N 2.81Å; V765-N769 VanDerWaalsContact O-N 3.1Å; V765-N769 PolarHBondContact O-ND2 3.38Å; N769-L771 PolarHBondContact O-N 3.14Å; N769-L772 PolarHBondContact O-N 3.47Å; N769-L772 VanDerWaalsContact O-N 3.14Å; N769-E773 PolarHBondContact O-N 3.48Å; N769-L935 WeakPolarHBondContact OD1-CD2 3.14Å |
| 770 | N | 82.5 | Confident | 80.1 | Confident | 65 Ų | 65 | 71 Ų | 71 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -21.3 | 177.1 | -69.5 | -28.7 | 0 | 0 | 0 | 113.6 | L766 Q767 R774 | L766-N770 WeakPolarHBondContact O-CB 3.33Å; L766-N770 PolarHBondContact O-N 2.95Å; L766-N770 VanDerWaalsContact O-N 3.12Å; L766-N770 PolarHBondContact O-ND2 3.31Å; L766-N770 VanDerWaalsContact O-ND2 3.09Å; Q767-N770 PolarHBondContact O-N 3.09Å; N770-R774 WeakPolarHBondContact O-CG 3.23Å; N770-R774 PolarHBondContact O-NH1 2.71Å |
| 771 | L | 85.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -84.9 | -39.3 | 172.5 | -71.6 | 169.5 | 0 | 0 | 0 | 111.7 | Q767 L768 N769 R774 N775 L931 | Q767-L771 WeakPolarHBondContact O-CG 3.38Å; Q767-L771 PolarHBondContact O-N 2.92Å; Q767-L771 VanDerWaalsContact O-N 3.13Å; L768-L771 PolarHBondContact O-N 2.85Å; N769-L771 PolarHBondContact O-N 3.14Å; L771-R774 PolarHBondContact O-N 3.4Å; L771-N775 PolarHBondContact O-N 3.2Å; L771-N775 VanDerWaalsContact O-N 3.16Å; L771-L931 HydrophobicContact CB-CD1 4.31Å; L771-L931 HydrophobicContact CB-CD2 4.26Å |
| 772 | L | 85.2 | Confident | 81.9 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.7 | -176.7 | 63.5 | 0 | 0 | 0 | 111.8 | L768 N769 T776 E928 L931 R932 L935 | L768-L772 PolarHBondContact O-N 2.82Å; N769-L772 PolarHBondContact O-N 3.47Å; N769-L772 VanDerWaalsContact O-N 3.14Å; L772-T776 WeakPolarHBondContact O-CB 3.49Å; L772-T776 PolarHBondContact O-N 3.19Å; L772-T776 PolarHBondContact O-OG1 2.85Å; L772-E928 HydrophobicContact CD1-CG 3.75Å; L772-L931 HydrophobicContact CD1-CB 4.03Å; L772-R932 HydrophobicContact CD1-CG 3.89Å; L772-R932 HydrophobicContact CD2-CG 4.09Å; L772-L935 HydrophobicContact CD2-CD2 4.07Å |
| 773 | E | 83.4 | Confident | 82.7 | Confident | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 176.6 | -174.3 | 178.7 | -166.9 | 0 | 0 | 112 | N769 T776 N777 | N769-E773 PolarHBondContact O-N 3.48Å; E773-T776 WeakPolarHBondContact O-CB 3.48Å; E773-T776 PolarHBondContact O-N 3.15Å; E773-N777 PolarHBondContact O-N 3.07Å; E773-N777 VanDerWaalsContact O-N 3.09Å; E773-N777 PolarHBondContact O-ND2 3.45Å |
| 774 | R | 84 | Confident | 83.5 | Confident | 148 Ų | 148 | 69.4 Ų | 69.4 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.9 | -51.2 | 177.7 | -73 | -179.9 | 179.9 | 99.6 | -8.2 | 112.2 | N770 L771 T776 N777 E778 | N770-R774 WeakPolarHBondContact O-CG 3.23Å; N770-R774 PolarHBondContact O-NH1 2.71Å; L771-R774 PolarHBondContact O-N 3.4Å; R774-T776 VanDerWaalsContact C-N 3.29Å; R774-T776 PolarHBondContact O-N 3.07Å; R774-N777 WeakPolarHBondContact O-CB 3.34Å; R774-N777 PolarHBondContact O-N 3.41Å; R774-N777 VanDerWaalsContact O-N 3.08Å; R774-E778 PolarHBondContact O-N 3.38Å |
| 775 | N | 83.5 | Confident | 84.2 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -36 | 178.3 | -175 | 13.8 | 0 | 0 | 0 | 111.9 | L771 N777 E778 I779 Q924 E928 L931 | L771-N775 PolarHBondContact O-N 3.2Å; L771-N775 VanDerWaalsContact O-N 3.16Å; N775-N777 VanDerWaalsContact C-N 3.27Å; N775-N777 PolarHBondContact O-N 3.21Å; N775-E778 PolarHBondContact O-N 2.81Å; N775-I779 WeakPolarHBondContact O-CB 3.39Å; N775-I779 VanDerWaalsContact O-CG1 3.27Å; N775-I779 WeakPolarHBondContact O-CG1 3.31Å; N775-I779 PolarHBondContact O-N 3.42Å; N775-Q924 PolarHBondContact ND2-O 3.46Å; N775-Q924 WeakPolarHBondContact OD1-CB 3.4Å; N775-Q924 PolarHBondContact OD1-O 2.96Å; N775-Q924 PolarHBondContact OD1-OE1 3.28Å; N775-E928 WeakPolarHBondContact ND2-CA 3.49Å; N775-E928 PolarHBondContact ND2-N 3.34Å; N775-L931 HydrophobicContact CB-CD1 4.43Å |
| 776 | T | 86 | Confident | 84.8 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 174.4 | -56 | 0 | 0 | 0 | 0 | 111.6 | L772 E773 R774 N780 | L772-T776 WeakPolarHBondContact O-CB 3.49Å; L772-T776 PolarHBondContact O-N 3.19Å; L772-T776 PolarHBondContact O-OG1 2.85Å; E773-T776 WeakPolarHBondContact O-CB 3.48Å; E773-T776 PolarHBondContact O-N 3.15Å; R774-T776 VanDerWaalsContact C-N 3.29Å; R774-T776 PolarHBondContact O-N 3.07Å; T776-N780 VanDerWaalsContact O-CG 3.25Å; T776-N780 PolarHBondContact O-N 2.91Å; T776-N780 PolarHBondContact O-ND2 2.91Å; T776-N780 VanDerWaalsContact O-ND2 3.09Å |
| 777 | N | 86.7 | Confident | 85.3 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.8 | -44.2 | 175.3 | -65 | -30.2 | 0 | 0 | 0 | 112 | E773 R774 N775 I779 N780 D781 | E773-N777 PolarHBondContact O-N 3.07Å; E773-N777 VanDerWaalsContact O-N 3.09Å; E773-N777 PolarHBondContact O-ND2 3.45Å; R774-N777 WeakPolarHBondContact O-CB 3.34Å; R774-N777 PolarHBondContact O-N 3.41Å; R774-N777 VanDerWaalsContact O-N 3.08Å; N775-N777 VanDerWaalsContact C-N 3.27Å; N775-N777 PolarHBondContact O-N 3.21Å; N777-I779 VanDerWaalsContact C-N 3.3Å; N777-I779 PolarHBondContact O-N 2.97Å; N777-N780 WeakPolarHBondContact O-CB 3.3Å; N777-N780 PolarHBondContact O-N 3.49Å; N777-D781 PolarHBondContact O-N 3.49Å |
| 778 | E | 86.7 | Confident | 85.7 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.9 | -41.1 | 175 | -70 | 167.2 | -146.6 | 0 | 0 | 111.9 | R774 N775 N780 D781 L782 Q924 | R774-E778 PolarHBondContact O-N 3.38Å; N775-E778 PolarHBondContact O-N 2.81Å; E778-N780 VanDerWaalsContact C-N 3.34Å; E778-N780 PolarHBondContact O-N 3.27Å; E778-D781 PolarHBondContact O-N 2.59Å; E778-L782 WeakPolarHBondContact O-CB 3.49Å; E778-L782 VanDerWaalsContact O-CG 3.26Å; E778-L782 WeakPolarHBondContact O-CG 3.27Å; E778-L782 PolarHBondContact O-N 2.98Å; E778-Q924 PolarHBondContact OE2-NE2 2.84Å |
| 779 | I | 87.4 | Confident | 86.1 | Confident | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.3 | -72.7 | 165.9 | 0 | 0 | 0 | 112.1 | N775 N777 S783 L921 Q924 K925 E928 | N775-I779 WeakPolarHBondContact O-CB 3.39Å; N775-I779 VanDerWaalsContact O-CG1 3.27Å; N775-I779 WeakPolarHBondContact O-CG1 3.31Å; N775-I779 PolarHBondContact O-N 3.42Å; N777-I779 VanDerWaalsContact C-N 3.3Å; N777-I779 PolarHBondContact O-N 2.97Å; I779-S783 WeakPolarHBondContact O-CB 3.11Å; I779-S783 PolarHBondContact O-N 2.83Å; I779-L921 HydrophobicContact CB-CD1 4.48Å; I779-L921 HydrophobicContact CG2-CD1 3.99Å; I779-L921 WeakPolarHBondContact O-CD1 3.46Å; I779-Q924 HydrophobicContact CD1-CB 4.32Å; I779-Q924 HydrophobicContact CG1-CB 3.68Å; I779-K925 HydrophobicContact CD1-CG 3.97Å; I779-K925 HydrophobicContact CG1-CG 4.2Å; I779-K925 HydrophobicContact CG2-CG 4.12Å; I779-E928 HydrophobicContact CD1-CB 3.8Å; I779-E928 HydrophobicContact CD1-CG 4.14Å |
| 780 | N | 86.9 | Confident | 86.4 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 178.7 | -69.6 | -32.4 | 0 | 0 | 0 | 111.4 | T776 N777 E778 S783 K784 | T776-N780 VanDerWaalsContact O-CG 3.25Å; T776-N780 PolarHBondContact O-N 2.91Å; T776-N780 PolarHBondContact O-ND2 2.91Å; T776-N780 VanDerWaalsContact O-ND2 3.09Å; N777-N780 WeakPolarHBondContact O-CB 3.3Å; N777-N780 PolarHBondContact O-N 3.49Å; E778-N780 VanDerWaalsContact C-N 3.34Å; E778-N780 PolarHBondContact O-N 3.27Å; N780-S783 PolarHBondContact O-N 3.49Å; N780-K784 PolarHBondContact O-N 2.81Å |
| 781 | D | 88.9 | Confident | 86.6 | Confident | 99 Ų | 99 | 73 Ų | 73 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 179.3 | -77.3 | -26.1 | 0 | 0 | 0 | 112.5 | N777 E778 K784 Q785 | N777-D781 PolarHBondContact O-N 3.49Å; E778-D781 PolarHBondContact O-N 2.59Å; D781-K784 PolarHBondContact O-N 2.79Å; D781-Q785 WeakPolarHBondContact O-CG 3.42Å; D781-Q785 PolarHBondContact O-N 3.44Å; D781-Q785 VanDerWaalsContact O-N 3.12Å; D781-Q785 PolarHBondContact O-NE2 2.8Å; D781-Q785 VanDerWaalsContact O-NE2 3.17Å |
| 782 | L | 89.2 | Confident | 86.8 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 173.2 | -71.2 | 168 | 0 | 0 | 0 | 111.8 | E778 Q785 L786 I917 E920 L921 Q924 | E778-L782 WeakPolarHBondContact O-CB 3.49Å; E778-L782 VanDerWaalsContact O-CG 3.26Å; E778-L782 WeakPolarHBondContact O-CG 3.27Å; E778-L782 PolarHBondContact O-N 2.98Å; L782-Q785 PolarHBondContact O-N 3.04Å; L782-L786 PolarHBondContact O-N 2.8Å; L782-I917 HydrophobicContact CB-CG2 4.42Å; L782-I917 HydrophobicContact CD2-CG2 3.84Å; L782-E920 HydrophobicContact CD1-CB 4.45Å; L782-E920 HydrophobicContact CD1-CG 3.94Å; L782-E920 HydrophobicContact CD2-CB 4.48Å; L782-E920 HydrophobicContact CD2-CG 4.21Å; L782-L921 HydrophobicContact CB-CB 4.47Å; L782-L921 HydrophobicContact CB-CD1 3.99Å; L782-Q924 HydrophobicContact CD1-CB 4.48Å; L782-Q924 HydrophobicContact CD1-CG 3.86Å |
| 783 | S | 87.3 | Confident | 86.8 | Confident | 42 Ų | 42 | 73 Ų | 73 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.8 | -160.6 | 0 | 0 | 0 | 0 | 111.7 | I779 N780 Q785 L786 D787 | I779-S783 WeakPolarHBondContact O-CB 3.11Å; I779-S783 PolarHBondContact O-N 2.83Å; N780-S783 PolarHBondContact O-N 3.49Å; S783-Q785 PolarHBondContact O-N 2.99Å; S783-L786 PolarHBondContact O-N 2.87Å; S783-D787 PolarHBondContact O-N 2.78Å |
| 784 | K | 89.4 | Confident | 86.9 | Confident | 117 Ų | 117 | 70 Ų | 70 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.2 | -178.8 | 175.9 | 175.5 | -70.4 | 0 | 112.3 | N780 D781 L786 D787 E788 | N780-K784 PolarHBondContact O-N 2.81Å; D781-K784 PolarHBondContact O-N 2.79Å; K784-L786 VanDerWaalsContact C-N 3.34Å; K784-L786 PolarHBondContact O-N 3.44Å; K784-D787 PolarHBondContact O-N 3.25Å; K784-E788 WeakPolarHBondContact CE-OE1 3.29Å; K784-E788 IonicContact NZ-OE1 2.79Å; K784-E788 PolarHBondContact NZ-OE1 3.11Å; K784-E788 WeakPolarHBondContact O-CG 3.45Å; K784-E788 PolarHBondContact O-N 3.04Å |
| 785 | Q | 88.7 | Confident | 87.1 | Confident | 88 Ų | 88 | 67.6 Ų | 67.6 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.1 | -74.5 | 171.6 | 75.1 | 0 | 0 | 112.2 | D781 L782 S783 E788 M789 I917 | D781-Q785 WeakPolarHBondContact O-CG 3.42Å; D781-Q785 PolarHBondContact O-N 3.44Å; D781-Q785 VanDerWaalsContact O-N 3.12Å; D781-Q785 PolarHBondContact O-NE2 2.8Å; D781-Q785 VanDerWaalsContact O-NE2 3.17Å; L782-Q785 PolarHBondContact O-N 3.04Å; S783-Q785 PolarHBondContact O-N 2.99Å; Q785-E788 PolarHBondContact O-N 3.44Å; Q785-M789 WeakPolarHBondContact O-CB 3.45Å; Q785-M789 WeakPolarHBondContact O-CG 3.43Å; Q785-M789 PolarHBondContact O-N 3.14Å; Q785-I917 HydrophobicContact CB-CD1 4.3Å |
| 786 | L | 87.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 177.1 | -73.6 | 162.2 | 0 | 0 | 0 | 112.6 | L782 S783 K784 R790 Y914 I917 Y918 L921 | L782-L786 PolarHBondContact O-N 2.8Å; S783-L786 PolarHBondContact O-N 2.87Å; K784-L786 VanDerWaalsContact C-N 3.34Å; K784-L786 PolarHBondContact O-N 3.44Å; L786-R790 WeakPolarHBondContact O-CB 3.49Å; L786-R790 PolarHBondContact O-N 3.36Å; L786-Y914 HydrophobicContact CB-CE2 4.08Å; L786-Y914 HydrophobicContact CD2-CD1 4.34Å; L786-Y914 HydrophobicContact CD2-CD2 3.48Å; L786-Y914 VanDerWaalsContact CD2-CD2 3.48Å; L786-Y914 HydrophobicContact CD2-CE1 4.4Å; L786-Y914 HydrophobicContact CD2-CE2 3.57Å; L786-Y914 HydrophobicContact CD2-CG 3.89Å; L786-Y914 WeakPolarHBondContact CD2-O 3.49Å; L786-Y914 HydrophobicContact CG-CE2 4.44Å; L786-I917 HydrophobicContact CD1-CG2 4.1Å; L786-I917 HydrophobicContact CD2-CB 3.92Å; L786-I917 HydrophobicContact CD2-CG2 4Å; L786-I917 HydrophobicContact CG-CB 4.21Å; L786-I917 HydrophobicContact CG-CG2 3.7Å; L786-Y918 HydrophobicContact CD1-CD2 4.33Å; L786-L921 HydrophobicContact CD1-CB 4.26Å; L786-L921 HydrophobicContact CD1-CD2 3.6Å |
| 787 | D | 86.5 | Confident | 87.3 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 176.2 | -73.7 | -39 | 0 | 0 | 0 | 111.9 | S783 K784 R790 N791 | S783-D787 PolarHBondContact O-N 2.78Å; K784-D787 PolarHBondContact O-N 3.25Å; D787-R790 PolarHBondContact O-N 3.37Å; D787-N791 PolarHBondContact O-N 3.08Å; D787-N791 PolarHBondContact O-ND2 3.46Å |
| 788 | E | 88.4 | Confident | 87.4 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 173.4 | -74.7 | 175.3 | -171.3 | 0 | 0 | 111.9 | K784 Q785 N791 H792 | K784-E788 WeakPolarHBondContact CE-OE1 3.29Å; K784-E788 IonicContact NZ-OE1 2.79Å; K784-E788 PolarHBondContact NZ-OE1 3.11Å; K784-E788 WeakPolarHBondContact O-CG 3.45Å; K784-E788 PolarHBondContact O-N 3.04Å; Q785-E788 PolarHBondContact O-N 3.44Å; E788-N791 PolarHBondContact O-N 2.74Å; E788-H792 PolarHBondContact O-N 3.05Å; E788-H792 VanDerWaalsContact O-N 3.11Å |
| 789 | M | 85.8 | Confident | 87.4 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.8 | -74.8 | -167 | 79 | 0 | 0 | 112.9 | Q785 N791 H792 C793 L910 Q913 Y914 I917 | Q785-M789 WeakPolarHBondContact O-CB 3.45Å; Q785-M789 WeakPolarHBondContact O-CG 3.43Å; Q785-M789 PolarHBondContact O-N 3.14Å; M789-N791 VanDerWaalsContact C-N 3.35Å; M789-N791 PolarHBondContact O-N 2.95Å; M789-H792 WeakPolarHBondContact O-CB 3.26Å; M789-H792 PolarHBondContact O-N 3.02Å; M789-H792 VanDerWaalsContact O-N 3.14Å; M789-C793 PolarHBondContact O-N 3.28Å; M789-L910 HydrophobicContact CE-CB 4.39Å; M789-L910 HydrophobicContact CE-CD2 3.99Å; M789-L910 WeakPolarHBondContact CE-O 2.9Å; M789-Q913 HydrophobicContact CE-CB 3.47Å; M789-Q913 VanDerWaalsContact CE-CB 3.47Å; M789-Q913 HydrophobicContact SD-CB 4.33Å; M789-Y914 HydrophobicContact CB-CD2 4.37Å; M789-I917 HydrophobicContact SD-CD1 3.78Å |
| 790 | R | 85.1 | Confident | 87.5 | Confident | 150 Ų | 150 | 70.1 Ų | 70.1 | 57% | 0.566 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 179.5 | -175.5 | 178.6 | -175.1 | 179.5 | 2.7 | 111.4 | L786 D787 H792 C793 T794 Y914 | L786-R790 WeakPolarHBondContact O-CB 3.49Å; L786-R790 PolarHBondContact O-N 3.36Å; D787-R790 PolarHBondContact O-N 3.37Å; R790-H792 VanDerWaalsContact C-N 3.31Å; R790-H792 PolarHBondContact O-N 3.12Å; R790-C793 PolarHBondContact O-N 3.11Å; R790-T794 PolarHBondContact O-N 2.96Å; R790-T794 VanDerWaalsContact O-N 3.12Å; R790-T794 PolarHBondContact O-OG1 3.27Å; R790-Y914 HydrophobicContact CB-CE2 4.26Å |
| 791 | N | 87.1 | Confident | 87.5 | Confident | 104 Ų | 104 | 70.8 Ų | 70.8 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.1 | -41.6 | 174.1 | -72.9 | -48.9 | 0 | 0 | 0 | 111.6 | D787 E788 M789 T794 I795 | D787-N791 PolarHBondContact O-N 3.08Å; D787-N791 PolarHBondContact O-ND2 3.46Å; E788-N791 PolarHBondContact O-N 2.74Å; M789-N791 VanDerWaalsContact C-N 3.35Å; M789-N791 PolarHBondContact O-N 2.95Å; N791-T794 PolarHBondContact O-N 3.36Å; N791-I795 WeakPolarHBondContact O-CG1 3.43Å; N791-I795 PolarHBondContact O-N 2.75Å; N791-I795 VanDerWaalsContact O-N 3.08Å |
| 792 | H | 87.8 | Confident | 87.6 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 178 | -167.4 | -111.8 | 0 | 0 | 0 | 112.7 | E788 M789 R790 I795 I796 L910 | E788-H792 PolarHBondContact O-N 3.05Å; E788-H792 VanDerWaalsContact O-N 3.11Å; M789-H792 WeakPolarHBondContact O-CB 3.26Å; M789-H792 PolarHBondContact O-N 3.02Å; M789-H792 VanDerWaalsContact O-N 3.14Å; R790-H792 VanDerWaalsContact C-N 3.31Å; R790-H792 PolarHBondContact O-N 3.12Å; H792-I795 PolarHBondContact O-N 2.81Å; H792-I796 WeakPolarHBondContact O-CG1 3.5Å; H792-I796 PolarHBondContact O-N 2.56Å; H792-L910 VanDerWaalsContact ND1-CD1 3.31Å; H792-L910 WeakPolarHBondContact ND1-CD1 3.48Å |
| 793 | C | 85.3 | Confident | 87.5 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.2 | -50 | 173.4 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | M789 R790 I795 I796 E797 | M789-C793 PolarHBondContact O-N 3.28Å; R790-C793 PolarHBondContact O-N 3.11Å; C793-I795 VanDerWaalsContact C-N 3.28Å; C793-I795 PolarHBondContact O-N 3.41Å; C793-I796 PolarHBondContact O-N 3.37Å; C793-E797 WeakPolarHBondContact O-CG 3.25Å; C793-E797 PolarHBondContact O-N 2.72Å |
| 794 | T | 85.6 | Confident | 87.6 | Confident | 57 Ų | 57 | 71.4 Ų | 71.4 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -33.5 | -179.5 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | R790 N791 E797 Q798 | R790-T794 PolarHBondContact O-N 2.96Å; R790-T794 VanDerWaalsContact O-N 3.12Å; R790-T794 PolarHBondContact O-OG1 3.27Å; N791-T794 PolarHBondContact O-N 3.36Å; T794-E797 WeakPolarHBondContact CA-OE2 3.4Å; T794-Q798 VanDerWaalsContact O-CG 3.26Å; T794-Q798 WeakPolarHBondContact O-CG 3.44Å; T794-Q798 PolarHBondContact O-N 3.05Å; T794-Q798 VanDerWaalsContact O-N 3.16Å |
| 795 | I | 88.2 | Confident | 87.6 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 51% | 0.508 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 172.7 | -69.1 | 164.3 | 0 | 0 | 0 | 110.8 | N791 H792 C793 Q798 T799 | N791-I795 WeakPolarHBondContact O-CG1 3.43Å; N791-I795 PolarHBondContact O-N 2.75Å; N791-I795 VanDerWaalsContact O-N 3.08Å; H792-I795 PolarHBondContact O-N 2.81Å; C793-I795 VanDerWaalsContact C-N 3.28Å; C793-I795 PolarHBondContact O-N 3.41Å; I795-Q798 PolarHBondContact O-N 3.42Å; I795-T799 WeakPolarHBondContact O-CG2 3.26Å; I795-T799 PolarHBondContact O-N 3.36Å; I795-T799 VanDerWaalsContact O-N 3.17Å |
| 796 | I | 87.4 | Confident | 87.7 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | -179.8 | -58 | 161.7 | 0 | 0 | 0 | 110.5 | H792 C793 Q798 T799 N800 R903 L906 I907 L910 | H792-I796 WeakPolarHBondContact O-CG1 3.5Å; H792-I796 PolarHBondContact O-N 2.56Å; C793-I796 PolarHBondContact O-N 3.37Å; I796-Q798 VanDerWaalsContact C-N 3.32Å; I796-Q798 PolarHBondContact O-N 2.75Å; I796-T799 PolarHBondContact O-N 2.93Å; I796-T799 PolarHBondContact O-OG1 2.88Å; I796-N800 PolarHBondContact O-N 3.15Å; I796-R903 HydrophobicContact CG2-CB 4.19Å; I796-L906 HydrophobicContact CD1-CD2 3.75Å; I796-L906 HydrophobicContact CD1-CG 3.99Å; I796-I907 HydrophobicContact CB-CD1 4.36Å; I796-I907 HydrophobicContact CB-CG1 4.11Å; I796-I907 HydrophobicContact CG2-CD1 3.86Å; I796-I907 HydrophobicContact CG2-CG1 3.72Å; I796-L910 HydrophobicContact CD1-CD1 3.41Å; I796-L910 VanDerWaalsContact CD1-CD1 3.41Å |
| 797 | E | 86.8 | Confident | 87.8 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.3 | -46 | 175.2 | -71.4 | 172.7 | 152.7 | 0 | 0 | 112.2 | C793 T794 T799 N800 N801 I907 | C793-E797 WeakPolarHBondContact O-CG 3.25Å; C793-E797 PolarHBondContact O-N 2.72Å; T794-E797 WeakPolarHBondContact CA-OE2 3.4Å; E797-T799 PolarHBondContact O-N 3.45Å; E797-N800 PolarHBondContact O-N 2.78Å; E797-N801 VanDerWaalsContact O-CG 3.31Å; E797-N801 PolarHBondContact O-N 3.31Å; E797-N801 PolarHBondContact O-ND2 2.96Å; E797-I907 HydrophobicContact CG-CD1 4.01Å |
| 798 | Q | 88.5 | Confident | 87.9 | Confident | 119 Ų | 119 | 71.6 Ų | 71.6 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 175.8 | -71.1 | 171.1 | 14.5 | 0 | 0 | 112.3 | T794 I795 I796 T802 | T794-Q798 VanDerWaalsContact O-CG 3.26Å; T794-Q798 WeakPolarHBondContact O-CG 3.44Å; T794-Q798 PolarHBondContact O-N 3.05Å; T794-Q798 VanDerWaalsContact O-N 3.16Å; I795-Q798 PolarHBondContact O-N 3.42Å; I796-Q798 VanDerWaalsContact C-N 3.32Å; I796-Q798 PolarHBondContact O-N 2.75Å; Q798-T802 PolarHBondContact O-N 2.8Å; Q798-T802 PolarHBondContact O-OG1 3.05Å |
| 799 | T | 88.2 | Confident | 88 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.2 | -33.3 | 175.9 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | I795 I796 E797 T802 L803 | I795-T799 WeakPolarHBondContact O-CG2 3.26Å; I795-T799 PolarHBondContact O-N 3.36Å; I795-T799 VanDerWaalsContact O-N 3.17Å; I796-T799 PolarHBondContact O-N 2.93Å; I796-T799 PolarHBondContact O-OG1 2.88Å; E797-T799 PolarHBondContact O-N 3.45Å; T799-T802 PolarHBondContact O-N 3.35Å; T799-L803 WeakPolarHBondContact O-CB 3.32Å; T799-L803 PolarHBondContact O-N 3.01Å |
| 800 | N | 88.9 | Confident | 88.2 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.032 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.8 | -39.6 | 178.2 | -75.4 | 5.5 | 0 | 0 | 0 | 111.5 | I796 E797 T802 L803 T804 L900 R903 N904 I907 | I796-N800 PolarHBondContact O-N 3.15Å; E797-N800 PolarHBondContact O-N 2.78Å; N800-T802 VanDerWaalsContact C-N 3.31Å; N800-T802 PolarHBondContact O-N 3.4Å; N800-L803 PolarHBondContact O-N 2.93Å; N800-T804 WeakPolarHBondContact O-CB 3.2Å; N800-T804 PolarHBondContact O-N 3.46Å; N800-T804 PolarHBondContact O-OG1 3.39Å; N800-L900 HydrophobicContact CB-CD1 3.77Å; N800-R903 WeakPolarHBondContact ND2-CB 3.43Å; N800-R903 WeakPolarHBondContact OD1-CB 3.4Å; N800-R903 WeakPolarHBondContact OD1-CD 3.23Å; N800-N904 PolarHBondContact ND2-OD1 2.97Å; N800-I907 WeakPolarHBondContact ND2-CD1 3.12Å |
| 801 | N | 87.6 | Confident | 88.4 | Confident | 106 Ų | 106 | 66.7 Ų | 66.7 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.2 | -44 | 171 | -71.4 | -29.8 | 0 | 0 | 0 | 111.3 | E797 T804 L805 | E797-N801 VanDerWaalsContact O-CG 3.31Å; E797-N801 PolarHBondContact O-N 3.31Å; E797-N801 PolarHBondContact O-ND2 2.96Å; N801-T804 PolarHBondContact O-N 3.28Å; N801-L805 WeakPolarHBondContact O-CG 3.31Å; N801-L805 PolarHBondContact O-N 3Å; N801-L805 VanDerWaalsContact O-N 3.1Å |
| 802 | T | 89 | Confident | 88.5 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | Q798 T799 N800 R806 | Q798-T802 PolarHBondContact O-N 2.8Å; Q798-T802 PolarHBondContact O-OG1 3.05Å; T799-T802 PolarHBondContact O-N 3.35Å; N800-T802 VanDerWaalsContact C-N 3.31Å; N800-T802 PolarHBondContact O-N 3.4Å; T802-R806 PolarHBondContact O-N 3.13Å |
| 803 | L | 89 | Confident | 88.6 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 177.1 | -175.1 | 62.4 | 0 | 0 | 0 | 112.1 | T799 N800 R806 I807 Y896 D899 L900 | T799-L803 WeakPolarHBondContact O-CB 3.32Å; T799-L803 PolarHBondContact O-N 3.01Å; N800-L803 PolarHBondContact O-N 2.93Å; L803-R806 WeakPolarHBondContact O-CB 3.45Å; L803-R806 PolarHBondContact O-N 3.13Å; L803-R806 VanDerWaalsContact O-N 3.13Å; L803-I807 HydrophobicContact CG-CD1 4.28Å; L803-I807 WeakPolarHBondContact O-CG1 3.37Å; L803-I807 PolarHBondContact O-N 3.05Å; L803-Y896 HydrophobicContact CD1-CD1 4.2Å; L803-Y896 HydrophobicContact CD1-CD2 4.13Å; L803-Y896 HydrophobicContact CD1-CG 3.87Å; L803-D899 HydrophobicContact CD2-CB 4.01Å; L803-L900 HydrophobicContact CD2-CB 3.87Å; L803-L900 HydrophobicContact CD2-CD1 4.32Å |
| 804 | T | 88 | Confident | 88.8 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | N800 N801 R806 I807 E808 | N800-T804 WeakPolarHBondContact O-CB 3.2Å; N800-T804 PolarHBondContact O-N 3.46Å; N800-T804 PolarHBondContact O-OG1 3.39Å; N801-T804 PolarHBondContact O-N 3.28Å; T804-R806 PolarHBondContact O-N 3.2Å; T804-I807 WeakPolarHBondContact O-CB 3.49Å; T804-I807 PolarHBondContact O-N 3.46Å; T804-I807 VanDerWaalsContact O-N 3.14Å; T804-E808 PolarHBondContact O-N 3.48Å |
| 805 | L | 90 | Very high | 88.9 | Confident | 103 Ų | 103 | 70 Ų | 70 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -34.6 | 173.1 | -70.1 | 170 | 0 | 0 | 0 | 112.4 | N801 Q809 | N801-L805 WeakPolarHBondContact O-CG 3.31Å; N801-L805 PolarHBondContact O-N 3Å; N801-L805 VanDerWaalsContact O-N 3.1Å; L805-Q809 WeakPolarHBondContact O-CG 3.49Å; L805-Q809 PolarHBondContact O-N 3.18Å |
| 806 | R | 90.7 | Very high | 88.9 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72 | -36.1 | 176.3 | -173.3 | 58.3 | -179.7 | 157 | 6.7 | 112.7 | T802 L803 T804 Q809 L810 Y896 | T802-R806 PolarHBondContact O-N 3.13Å; L803-R806 WeakPolarHBondContact O-CB 3.45Å; L803-R806 PolarHBondContact O-N 3.13Å; L803-R806 VanDerWaalsContact O-N 3.13Å; T804-R806 PolarHBondContact O-N 3.2Å; R806-Q809 VanDerWaalsContact CD-OE1 3.32Å; R806-Q809 PolarHBondContact O-N 3.43Å; R806-L810 WeakPolarHBondContact O-CG 3.41Å; R806-L810 PolarHBondContact O-N 3.15Å; R806-L810 VanDerWaalsContact O-N 3.16Å; R806-Y896 HydrophobicContact CG-CD2 4.23Å; R806-Y896 HydrophobicContact CG-CE2 3.81Å |
| 807 | I | 89.7 | Confident | 88.8 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 173.4 | -69.7 | 163.6 | 0 | 0 | 0 | 110.3 | L803 T804 Q809 L810 Q811 I893 Y896 L900 | L803-I807 HydrophobicContact CG-CD1 4.28Å; L803-I807 WeakPolarHBondContact O-CG1 3.37Å; L803-I807 PolarHBondContact O-N 3.05Å; T804-I807 WeakPolarHBondContact O-CB 3.49Å; T804-I807 PolarHBondContact O-N 3.46Å; T804-I807 VanDerWaalsContact O-N 3.14Å; I807-Q809 VanDerWaalsContact C-N 3.33Å; I807-Q809 PolarHBondContact O-N 3.49Å; I807-L810 PolarHBondContact O-N 3.1Å; I807-Q811 HydrophobicContact CG2-CG 4.41Å; I807-Q811 VanDerWaalsContact O-CG 3.29Å; I807-Q811 WeakPolarHBondContact O-CG 3.47Å; I807-Q811 PolarHBondContact O-N 3.14Å; I807-I893 HydrophobicContact CG2-CG2 4.44Å; I807-Y896 HydrophobicContact CG1-CD2 4.45Å; I807-L900 HydrophobicContact CD1-CB 4.35Å; I807-L900 HydrophobicContact CD1-CD2 3.91Å |
| 808 | E | 89.1 | Confident | 88.7 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -40 | 175.8 | -74.3 | -169.7 | -155.6 | 0 | 0 | 113.3 | T804 Q811 K812 | T804-E808 PolarHBondContact O-N 3.48Å; E808-Q811 PolarHBondContact O-N 3.28Å; E808-K812 WeakPolarHBondContact O-CD 3.41Å; E808-K812 VanDerWaalsContact O-CG 3.28Å; E808-K812 WeakPolarHBondContact O-CG 3.42Å; E808-K812 PolarHBondContact O-N 2.68Å; E808-K812 IonicContact OE2-NZ 2.73Å; E808-K812 PolarHBondContact OE2-NZ 2.93Å |
| 809 | Q | 90 | Very high | 88.6 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 176.7 | -74 | 170 | 8.7 | 0 | 0 | 111.1 | L805 R806 I807 Q811 K812 E813 | L805-Q809 WeakPolarHBondContact O-CG 3.49Å; L805-Q809 PolarHBondContact O-N 3.18Å; R806-Q809 VanDerWaalsContact CD-OE1 3.32Å; R806-Q809 PolarHBondContact O-N 3.43Å; I807-Q809 VanDerWaalsContact C-N 3.33Å; I807-Q809 PolarHBondContact O-N 3.49Å; Q809-Q811 VanDerWaalsContact C-N 3.34Å; Q809-Q811 PolarHBondContact O-N 2.94Å; Q809-K812 PolarHBondContact O-N 3.38Å; Q809-E813 PolarHBondContact O-N 3.23Å |
| 810 | L | 90.7 | Very high | 88.5 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67 | -34.2 | 179.8 | -68.7 | 173.1 | 0 | 0 | 0 | 112.3 | R806 I807 E813 K814 L889 T892 I893 Y896 | R806-L810 WeakPolarHBondContact O-CG 3.41Å; R806-L810 PolarHBondContact O-N 3.15Å; R806-L810 VanDerWaalsContact O-N 3.16Å; I807-L810 PolarHBondContact O-N 3.1Å; L810-E813 PolarHBondContact O-N 2.9Å; L810-K814 WeakPolarHBondContact O-CB 3.41Å; L810-K814 PolarHBondContact O-N 2.76Å; L810-L889 HydrophobicContact CD2-CD2 4.08Å; L810-T892 HydrophobicContact CD1-CG2 3.92Å; L810-I893 HydrophobicContact CB-CD1 4.06Å; L810-I893 HydrophobicContact CB-CG1 3.65Å; L810-I893 HydrophobicContact CD1-CG1 4.49Å; L810-Y896 HydrophobicContact CD1-CD2 3.72Å; L810-Y896 HydrophobicContact CD1-CE2 3.64Å |
| 811 | Q | 88.8 | Confident | 88.2 | Confident | 69 Ų | 69 | 73.1 Ų | 73.1 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.2 | -48.8 | 171.9 | -73.6 | 169.3 | -7.1 | 0 | 0 | 111.3 | I807 E808 Q809 E813 K814 D815 I893 | I807-Q811 HydrophobicContact CG2-CG 4.41Å; I807-Q811 VanDerWaalsContact O-CG 3.29Å; I807-Q811 WeakPolarHBondContact O-CG 3.47Å; I807-Q811 PolarHBondContact O-N 3.14Å; E808-Q811 PolarHBondContact O-N 3.28Å; Q809-Q811 VanDerWaalsContact C-N 3.34Å; Q809-Q811 PolarHBondContact O-N 2.94Å; Q811-E813 VanDerWaalsContact C-N 3.28Å; Q811-E813 PolarHBondContact O-N 2.94Å; Q811-K814 PolarHBondContact O-N 3.27Å; Q811-D815 WeakPolarHBondContact O-CB 3.19Å; Q811-D815 VanDerWaalsContact O-CG 3.29Å; Q811-D815 PolarHBondContact O-N 3.43Å; Q811-I893 HydrophobicContact CG-CD1 4.09Å; Q811-I893 HydrophobicContact CG-CG2 4.25Å |
| 812 | K | 90.3 | Very high | 87.8 | Confident | 119 Ų | 119 | 71.6 Ų | 71.6 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 175.5 | -70.1 | 159.4 | -170.3 | 158 | 0 | 111.5 | E808 Q809 I816 | E808-K812 WeakPolarHBondContact O-CD 3.41Å; E808-K812 VanDerWaalsContact O-CG 3.28Å; E808-K812 WeakPolarHBondContact O-CG 3.42Å; E808-K812 PolarHBondContact O-N 2.68Å; E808-K812 IonicContact OE2-NZ 2.73Å; E808-K812 PolarHBondContact OE2-NZ 2.93Å; Q809-K812 PolarHBondContact O-N 3.38Å; K812-I816 WeakPolarHBondContact O-CD1 3.31Å; K812-I816 VanDerWaalsContact O-CG1 3.25Å; K812-I816 WeakPolarHBondContact O-CG1 3.49Å; K812-I816 PolarHBondContact O-N 3.02Å |
| 813 | E | 89.2 | Confident | 87.5 | Confident | 83 Ų | 83 | 69.9 Ų | 69.9 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 175 | -173 | 174.1 | -176.9 | 0 | 0 | 112.4 | Q809 L810 Q811 D815 I816 Q817 L889 | Q809-E813 PolarHBondContact O-N 3.23Å; L810-E813 PolarHBondContact O-N 2.9Å; Q811-E813 VanDerWaalsContact C-N 3.28Å; Q811-E813 PolarHBondContact O-N 2.94Å; E813-D815 VanDerWaalsContact C-N 3.31Å; E813-D815 PolarHBondContact O-N 2.64Å; E813-I816 WeakPolarHBondContact O-CB 3.4Å; E813-I816 PolarHBondContact O-N 3.07Å; E813-I816 VanDerWaalsContact O-N 3.1Å; E813-Q817 WeakPolarHBondContact O-CG 3.14Å; E813-Q817 PolarHBondContact O-N 3.27Å; E813-L889 HydrophobicContact CG-CD1 4.14Å; E813-L889 HydrophobicContact CG-CD2 4.4Å |
| 814 | K | 89.8 | Confident | 87.1 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 26% | 0.261 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 176.1 | 173.5 | -116.4 | 159.7 | -150 | 0 | 111.9 | L810 Q811 I816 Q817 Q818 I886 L889 I893 | L810-K814 WeakPolarHBondContact O-CB 3.41Å; L810-K814 PolarHBondContact O-N 2.76Å; Q811-K814 PolarHBondContact O-N 3.27Å; K814-I816 VanDerWaalsContact C-N 3.35Å; K814-Q817 PolarHBondContact O-N 2.92Å; K814-Q818 PolarHBondContact O-N 3.17Å; K814-I886 HydrophobicContact CG-CG2 4.33Å; K814-L889 HydrophobicContact CB-CB 4.1Å; K814-L889 HydrophobicContact CB-CD1 4.2Å; K814-L889 HydrophobicContact CG-CB 4.45Å; K814-I893 HydrophobicContact CB-CD1 4.08Å; K814-I893 HydrophobicContact CD-CD1 4.38Å; K814-I893 HydrophobicContact CG-CD1 4.46Å |
| 815 | D | 87.8 | Confident | 86.6 | Confident | 73 Ų | 73 | 71 Ų | 71 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76.3 | -19.7 | 177.2 | -64.2 | -18.6 | 0 | 0 | 0 | 113.1 | Q811 E813 R819 | Q811-D815 WeakPolarHBondContact O-CB 3.19Å; Q811-D815 VanDerWaalsContact O-CG 3.29Å; Q811-D815 PolarHBondContact O-N 3.43Å; E813-D815 VanDerWaalsContact C-N 3.31Å; E813-D815 PolarHBondContact O-N 2.64Å; D815-R819 WeakPolarHBondContact O-CG 3.31Å; D815-R819 PolarHBondContact O-N 2.68Å; D815-R819 PolarHBondContact O-NE 3.44Å; D815-R819 PolarHBondContact O-NH2 3.27Å |
| 816 | I | 88.3 | Confident | 86 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 42% | 0.415 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.2 | -48.4 | 163.7 | -71.2 | 162 | 0 | 0 | 0 | 109.8 | K812 E813 K814 Q818 R819 N820 | K812-I816 WeakPolarHBondContact O-CD1 3.31Å; K812-I816 VanDerWaalsContact O-CG1 3.25Å; K812-I816 WeakPolarHBondContact O-CG1 3.49Å; K812-I816 PolarHBondContact O-N 3.02Å; E813-I816 WeakPolarHBondContact O-CB 3.4Å; E813-I816 PolarHBondContact O-N 3.07Å; E813-I816 VanDerWaalsContact O-N 3.1Å; K814-I816 VanDerWaalsContact C-N 3.35Å; I816-Q818 VanDerWaalsContact C-N 3.35Å; I816-Q818 PolarHBondContact O-N 2.92Å; I816-R819 PolarHBondContact O-N 3.16Å; I816-N820 PolarHBondContact O-N 3.42Å; I816-N820 PolarHBondContact O-ND2 3.08Å |
| 817 | Q | 85.1 | Confident | 85.4 | Confident | 64 Ų | 64 | 74.6 Ų | 74.6 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | -179.2 | -62.5 | -62.2 | 9.9 | 0 | 0 | 112.9 | E813 K814 N820 L821 I886 L889 | E813-Q817 WeakPolarHBondContact O-CG 3.14Å; E813-Q817 PolarHBondContact O-N 3.27Å; K814-Q817 PolarHBondContact O-N 2.92Å; Q817-N820 WeakPolarHBondContact O-CB 3.19Å; Q817-N820 PolarHBondContact O-N 2.91Å; Q817-N820 PolarHBondContact OE1-ND2 3.29Å; Q817-L821 PolarHBondContact O-N 2.76Å; Q817-I886 HydrophobicContact CB-CD1 4.33Å; Q817-I886 HydrophobicContact CB-CG1 3.77Å; Q817-L889 HydrophobicContact CG-CD1 4Å |
| 818 | Q | 85.2 | Confident | 84.6 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 172.9 | -173.6 | 62 | 60.3 | 0 | 0 | 111.4 | K814 I816 N820 L821 D822 | K814-Q818 PolarHBondContact O-N 3.17Å; I816-Q818 VanDerWaalsContact C-N 3.35Å; I816-Q818 PolarHBondContact O-N 2.92Å; Q818-N820 VanDerWaalsContact C-N 3.29Å; Q818-N820 PolarHBondContact O-N 3.38Å; Q818-L821 WeakPolarHBondContact O-CA 3.23Å; Q818-L821 WeakPolarHBondContact O-CB 3.49Å; Q818-L821 PolarHBondContact O-N 2.91Å; Q818-D822 PolarHBondContact NE2-OD1 2.85Å; Q818-D822 PolarHBondContact O-N 3.25Å |
| 819 | R | 86.1 | Confident | 83.7 | Confident | 146 Ų | 146 | 79.1 Ų | 79.1 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.8 | -34.8 | 176.8 | -75.7 | 177.3 | -70.4 | 150.2 | -4.9 | 113.1 | D815 I816 T823 | D815-R819 WeakPolarHBondContact O-CG 3.31Å; D815-R819 PolarHBondContact O-N 2.68Å; D815-R819 PolarHBondContact O-NE 3.44Å; D815-R819 PolarHBondContact O-NH2 3.27Å; I816-R819 PolarHBondContact O-N 3.16Å; R819-T823 VanDerWaalsContact O-CB 3.28Å; R819-T823 WeakPolarHBondContact O-CB 3.35Å; R819-T823 PolarHBondContact O-N 3.13Å; R819-T823 PolarHBondContact O-OG1 3.15Å |
| 820 | N | 85.1 | Confident | 82.8 | Confident | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 173.3 | -69.2 | -22.2 | 0 | 0 | 0 | 111.3 | I816 Q817 Q818 L824 | I816-N820 PolarHBondContact O-N 3.42Å; I816-N820 PolarHBondContact O-ND2 3.08Å; Q817-N820 WeakPolarHBondContact O-CB 3.19Å; Q817-N820 PolarHBondContact O-N 2.91Å; Q817-N820 PolarHBondContact OE1-ND2 3.29Å; Q818-N820 VanDerWaalsContact C-N 3.29Å; Q818-N820 PolarHBondContact O-N 3.38Å; N820-L824 WeakPolarHBondContact O-CB 3.17Å; N820-L824 PolarHBondContact O-N 3.43Å |
| 821 | L | 82.1 | Confident | 81.8 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 6% | 0.063 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.3 | -47.7 | 176.1 | -178.1 | 53.9 | 0 | 0 | 0 | 111.5 | Q817 Q818 T823 L824 V825 Q879 I886 | Q817-L821 PolarHBondContact O-N 2.76Å; Q818-L821 WeakPolarHBondContact O-CA 3.23Å; Q818-L821 WeakPolarHBondContact O-CB 3.49Å; Q818-L821 PolarHBondContact O-N 2.91Å; L821-T823 VanDerWaalsContact C-N 3.32Å; L821-T823 PolarHBondContact O-N 3.07Å; L821-L824 CarbonylContact O-C 3.6Å; L821-L824 WeakPolarHBondContact O-CA 3.38Å; L821-L824 VanDerWaalsContact O-CB 3.31Å; L821-L824 WeakPolarHBondContact O-CB 3.33Å; L821-L824 PolarHBondContact O-N 2.84Å; L821-V825 HydrophobicContact CD1-CG2 4.45Å; L821-V825 WeakPolarHBondContact O-CG2 3.21Å; L821-V825 PolarHBondContact O-N 2.92Å; L821-Q879 HydrophobicContact CD1-CG 4.28Å; L821-I886 HydrophobicContact CB-CD1 4.19Å; L821-I886 HydrophobicContact CD2-CD1 3.73Å |
| 822 | D | 80.3 | Confident | 80.6 | Confident | 73 Ų | 73 | 79.4 Ų | 79.4 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 178.6 | -56.7 | -28.1 | 0 | 0 | 0 | 110.9 | Q818 L824 V825 E826 | Q818-D822 PolarHBondContact NE2-OD1 2.85Å; Q818-D822 PolarHBondContact O-N 3.25Å; D822-L824 VanDerWaalsContact C-N 3.28Å; D822-L824 PolarHBondContact O-N 3.43Å; D822-V825 WeakPolarHBondContact O-CB 3.45Å; D822-V825 PolarHBondContact O-N 3.08Å; D822-V825 VanDerWaalsContact O-N 3.17Å; D822-E826 PolarHBondContact O-N 3.2Å |
| 823 | T | 82.7 | Confident | 79.3 | Confident | 61 Ų | 61 | 81.7 Ų | 81.7 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 173.5 | -57 | 0 | 0 | 0 | 0 | 112.3 | R819 L821 K827 | R819-T823 VanDerWaalsContact O-CB 3.28Å; R819-T823 WeakPolarHBondContact O-CB 3.35Å; R819-T823 PolarHBondContact O-N 3.13Å; R819-T823 PolarHBondContact O-OG1 3.15Å; L821-T823 VanDerWaalsContact C-N 3.32Å; L821-T823 PolarHBondContact O-N 3.07Å; T823-K827 HydrophobicContact CG2-CD 4.23Å; T823-K827 WeakPolarHBondContact O-CB 3.08Å; T823-K827 VanDerWaalsContact O-CG 3.26Å; T823-K827 WeakPolarHBondContact O-CG 3.4Å; T823-K827 PolarHBondContact O-N 2.61Å; T823-K827 VanDerWaalsContact O-N 3.11Å |
| 824 | L | 80.3 | Confident | 78 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.3 | -38.9 | 175.5 | -165 | 104 | 0 | 0 | 0 | 111.3 | N820 L821 D822 F828 Y875 L878 | N820-L824 WeakPolarHBondContact O-CB 3.17Å; N820-L824 PolarHBondContact O-N 3.43Å; L821-L824 CarbonylContact O-C 3.6Å; L821-L824 WeakPolarHBondContact O-CA 3.38Å; L821-L824 VanDerWaalsContact O-CB 3.31Å; L821-L824 WeakPolarHBondContact O-CB 3.33Å; L821-L824 PolarHBondContact O-N 2.84Å; D822-L824 VanDerWaalsContact C-N 3.28Å; D822-L824 PolarHBondContact O-N 3.43Å; L824-F828 WeakPolarHBondContact O-CB 3.38Å; L824-F828 PolarHBondContact O-N 2.75Å; L824-Y875 HydrophobicContact CD2-CD2 4.21Å; L824-Y875 HydrophobicContact CD2-CE2 4.15Å; L824-L878 HydrophobicContact CD1-CD2 3.92Å; L824-L878 HydrophobicContact CD2-CB 3.92Å; L824-L878 HydrophobicContact CD2-CD2 4.21Å |
| 825 | V | 77.5 | Confident | 76.5 | Confident | 37 Ų | 37 | 85.8 Ų | 85.8 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -50 | 174.4 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | L821 D822 K827 F828 Y829 Y875 | L821-V825 HydrophobicContact CD1-CG2 4.45Å; L821-V825 WeakPolarHBondContact O-CG2 3.21Å; L821-V825 PolarHBondContact O-N 2.92Å; D822-V825 WeakPolarHBondContact O-CB 3.45Å; D822-V825 PolarHBondContact O-N 3.08Å; D822-V825 VanDerWaalsContact O-N 3.17Å; V825-K827 PolarHBondContact O-N 2.93Å; V825-F828 PolarHBondContact O-N 3.33Å; V825-Y829 HydrophobicContact CG1-CD2 3.89Å; V825-Y829 HydrophobicContact CG1-CE2 4.13Å; V825-Y829 PolarHBondContact O-N 2.7Å; V825-Y875 VanDerWaalsContact CG2-OH 3.24Å; V825-Y875 WeakPolarHBondContact CG2-OH 3.44Å |
| 826 | E | 77 | Confident | 74.7 | Confident | 139 Ų | 139 | 87 Ų | 87 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 178.5 | -73 | -168.2 | 151.2 | 0 | 0 | 112.8 | D822 Y829 S830 | D822-E826 PolarHBondContact O-N 3.2Å; E826-Y829 PolarHBondContact O-N 3.28Å; E826-S830 WeakPolarHBondContact O-CB 3.27Å; E826-S830 PolarHBondContact O-N 3.37Å; E826-S830 PolarHBondContact O-OG 2.62Å |
| 827 | K | 77.7 | Confident | 72.2 | Confident | 144 Ų | 144 | 88.5 Ų | 88.5 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 175.2 | -77.3 | 172.2 | -179 | 174.9 | 0 | 111.7 | T823 V825 S830 E831 | T823-K827 HydrophobicContact CG2-CD 4.23Å; T823-K827 WeakPolarHBondContact O-CB 3.08Å; T823-K827 VanDerWaalsContact O-CG 3.26Å; T823-K827 WeakPolarHBondContact O-CG 3.4Å; T823-K827 PolarHBondContact O-N 2.61Å; T823-K827 VanDerWaalsContact O-N 3.11Å; V825-K827 PolarHBondContact O-N 2.93Å; K827-S830 WeakPolarHBondContact O-CB 3.47Å; K827-S830 PolarHBondContact O-N 2.64Å; K827-E831 PolarHBondContact O-N 2.93Å |
| 828 | F | 74.5 | Confident | 70 | Confident | 28 Ų | 28 | 93.9 Ų | 93.9 | 12% | 0.123 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.1 | -179.8 | -105.4 | 0 | 0 | 0 | 112.2 | L824 V825 S830 E831 M832 L871 Y875 | L824-F828 WeakPolarHBondContact O-CB 3.38Å; L824-F828 PolarHBondContact O-N 2.75Å; V825-F828 PolarHBondContact O-N 3.33Å; F828-S830 VanDerWaalsContact C-N 3.27Å; F828-S830 PolarHBondContact O-N 2.86Å; F828-E831 PolarHBondContact O-N 3.4Å; F828-M832 HydrophobicContact CD1-CG 3.98Å; F828-M832 HydrophobicContact CD2-CG 4.49Å; F828-M832 HydrophobicContact CE1-CG 3.67Å; F828-M832 HydrophobicContact CE1-SD 3.64Å; F828-M832 HydrophobicContact CE2-CE 4.49Å; F828-M832 HydrophobicContact CE2-CG 4.22Å; F828-M832 HydrophobicContact CE2-SD 4.29Å; F828-M832 HydrophobicContact CG-CG 4.38Å; F828-M832 HydrophobicContact CZ-CE 4.12Å; F828-M832 HydrophobicContact CZ-CG 3.81Å; F828-M832 HydrophobicContact CZ-SD 3.5Å; F828-M832 VanDerWaalsContact CZ-SD 3.5Å; F828-M832 WeakPolarHBondContact O-CB 3.33Å; F828-M832 WeakPolarHBondContact O-CG 3.47Å; F828-M832 PolarHBondContact O-N 3.37Å; F828-L871 HydrophobicContact CE2-CD2 4.19Å; F828-L871 HydrophobicContact CE2-CG 4.16Å; F828-Y875 HydrophobicContact CB-CD2 3.46Å; F828-Y875 VanDerWaalsContact CB-CD2 3.46Å; F828-Y875 HydrophobicContact CB-CE2 3.5Å; F828-Y875 HydrophobicContact CB-CG 4.24Å; F828-Y875 AromaticContact CD1-CD1 3.76Å; F828-Y875 HydrophobicContact CD1-CD1 3.76Å; F828-Y875 AromaticContact CD1-CD2 3.74Å; F828-Y875 HydrophobicContact CD1-CD2 3.74Å; F828-Y875 AromaticContact CD1-CE1 3.85Å; F828-Y875 HydrophobicContact CD1-CE1 3.85Å; F828-Y875 AromaticContact CD1-CE2 3.81Å; F828-Y875 HydrophobicContact CD1-CE2 3.81Å; F828-Y875 AromaticContact CD1-CG 3.7Å; F828-Y875 HydrophobicContact CD1-CG 3.7Å; F828-Y875 AromaticContact CD1-CZ 3.86Å; F828-Y875 HydrophobicContact CD2-CD1 4.49Å; F828-Y875 AromaticContact CD2-CD2 3.72Å; F828-Y875 HydrophobicContact CD2-CD2 3.72Å; F828-Y875 AromaticContact CD2-CG 3.7Å; F828-Y875 HydrophobicContact CD2-CG 3.7Å; F828-Y875 AromaticContact CE1-CD1 3.72Å; F828-Y875 HydrophobicContact CE1-CD1 3.72Å; F828-Y875 HydrophobicContact CE1-CD2 4.41Å; F828-Y875 HydrophobicContact CE1-CE1 4.07Å; F828-Y875 AromaticContact CE1-CG 3.9Å; F828-Y875 HydrophobicContact CE1-CG 3.9Å; F828-Y875 HydrophobicContact CE2-CD1 4.45Å; F828-Y875 HydrophobicContact CE2-CD2 4.39Å; F828-Y875 AromaticContact CE2-CG 3.9Å; F828-Y875 HydrophobicContact CE2-CG 3.9Å; F828-Y875 HydrophobicContact CG-CD1 4.16Å; F828-Y875 AromaticContact CG-CD2 3.34Å; F828-Y875 HydrophobicContact CG-CD2 3.34Å; F828-Y875 HydrophobicContact CG-CE1 4.46Å; F828-Y875 AromaticContact CG-CE2 3.69Å; F828-Y875 HydrophobicContact CG-CE2 3.69Å; F828-Y875 AromaticContact CG-CG 3.59Å; F828-Y875 HydrophobicContact CG-CG 3.59Å; F828-Y875 HydrophobicContact CZ-CD1 4.08Å; F828-Y875 HydrophobicContact CZ-CG 4Å |
| 829 | Y | 69.9 | Low | 67.6 | Low | 158 Ų | 158 | 94.2 Ų | 94.2 | 62% | 0.62 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -36.1 | 173.7 | -98.5 | -83.1 | 0 | 0 | 0 | 112.7 | V825 E826 K833 | V825-Y829 HydrophobicContact CG1-CD2 3.89Å; V825-Y829 HydrophobicContact CG1-CE2 4.13Å; V825-Y829 PolarHBondContact O-N 2.7Å; E826-Y829 PolarHBondContact O-N 3.28Å; Y829-K833 VanDerWaalsContact O-CB 3.29Å; Y829-K833 WeakPolarHBondContact O-CB 3.39Å; Y829-K833 PolarHBondContact O-N 2.91Å |
| 830 | S | 70.5 | Confident | 65.5 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | E826 K827 F828 K833 S834 | E826-S830 WeakPolarHBondContact O-CB 3.27Å; E826-S830 PolarHBondContact O-N 3.37Å; E826-S830 PolarHBondContact O-OG 2.62Å; K827-S830 WeakPolarHBondContact O-CB 3.47Å; K827-S830 PolarHBondContact O-N 2.64Å; F828-S830 VanDerWaalsContact C-N 3.27Å; F828-S830 PolarHBondContact O-N 2.86Å; S830-K833 PolarHBondContact O-N 3.21Å; S830-S834 PolarHBondContact O-N 3.44Å |
| 831 | E | 69 | Low | 63.2 | Low | 75 Ų | 75 | 94.8 Ų | 94.8 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 176 | -162.9 | -174.7 | 163 | 0 | 0 | 111.7 | K827 F828 K833 S834 R835 L871 | K827-E831 PolarHBondContact O-N 2.93Å; F828-E831 PolarHBondContact O-N 3.4Å; E831-K833 PolarHBondContact O-N 3.33Å; E831-S834 PolarHBondContact O-N 3.38Å; E831-S834 PolarHBondContact O-OG 3.45Å; E831-R835 PolarHBondContact O-N 3.24Å; E831-R835 IonicContact OE1-CZ 2.69Å; E831-R835 IonicContact OE1-NE 2.7Å; E831-R835 IonicContact OE1-NH2 2.61Å; E831-R835 PolarHBondContact OE1-NH2 3.16Å; E831-L871 HydrophobicContact CG-CD2 4.4Å |
| 832 | M | 64.3 | Low | 60.8 | Low | 31 Ų | 31 | 99.8 Ų | 99.8 | 15% | 0.153 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -54.1 | -52.1 | 171.8 | -67.9 | -100.2 | 78.5 | 0 | 0 | 110.9 | F828 S834 R835 Y868 | F828-M832 HydrophobicContact CD1-CG 3.98Å; F828-M832 HydrophobicContact CD2-CG 4.49Å; F828-M832 HydrophobicContact CE1-CG 3.67Å; F828-M832 HydrophobicContact CE1-SD 3.64Å; F828-M832 HydrophobicContact CE2-CE 4.49Å; F828-M832 HydrophobicContact CE2-CG 4.22Å; F828-M832 HydrophobicContact CE2-SD 4.29Å; F828-M832 HydrophobicContact CG-CG 4.38Å; F828-M832 HydrophobicContact CZ-CE 4.12Å; F828-M832 HydrophobicContact CZ-CG 3.81Å; F828-M832 HydrophobicContact CZ-SD 3.5Å; F828-M832 VanDerWaalsContact CZ-SD 3.5Å; F828-M832 WeakPolarHBondContact O-CB 3.33Å; F828-M832 WeakPolarHBondContact O-CG 3.47Å; F828-M832 PolarHBondContact O-N 3.37Å; M832-S834 VanDerWaalsContact C-N 3.3Å; M832-S834 PolarHBondContact O-N 3.39Å; M832-R835 PolarHBondContact O-N 3.37Å; M832-Y868 HydrophobicContact CE-CD2 3.76Å; M832-Y868 HydrophobicContact CE-CE1 4.18Å; M832-Y868 HydrophobicContact CE-CE2 3.4Å; M832-Y868 HydrophobicContact CE-CG 4.31Å; M832-Y868 HydrophobicContact SD-CE2 4.16Å |
| 833 | K | 62.9 | Low | 58.4 | Low | 167 Ų | 167 | 100.6 Ų | 100.6 | 73% | 0.726 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.2 | -31.4 | -177 | -168 | 173.6 | -175.8 | 177.6 | 0 | 112.9 | Y829 S830 E831 R835 T836 | Y829-K833 VanDerWaalsContact O-CB 3.29Å; Y829-K833 WeakPolarHBondContact O-CB 3.39Å; Y829-K833 PolarHBondContact O-N 2.91Å; S830-K833 PolarHBondContact O-N 3.21Å; E831-K833 PolarHBondContact O-N 3.33Å; K833-R835 VanDerWaalsContact C-N 3.28Å; K833-R835 PolarHBondContact O-N 2.97Å; K833-T836 PolarHBondContact O-N 3.07Å; K833-T836 PolarHBondContact O-OG1 3.29Å |
| 834 | S | 61.3 | Low | 56 | Low | 87 Ų | 87 | 103 Ų | 103 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.2 | -25.4 | 176.8 | 76.1 | 0 | 0 | 0 | 0 | 113.8 | S830 E831 M832 | S830-S834 PolarHBondContact O-N 3.44Å; E831-S834 PolarHBondContact O-N 3.38Å; E831-S834 PolarHBondContact O-OG 3.45Å; M832-S834 VanDerWaalsContact C-N 3.3Å; M832-S834 PolarHBondContact O-N 3.39Å |
| 835 | R | 58.2 | Low | 53.7 | Low | 142 Ų | 142 | 104.4 Ų | 104.4 | 54% | 0.536 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | 7.5 | -179.1 | -62.9 | -174.6 | -175.8 | -131.2 | 10.5 | 113.8 | E831 M832 K833 E867 | E831-R835 PolarHBondContact O-N 3.24Å; E831-R835 IonicContact OE1-CZ 2.69Å; E831-R835 IonicContact OE1-NE 2.7Å; E831-R835 IonicContact OE1-NH2 2.61Å; E831-R835 PolarHBondContact OE1-NH2 3.16Å; M832-R835 PolarHBondContact O-N 3.37Å; K833-R835 VanDerWaalsContact C-N 3.28Å; K833-R835 PolarHBondContact O-N 2.97Å; R835-E867 IonicContact NH1-OE2 2.96Å; R835-E867 PolarHBondContact NH1-OE2 3.05Å |
| 836 | T | 51.8 | Low | 51.6 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -135.9 | 94.6 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | K833 | K833-T836 PolarHBondContact O-N 3.07Å; K833-T836 PolarHBondContact O-OG1 3.29Å |
| 837 | S | 35.5 | Very low | 49.7 | Very low | 112 Ų | 112 | 105.4 Ų | 105.4 | 78% | 0.783 | 63% | 0.633 | S | S | * | * | trans | -92.3 | 110.5 | -170.3 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 838 | L | 37.3 | Very low | 47.7 | Very low | 177 Ų | 177 | 103.7 Ų | 103.7 | 93% | 0.927 | 64% | 0.639 | S | S | * | * | trans | -173.6 | 127.6 | 149.5 | -108.2 | 160.4 | 0 | 0 | 0 | 112.4 | ||||
| 839 | G | 36.2 | Very low | 45.8 | Very low | 72 Ų | 72 | 107 Ų | 107 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | trans | 63.1 | 114.1 | 151 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 840 | P | 40.7 | Very low | 44.2 | Very low | 130 Ų | 130 | 107.1 Ų | 107.1 | 84% | 0.844 | 67% | 0.668 | S | S | * | * | trans | -109.1 | 144 | 174.5 | 37.5 | -29.6 | 0 | 0 | 0 | 115.1 | ||||
| 841 | S | 36.9 | Very low | 43 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | trans | -162.5 | 123.2 | 148 | 46.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 842 | S | 31.8 | Very low | 41.6 | Very low | 116 Ų | 116 | 108.9 Ų | 108.9 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | trans | 23.3 | 146.8 | 146.6 | 58.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 843 | A | 31.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 114 Ų | 114 | 74% | 0.744 | 72% | 0.716 | S | S | * | * | trans | 103.1 | 93.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 844 | S | 32.3 | Very low | 39.2 | Very low | 113 Ų | 113 | 111.6 Ų | 111.6 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | 45.1 | 124 | 137.5 | 61.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 845 | A | 31.6 | Very low | 38.2 | Very low | 87 Ų | 87 | 112.9 Ų | 112.9 | 72% | 0.719 | 73% | 0.729 | S | S | * | * | trans | 82.8 | 147.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 846 | T | 33.3 | Very low | 37.4 | Very low | 128 Ų | 128 | 111.3 Ų | 111.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 68.2 | 128.1 | 169.3 | 68.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 847 | S | 36.2 | Very low | 36.9 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 48% | 0.476 | 75% | 0.753 | S | S | . | * | trans | 173.7 | 113.1 | 160.3 | 171.8 | 0 | 0 | 0 | 0 | 107.2 | L849 | S847-L849 VanDerWaalsContact C-N 3.32Å; S847-L849 WeakPolarHBondContact OG-CA 3.46Å; S847-L849 WeakPolarHBondContact OG-CB 3.45Å; S847-L849 PolarHBondContact OG-N 3.09Å | ||
| 848 | S | 35.9 | Very low | 37 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | 62.2 | 3.6 | -1.6 | 77.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 849 | L | 35.6 | Very low | 37 | Very low | 98 Ų | 98 | 118 Ų | 118 | 51% | 0.513 | 75% | 0.753 | S | S | . | * | trans | -135.4 | -1.3 | -179.7 | -99.5 | 160.1 | 0 | 0 | 0 | 114.5 | S847 S851 S852 | S847-L849 VanDerWaalsContact C-N 3.32Å; S847-L849 WeakPolarHBondContact OG-CA 3.46Å; S847-L849 WeakPolarHBondContact OG-CB 3.45Å; S847-L849 PolarHBondContact OG-N 3.09Å; L849-S851 VanDerWaalsContact C-N 3.27Å; L849-S851 PolarHBondContact O-N 3.02Å; L849-S852 PolarHBondContact O-N 3.19Å | ||
| 850 | L | 36.8 | Very low | 37 | Very low | 159 Ų | 159 | 124 Ų | 124 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -5.8 | -176.7 | -85.8 | 166.1 | 0 | 0 | 0 | 115.5 | ||
| 851 | S | 44.7 | Very low | 37 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -7.7 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 114.6 | L849 | L849-S851 VanDerWaalsContact C-N 3.27Å; L849-S851 PolarHBondContact O-N 3.02Å |
| 852 | S | 39.6 | Very low | 37.2 | Very low | 80 Ų | 80 | 125 Ų | 125 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -123.7 | -0.5 | -153.9 | -50.9 | 0 | 0 | 0 | 0 | 116.5 | L849 | L849-S852 PolarHBondContact O-N 3.19Š|
| 853 | L | 37.5 | Very low | 37.9 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -126.7 | 1.1 | -166.9 | -102.1 | 83.5 | 0 | 0 | 0 | 117.4 | S855 | L853-S855 PolarHBondContact O-N 3.14Š| ||
| 854 | S | 39.5 | Very low | 38.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 3.1 | -167.9 | 54.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 855 | S | 40.7 | Very low | 39.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -15.3 | -168.8 | -58.6 | 0 | 0 | 0 | 0 | 116.6 | L853 | L853-S855 PolarHBondContact O-N 3.14Š|
| 856 | S | 40.5 | Very low | 41.1 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -118.8 | 6.1 | -152.9 | -55.2 | 0 | 0 | 0 | 0 | 117.8 | ||
| 857 | I | 41.9 | Very low | 42.3 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -123.3 | 97.9 | 179.3 | -54 | -177.7 | 0 | 0 | 0 | 111.2 | ||||
| 858 | K | 36.9 | Very low | 43.6 | Very low | 194 Ų | 194 | 134 Ų | 134 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -126.8 | 149.8 | 169.4 | -85 | -177.6 | 175.8 | 173.9 | 0 | 109.8 | ||||
| 859 | L | 37.9 | Very low | 45.1 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | 72.2 | 98.8 | 166.9 | -56.6 | 160.7 | 0 | 0 | 0 | 118 | ||||
| 860 | K | 36.3 | Very low | 46.8 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 87% | 0.865 | 72% | 0.723 | S | S | * | * | 175.2 | 159 | 111.6 | -93.1 | 162.2 | -176 | 178 | 0 | 113.1 | |||||
| 861 | S | 40 | Very low | 48.3 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 69% | 0.694 | S | S | * | * | trans | 66.6 | 134.4 | -174 | 79.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 862 | N | 41.3 | Very low | 49.6 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | trans | -141 | 31.8 | -151.3 | -153 | 23.2 | 0 | 0 | 0 | 115.5 | ||||
| 863 | Q | 46.8 | Very low | 51.5 | Low | 181 Ų | 181 | 130.7 Ų | 130.7 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -124.6 | -42 | 178.4 | -78.1 | 176.7 | -35.7 | 0 | 0 | 114.3 | H865 | Q863-H865 PolarHBondContact O-N 3.03Š|
| 864 | N | 50.9 | Low | 53.4 | Low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -7.3 | 174.4 | -80.2 | 4.2 | 0 | 0 | 0 | 114.7 | N866 | N864-N866 PolarHBondContact O-N 2.81Š|
| 865 | H | 53.1 | Low | 55.3 | Low | 90 Ų | 90 | 126.8 Ų | 126.8 | 42% | 0.417 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74.5 | -22.2 | -171.5 | -169.9 | 54.3 | 0 | 0 | 0 | 114.4 | Q863 K869 | Q863-H865 PolarHBondContact O-N 3.03Å; H865-K869 WeakPolarHBondContact NE2-CE 3.17Å; H865-K869 PolarHBondContact NE2-NZ 3.08Å; H865-K869 PolarHBondContact O-N 3.34Å |
| 866 | N | 57.7 | Low | 57.2 | Low | 117 Ų | 117 | 126.6 Ų | 126.6 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79.4 | -41.9 | -176.9 | -88.8 | -10.5 | 0 | 0 | 0 | 113.6 | N864 K869 Q870 | N864-N866 PolarHBondContact O-N 2.81Å; N866-K869 PolarHBondContact O-N 3.36Å; N866-Q870 PolarHBondContact O-N 2.78Å; N866-Q870 VanDerWaalsContact O-N 3.15Å |
| 867 | E | 58.2 | Low | 59.1 | Low | 130 Ų | 130 | 125.7 Ų | 125.7 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.4 | -45.1 | 174.6 | -73.1 | -165.6 | -171.9 | 0 | 0 | 111.4 | R835 K869 Q870 L871 | R835-E867 IonicContact NH1-OE2 2.96Å; R835-E867 PolarHBondContact NH1-OE2 3.05Å; E867-K869 VanDerWaalsContact C-N 3.29Å; E867-K869 PolarHBondContact O-N 3.17Å; E867-Q870 PolarHBondContact O-N 3.11Å; E867-L871 PolarHBondContact O-N 3.49Å |
| 868 | Y | 64.7 | Low | 60.9 | Low | 118 Ų | 118 | 122.1 Ų | 122.1 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -50.1 | -50.6 | 176.1 | -169 | -72.4 | 0 | 0 | 0 | 111 | M832 Q870 L871 E872 | M832-Y868 HydrophobicContact CE-CD2 3.76Å; M832-Y868 HydrophobicContact CE-CE1 4.18Å; M832-Y868 HydrophobicContact CE-CE2 3.4Å; M832-Y868 HydrophobicContact CE-CG 4.31Å; M832-Y868 HydrophobicContact SD-CE2 4.16Å; Y868-Q870 PolarHBondContact O-N 2.99Å; Y868-L871 PolarHBondContact O-N 3.11Å; Y868-E872 VanDerWaalsContact O-CB 3.25Å; Y868-E872 WeakPolarHBondContact O-CB 3.3Å; Y868-E872 PolarHBondContact O-N 3.49Å |
| 869 | K | 67.8 | Low | 63.1 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 46% | 0.457 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.3 | -32.6 | 177.9 | -86.9 | 174.7 | 160.6 | 165.7 | 0 | 114.2 | H865 N866 E867 K873 | H865-K869 WeakPolarHBondContact NE2-CE 3.17Å; H865-K869 PolarHBondContact NE2-NZ 3.08Å; H865-K869 PolarHBondContact O-N 3.34Å; N866-K869 PolarHBondContact O-N 3.36Å; E867-K869 VanDerWaalsContact C-N 3.29Å; E867-K869 PolarHBondContact O-N 3.17Å; K869-K873 VanDerWaalsContact O-CB 3.3Å; K869-K873 WeakPolarHBondContact O-CB 3.36Å; K869-K873 PolarHBondContact O-N 2.71Å; K869-K873 VanDerWaalsContact O-N 3.08Å |
| 870 | Q | 69.8 | Low | 65.2 | Low | 138 Ų | 138 | 111.9 Ų | 111.9 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.5 | -41.9 | 175.4 | -70.2 | -167.6 | 22.8 | 0 | 0 | 112 | N866 E867 Y868 K873 K874 | N866-Q870 PolarHBondContact O-N 2.78Å; N866-Q870 VanDerWaalsContact O-N 3.15Å; E867-Q870 PolarHBondContact O-N 3.11Å; Y868-Q870 PolarHBondContact O-N 2.99Å; Q870-K873 PolarHBondContact O-N 2.87Å; Q870-K874 PolarHBondContact O-N 3.34Å |
| 871 | L | 68.6 | Low | 67.5 | Low | 43 Ų | 43 | 106.2 Ų | 106.2 | 23% | 0.225 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 178 | -156.9 | 74.7 | 0 | 0 | 0 | 111 | F828 E831 E867 Y868 K873 K874 Y875 | F828-L871 HydrophobicContact CE2-CD2 4.19Å; F828-L871 HydrophobicContact CE2-CG 4.16Å; E831-L871 HydrophobicContact CG-CD2 4.4Å; E867-L871 PolarHBondContact O-N 3.49Å; Y868-L871 PolarHBondContact O-N 3.11Å; L871-K873 VanDerWaalsContact C-N 3.3Å; L871-K873 PolarHBondContact O-N 3.23Å; L871-K874 PolarHBondContact O-N 2.63Å; L871-Y875 WeakPolarHBondContact O-CB 3.43Å; L871-Y875 PolarHBondContact O-N 3.09Å |
| 872 | E | 71.9 | Confident | 69.6 | Low | 54 Ų | 54 | 101.7 Ų | 101.7 | 25% | 0.252 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.7 | -41.9 | 172.8 | -171.6 | -165.2 | 160.9 | 0 | 0 | 112 | Y868 Y875 K876 | Y868-E872 VanDerWaalsContact O-CB 3.25Å; Y868-E872 WeakPolarHBondContact O-CB 3.3Å; Y868-E872 PolarHBondContact O-N 3.49Å; E872-Y875 PolarHBondContact O-N 2.99Å; E872-K876 HydrophobicContact CG-CD 4.22Å; E872-K876 WeakPolarHBondContact O-CB 3.12Å; E872-K876 WeakPolarHBondContact O-CG 3.35Å; E872-K876 PolarHBondContact O-N 3.13Å; E872-K876 WeakPolarHBondContact OE1-CE 3.23Å; E872-K876 IonicContact OE1-NZ 3.29Å; E872-K876 PolarHBondContact OE1-NZ 3.32Å |
| 873 | K | 79.1 | Confident | 71.7 | Confident | 146 Ų | 146 | 97.1 Ų | 97.1 | 64% | 0.635 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.2 | -40.8 | 177.4 | -171.7 | 175.8 | -178.6 | -179.3 | 0 | 112.6 | K869 Q870 L871 N877 | K869-K873 VanDerWaalsContact O-CB 3.3Å; K869-K873 WeakPolarHBondContact O-CB 3.36Å; K869-K873 PolarHBondContact O-N 2.71Å; K869-K873 VanDerWaalsContact O-N 3.08Å; Q870-K873 PolarHBondContact O-N 2.87Å; L871-K873 VanDerWaalsContact C-N 3.3Å; L871-K873 PolarHBondContact O-N 3.23Å; K873-N877 PolarHBondContact O-N 3.08Å; K873-N877 VanDerWaalsContact O-N 3.15Å; K873-N877 PolarHBondContact O-OD1 3.45Å |
| 874 | K | 78.8 | Confident | 73.7 | Confident | 147 Ų | 147 | 94.5 Ų | 94.5 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.9 | -46.2 | 173.4 | -78.1 | -175.1 | 176.5 | -179.3 | 0 | 111.2 | Q870 L871 N877 L878 | Q870-K874 PolarHBondContact O-N 3.34Å; L871-K874 PolarHBondContact O-N 2.63Å; K874-N877 PolarHBondContact O-N 3.22Å; K874-L878 WeakPolarHBondContact O-CD1 3.43Å; K874-L878 PolarHBondContact O-N 2.74Å; K874-L878 VanDerWaalsContact O-N 3.08Å |
| 875 | Y | 79.6 | Confident | 75.4 | Confident | 26 Ų | 26 | 90.6 Ų | 90.6 | 10% | 0.102 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 178.2 | 174.1 | -99.6 | 0 | 0 | 0 | 112 | L824 V825 F828 L871 E872 N877 L878 Q879 | L824-Y875 HydrophobicContact CD2-CD2 4.21Å; L824-Y875 HydrophobicContact CD2-CE2 4.15Å; V825-Y875 VanDerWaalsContact CG2-OH 3.24Å; V825-Y875 WeakPolarHBondContact CG2-OH 3.44Å; F828-Y875 HydrophobicContact CB-CD2 3.46Å; F828-Y875 VanDerWaalsContact CB-CD2 3.46Å; F828-Y875 HydrophobicContact CB-CE2 3.5Å; F828-Y875 HydrophobicContact CB-CG 4.24Å; F828-Y875 AromaticContact CD1-CD1 3.76Å; F828-Y875 HydrophobicContact CD1-CD1 3.76Å; F828-Y875 AromaticContact CD1-CD2 3.74Å; F828-Y875 HydrophobicContact CD1-CD2 3.74Å; F828-Y875 AromaticContact CD1-CE1 3.85Å; F828-Y875 HydrophobicContact CD1-CE1 3.85Å; F828-Y875 AromaticContact CD1-CE2 3.81Å; F828-Y875 HydrophobicContact CD1-CE2 3.81Å; F828-Y875 AromaticContact CD1-CG 3.7Å; F828-Y875 HydrophobicContact CD1-CG 3.7Å; F828-Y875 AromaticContact CD1-CZ 3.86Å; F828-Y875 HydrophobicContact CD2-CD1 4.49Å; F828-Y875 AromaticContact CD2-CD2 3.72Å; F828-Y875 HydrophobicContact CD2-CD2 3.72Å; F828-Y875 AromaticContact CD2-CG 3.7Å; F828-Y875 HydrophobicContact CD2-CG 3.7Å; F828-Y875 AromaticContact CE1-CD1 3.72Å; F828-Y875 HydrophobicContact CE1-CD1 3.72Å; F828-Y875 HydrophobicContact CE1-CD2 4.41Å; F828-Y875 HydrophobicContact CE1-CE1 4.07Å; F828-Y875 AromaticContact CE1-CG 3.9Å; F828-Y875 HydrophobicContact CE1-CG 3.9Å; F828-Y875 HydrophobicContact CE2-CD1 4.45Å; F828-Y875 HydrophobicContact CE2-CD2 4.39Å; F828-Y875 AromaticContact CE2-CG 3.9Å; F828-Y875 HydrophobicContact CE2-CG 3.9Å; F828-Y875 HydrophobicContact CG-CD1 4.16Å; F828-Y875 AromaticContact CG-CD2 3.34Å; F828-Y875 HydrophobicContact CG-CD2 3.34Å; F828-Y875 HydrophobicContact CG-CE1 4.46Å; F828-Y875 AromaticContact CG-CE2 3.69Å; F828-Y875 HydrophobicContact CG-CE2 3.69Å; F828-Y875 AromaticContact CG-CG 3.59Å; F828-Y875 HydrophobicContact CG-CG 3.59Å; F828-Y875 HydrophobicContact CZ-CD1 4.08Å; F828-Y875 HydrophobicContact CZ-CG 4Å; L871-Y875 WeakPolarHBondContact O-CB 3.43Å; L871-Y875 PolarHBondContact O-N 3.09Å; E872-Y875 PolarHBondContact O-N 2.99Å; Y875-N877 VanDerWaalsContact C-N 3.25Å; Y875-N877 PolarHBondContact O-N 2.94Å; Y875-L878 PolarHBondContact O-N 3.24Å; Y875-L878 VanDerWaalsContact O-N 3.15Å; Y875-Q879 VanDerWaalsContact CE1-OE1 3.28Å; Y875-Q879 WeakPolarHBondContact O-CB 3.48Å; Y875-Q879 PolarHBondContact O-N 3.43Å |
| 876 | K | 78.9 | Confident | 77.1 | Confident | 110 Ų | 110 | 87 Ų | 87 | 48% | 0.478 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58 | -34.9 | 176.9 | -77.9 | 175.5 | 172.1 | 175.1 | 0 | 113.1 | E872 S880 | E872-K876 HydrophobicContact CG-CD 4.22Å; E872-K876 WeakPolarHBondContact O-CB 3.12Å; E872-K876 WeakPolarHBondContact O-CG 3.35Å; E872-K876 PolarHBondContact O-N 3.13Å; E872-K876 WeakPolarHBondContact OE1-CE 3.23Å; E872-K876 IonicContact OE1-NZ 3.29Å; E872-K876 PolarHBondContact OE1-NZ 3.32Å; K876-S880 WeakPolarHBondContact O-CB 3.44Å; K876-S880 PolarHBondContact O-N 2.65Å; K876-S880 PolarHBondContact O-OG 2.86Å |
| 877 | N | 81 | Confident | 78.5 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.3 | -44.9 | 174.7 | -74.8 | 9.8 | 0 | 0 | 0 | 112.8 | K873 K874 Y875 S880 T881 | K873-N877 PolarHBondContact O-N 3.08Å; K873-N877 VanDerWaalsContact O-N 3.15Å; K873-N877 PolarHBondContact O-OD1 3.45Å; K874-N877 PolarHBondContact O-N 3.22Å; Y875-N877 VanDerWaalsContact C-N 3.25Å; Y875-N877 PolarHBondContact O-N 2.94Å; N877-S880 PolarHBondContact O-N 2.81Å; N877-S880 PolarHBondContact O-OG 3.02Å; N877-T881 PolarHBondContact O-N 2.87Å; N877-T881 VanDerWaalsContact O-N 3.1Å; N877-T881 PolarHBondContact O-OG1 3.39Å |
| 878 | L | 80.2 | Confident | 80.1 | Confident | 96 Ų | 96 | 84.7 Ų | 84.7 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 176.3 | -94.1 | 74.5 | 0 | 0 | 0 | 111.2 | L824 K874 Y875 S880 T881 S882 | L824-L878 HydrophobicContact CD1-CD2 3.92Å; L824-L878 HydrophobicContact CD2-CB 3.92Å; L824-L878 HydrophobicContact CD2-CD2 4.21Å; K874-L878 WeakPolarHBondContact O-CD1 3.43Å; K874-L878 PolarHBondContact O-N 2.74Å; K874-L878 VanDerWaalsContact O-N 3.08Å; Y875-L878 PolarHBondContact O-N 3.24Å; Y875-L878 VanDerWaalsContact O-N 3.15Å; L878-S880 PolarHBondContact O-N 3.41Å; L878-T881 PolarHBondContact O-N 3.44Å; L878-S882 WeakPolarHBondContact O-CB 3.42Å; L878-S882 PolarHBondContact O-N 3.5Å |
| 879 | Q | 81.8 | Confident | 81.3 | Confident | 71 Ų | 71 | 80.2 Ų | 80.2 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 176.4 | -172.4 | 179.4 | 19.7 | 0 | 0 | 111.1 | L821 Y875 T881 T883 | L821-Q879 HydrophobicContact CD1-CG 4.28Å; Y875-Q879 VanDerWaalsContact CE1-OE1 3.28Å; Y875-Q879 WeakPolarHBondContact O-CB 3.48Å; Y875-Q879 PolarHBondContact O-N 3.43Å; Q879-T881 PolarHBondContact O-N 3.34Å; Q879-T883 WeakPolarHBondContact O-CB 3.42Å; Q879-T883 PolarHBondContact O-N 3.03Å; Q879-T883 PolarHBondContact O-OG1 3.35Å |
| 880 | S | 82 | Confident | 82.4 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 179.2 | 69.1 | 0 | 0 | 0 | 0 | 113 | K876 N877 L878 K884 | K876-S880 WeakPolarHBondContact O-CB 3.44Å; K876-S880 PolarHBondContact O-N 2.65Å; K876-S880 PolarHBondContact O-OG 2.86Å; N877-S880 PolarHBondContact O-N 2.81Å; N877-S880 PolarHBondContact O-OG 3.02Å; L878-S880 PolarHBondContact O-N 3.41Å; S880-K884 WeakPolarHBondContact O-CB 3.17Å; S880-K884 PolarHBondContact O-N 3.09Å |
| 881 | T | 85 | Confident | 83.4 | Confident | 80 Ų | 80 | 79.7 Ų | 79.7 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -54.8 | 176.2 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | N877 L878 Q879 T883 K884 D885 | N877-T881 PolarHBondContact O-N 2.87Å; N877-T881 VanDerWaalsContact O-N 3.1Å; N877-T881 PolarHBondContact O-OG1 3.39Å; L878-T881 PolarHBondContact O-N 3.44Å; Q879-T881 PolarHBondContact O-N 3.34Å; T881-T883 VanDerWaalsContact C-N 3.34Å; T881-T883 PolarHBondContact O-N 3.49Å; T881-K884 WeakPolarHBondContact O-CA 3.48Å; T881-K884 WeakPolarHBondContact O-CB 3.37Å; T881-K884 PolarHBondContact O-N 3.49Å; T881-D885 PolarHBondContact O-N 2.61Å |
| 882 | S | 83.7 | Confident | 84.5 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | -179 | 178 | 0 | 0 | 0 | 0 | 112.8 | L878 K884 D885 I886 | L878-S882 WeakPolarHBondContact O-CB 3.42Å; L878-S882 PolarHBondContact O-N 3.5Å; S882-K884 VanDerWaalsContact C-N 3.34Å; S882-K884 PolarHBondContact O-N 3.03Å; S882-D885 PolarHBondContact O-N 2.97Å; S882-I886 WeakPolarHBondContact O-CD1 3.38Å; S882-I886 VanDerWaalsContact O-CG1 3.26Å; S882-I886 WeakPolarHBondContact O-CG1 3.36Å; S882-I886 PolarHBondContact O-N 3.36Å |
| 883 | T | 85.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 172 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | Q879 T881 I886 Q887 | Q879-T883 WeakPolarHBondContact O-CB 3.42Å; Q879-T883 PolarHBondContact O-N 3.03Å; Q879-T883 PolarHBondContact O-OG1 3.35Å; T881-T883 VanDerWaalsContact C-N 3.34Å; T881-T883 PolarHBondContact O-N 3.49Å; T883-I886 PolarHBondContact O-N 3.12Å; T883-Q887 WeakPolarHBondContact O-CB 3.29Å; T883-Q887 VanDerWaalsContact O-CG 3.26Å; T883-Q887 WeakPolarHBondContact O-CG 3.16Å; T883-Q887 PolarHBondContact O-N 3.21Å |
| 884 | K | 88.2 | Confident | 86 | Confident | 127 Ų | 127 | 74 Ų | 74 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 175.9 | -171.6 | -175.1 | 179.3 | -171.8 | 0 | 111.7 | S880 T881 S882 Q887 N888 | S880-K884 WeakPolarHBondContact O-CB 3.17Å; S880-K884 PolarHBondContact O-N 3.09Å; T881-K884 WeakPolarHBondContact O-CA 3.48Å; T881-K884 WeakPolarHBondContact O-CB 3.37Å; T881-K884 PolarHBondContact O-N 3.49Å; S882-K884 VanDerWaalsContact C-N 3.34Å; S882-K884 PolarHBondContact O-N 3.03Å; K884-Q887 WeakPolarHBondContact O-CB 3.26Å; K884-Q887 PolarHBondContact O-N 3.25Å; K884-N888 PolarHBondContact O-N 2.81Å; K884-N888 PolarHBondContact O-ND2 3.23Å; K884-N888 PolarHBondContact O-OD1 3.46Å |
| 885 | D | 87 | Confident | 86.6 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 179 | -62.4 | -32.6 | 0 | 0 | 0 | 112 | T881 S882 Q887 N888 L889 | T881-D885 PolarHBondContact O-N 2.61Å; S882-D885 PolarHBondContact O-N 2.97Å; D885-Q887 VanDerWaalsContact C-N 3.34Å; D885-N888 PolarHBondContact O-N 3.14Å; D885-L889 WeakPolarHBondContact O-CG 3.16Å; D885-L889 PolarHBondContact O-N 2.99Å |
| 886 | I | 88.5 | Confident | 87.3 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 170.4 | -66.7 | 162.8 | 0 | 0 | 0 | 111 | K814 Q817 L821 S882 T883 H890 | K814-I886 HydrophobicContact CG-CG2 4.33Å; Q817-I886 HydrophobicContact CB-CD1 4.33Å; Q817-I886 HydrophobicContact CB-CG1 3.77Å; L821-I886 HydrophobicContact CB-CD1 4.19Å; L821-I886 HydrophobicContact CD2-CD1 3.73Å; S882-I886 WeakPolarHBondContact O-CD1 3.38Å; S882-I886 VanDerWaalsContact O-CG1 3.26Å; S882-I886 WeakPolarHBondContact O-CG1 3.36Å; S882-I886 PolarHBondContact O-N 3.36Å; T883-I886 PolarHBondContact O-N 3.12Å; I886-H890 VanDerWaalsContact O-CB 3.32Å; I886-H890 WeakPolarHBondContact O-CB 3.36Å; I886-H890 PolarHBondContact O-N 3.25Å |
| 887 | Q | 88.6 | Confident | 87.9 | Confident | 118 Ų | 118 | 72.6 Ų | 72.6 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 173.9 | -75.7 | 170.6 | -11.3 | 0 | 0 | 112.4 | T883 K884 D885 H890 H891 | T883-Q887 WeakPolarHBondContact O-CB 3.29Å; T883-Q887 VanDerWaalsContact O-CG 3.26Å; T883-Q887 WeakPolarHBondContact O-CG 3.16Å; T883-Q887 PolarHBondContact O-N 3.21Å; K884-Q887 WeakPolarHBondContact O-CB 3.26Å; K884-Q887 PolarHBondContact O-N 3.25Å; D885-Q887 VanDerWaalsContact C-N 3.34Å; Q887-H890 PolarHBondContact O-N 3.42Å; Q887-H891 WeakPolarHBondContact O-CB 3.36Å; Q887-H891 PolarHBondContact O-N 2.86Å |
| 888 | N | 90.6 | Very high | 88.4 | Confident | 80 Ų | 80 | 74 Ų | 74 | 43% | 0.428 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 175.8 | -64.5 | -30 | 0 | 0 | 0 | 111.3 | K884 D885 H891 T892 | K884-N888 PolarHBondContact O-N 2.81Å; K884-N888 PolarHBondContact O-ND2 3.23Å; K884-N888 PolarHBondContact O-OD1 3.46Å; D885-N888 PolarHBondContact O-N 3.14Å; N888-H891 PolarHBondContact O-N 3.1Å; N888-T892 PolarHBondContact O-N 3.41Å; N888-T892 PolarHBondContact O-OG1 2.99Å |
| 889 | L | 90.2 | Very high | 88.8 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.4 | -75.6 | 169.6 | 0 | 0 | 0 | 111.4 | L810 E813 K814 Q817 D885 H891 T892 I893 | L810-L889 HydrophobicContact CD2-CD2 4.08Å; E813-L889 HydrophobicContact CG-CD1 4.14Å; E813-L889 HydrophobicContact CG-CD2 4.4Å; K814-L889 HydrophobicContact CB-CB 4.1Å; K814-L889 HydrophobicContact CB-CD1 4.2Å; K814-L889 HydrophobicContact CG-CB 4.45Å; Q817-L889 HydrophobicContact CG-CD1 4Å; D885-L889 WeakPolarHBondContact O-CG 3.16Å; D885-L889 PolarHBondContact O-N 2.99Å; L889-H891 PolarHBondContact O-N 2.73Å; L889-T892 PolarHBondContact O-N 3.22Å; L889-I893 WeakPolarHBondContact O-CD1 3.47Å; L889-I893 VanDerWaalsContact O-CG1 3.24Å; L889-I893 WeakPolarHBondContact O-CG1 3.08Å; L889-I893 PolarHBondContact O-N 2.87Å |
| 890 | H | 90.9 | Very high | 89.3 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.2 | -177.9 | 23.9 | 0 | 0 | 0 | 112 | I886 Q887 T892 I893 E894 | I886-H890 VanDerWaalsContact O-CB 3.32Å; I886-H890 WeakPolarHBondContact O-CB 3.36Å; I886-H890 PolarHBondContact O-N 3.25Å; Q887-H890 PolarHBondContact O-N 3.42Å; H890-T892 VanDerWaalsContact C-N 3.34Å; H890-T892 PolarHBondContact O-N 3.18Å; H890-I893 PolarHBondContact O-N 3.44Å; H890-E894 IonicContact CE1-OE1 3.74Å; H890-E894 PolarHBondContact CE1-OE1 3.19Å; H890-E894 IonicContact ND1-OE1 2.96Å; H890-E894 PolarHBondContact ND1-OE1 3.21Å; H890-E894 WeakPolarHBondContact O-CG 3.35Å; H890-E894 PolarHBondContact O-N 3.13Å |
| 891 | H | 91.5 | Very high | 89.6 | Confident | 134 Ų | 134 | 68.7 Ų | 68.7 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.3 | -42.6 | 176.6 | -173.4 | 64.5 | 0 | 0 | 0 | 112.1 | Q887 N888 L889 I893 E894 Q895 | Q887-H891 WeakPolarHBondContact O-CB 3.36Å; Q887-H891 PolarHBondContact O-N 2.86Å; N888-H891 PolarHBondContact O-N 3.1Å; L889-H891 PolarHBondContact O-N 2.73Å; H891-I893 PolarHBondContact O-N 2.79Å; H891-E894 PolarHBondContact O-N 2.95Å; H891-Q895 PolarHBondContact O-N 3.07Å |
| 892 | T | 91.6 | Very high | 89.9 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 176 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | L810 N888 L889 H890 Q895 Y896 | L810-T892 HydrophobicContact CD1-CG2 3.92Å; N888-T892 PolarHBondContact O-N 3.41Å; N888-T892 PolarHBondContact O-OG1 2.99Å; L889-T892 PolarHBondContact O-N 3.22Å; H890-T892 VanDerWaalsContact C-N 3.34Å; H890-T892 PolarHBondContact O-N 3.18Å; T892-Q895 PolarHBondContact O-N 3.43Å; T892-Y896 HydrophobicContact CG2-CE2 4.22Å; T892-Y896 PolarHBondContact O-N 2.97Å |
| 893 | I | 91.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 176 | -69.9 | 161.1 | 0 | 0 | 0 | 111.2 | I807 L810 Q811 K814 L889 H890 H891 Q895 Y896 K897 | I807-I893 HydrophobicContact CG2-CG2 4.44Å; L810-I893 HydrophobicContact CB-CD1 4.06Å; L810-I893 HydrophobicContact CB-CG1 3.65Å; L810-I893 HydrophobicContact CD1-CG1 4.49Å; Q811-I893 HydrophobicContact CG-CD1 4.09Å; Q811-I893 HydrophobicContact CG-CG2 4.25Å; K814-I893 HydrophobicContact CB-CD1 4.08Å; K814-I893 HydrophobicContact CD-CD1 4.38Å; K814-I893 HydrophobicContact CG-CD1 4.46Å; L889-I893 WeakPolarHBondContact O-CD1 3.47Å; L889-I893 VanDerWaalsContact O-CG1 3.24Å; L889-I893 WeakPolarHBondContact O-CG1 3.08Å; L889-I893 PolarHBondContact O-N 2.87Å; H890-I893 PolarHBondContact O-N 3.44Å; H891-I893 PolarHBondContact O-N 2.79Å; I893-Q895 VanDerWaalsContact C-N 3.35Å; I893-Y896 PolarHBondContact O-N 3.09Å; I893-K897 HydrophobicContact CG2-CD 4.14Å; I893-K897 WeakPolarHBondContact O-CB 3.28Å; I893-K897 WeakPolarHBondContact O-CG 3.36Å; I893-K897 PolarHBondContact O-N 2.74Å |
| 894 | E | 90.9 | Very high | 90.3 | Very high | 74 Ų | 74 | 73.8 Ų | 73.8 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.5 | -32.8 | 177.2 | -58.3 | -40.7 | 122.3 | 0 | 0 | 112.4 | H890 H891 K897 K898 | H890-E894 IonicContact CE1-OE1 3.74Å; H890-E894 PolarHBondContact CE1-OE1 3.19Å; H890-E894 IonicContact ND1-OE1 2.96Å; H890-E894 PolarHBondContact ND1-OE1 3.21Å; H890-E894 WeakPolarHBondContact O-CG 3.35Å; H890-E894 PolarHBondContact O-N 3.13Å; H891-E894 PolarHBondContact O-N 2.95Å; E894-K897 PolarHBondContact O-N 3.45Å; E894-K897 IonicContact OE1-NZ 3.62Å; E894-K897 PolarHBondContact OE1-NZ 2.82Å; E894-K897 WeakPolarHBondContact OE2-CD 3.29Å; E894-K897 IonicContact OE2-NZ 3.43Å; E894-K897 PolarHBondContact OE2-NZ 3.21Å; E894-K898 PolarHBondContact O-N 2.82Å |
| 895 | Q | 91.5 | Very high | 90.3 | Very high | 100 Ų | 100 | 73.7 Ų | 73.7 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 171.3 | -174.9 | 177.4 | -5.8 | 0 | 0 | 111.4 | H891 T892 I893 K897 K898 D899 | H891-Q895 PolarHBondContact O-N 3.07Å; T892-Q895 PolarHBondContact O-N 3.43Å; I893-Q895 VanDerWaalsContact C-N 3.35Å; Q895-K897 VanDerWaalsContact C-N 3.3Å; Q895-K897 PolarHBondContact O-N 3.24Å; Q895-K898 WeakPolarHBondContact O-CA 3.44Å; Q895-K898 WeakPolarHBondContact O-CB 3.39Å; Q895-K898 PolarHBondContact O-N 3.43Å; Q895-D899 PolarHBondContact O-N 3.21Å |
| 896 | Y | 93 | Very high | 90.4 | Very high | 71 Ų | 71 | 73.9 Ų | 73.9 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -30.7 | 178.5 | -71.7 | -10.1 | 0 | 0 | 0 | 113.3 | L803 R806 I807 L810 T892 I893 L900 | L803-Y896 HydrophobicContact CD1-CD1 4.2Å; L803-Y896 HydrophobicContact CD1-CD2 4.13Å; L803-Y896 HydrophobicContact CD1-CG 3.87Å; R806-Y896 HydrophobicContact CG-CD2 4.23Å; R806-Y896 HydrophobicContact CG-CE2 3.81Å; I807-Y896 HydrophobicContact CG1-CD2 4.45Å; L810-Y896 HydrophobicContact CD1-CD2 3.72Å; L810-Y896 HydrophobicContact CD1-CE2 3.64Å; T892-Y896 HydrophobicContact CG2-CE2 4.22Å; T892-Y896 PolarHBondContact O-N 2.97Å; I893-Y896 PolarHBondContact O-N 3.09Å; Y896-L900 WeakPolarHBondContact O-CB 3.37Å; Y896-L900 PolarHBondContact O-N 2.72Å |
| 897 | K | 92 | Very high | 90.4 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 169.1 | -78.1 | 164.5 | 164 | 179.6 | 0 | 112.2 | I893 E894 Q895 L900 A901 | I893-K897 HydrophobicContact CG2-CD 4.14Å; I893-K897 WeakPolarHBondContact O-CB 3.28Å; I893-K897 WeakPolarHBondContact O-CG 3.36Å; I893-K897 PolarHBondContact O-N 2.74Å; E894-K897 PolarHBondContact O-N 3.45Å; E894-K897 IonicContact OE1-NZ 3.62Å; E894-K897 PolarHBondContact OE1-NZ 2.82Å; E894-K897 WeakPolarHBondContact OE2-CD 3.29Å; E894-K897 IonicContact OE2-NZ 3.43Å; E894-K897 PolarHBondContact OE2-NZ 3.21Å; Q895-K897 VanDerWaalsContact C-N 3.3Å; Q895-K897 PolarHBondContact O-N 3.24Å; K897-L900 PolarHBondContact O-N 3.5Å; K897-A901 WeakPolarHBondContact O-CB 3.4Å; K897-A901 PolarHBondContact O-N 2.77Å |
| 898 | K | 91.5 | Very high | 90.3 | Very high | 120 Ų | 120 | 72.2 Ų | 72.2 | 52% | 0.522 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 175.5 | -178.8 | 177.4 | 174 | -67.1 | 0 | 111 | E894 Q895 L900 A901 E902 | E894-K898 PolarHBondContact O-N 2.82Å; Q895-K898 WeakPolarHBondContact O-CA 3.44Å; Q895-K898 WeakPolarHBondContact O-CB 3.39Å; Q895-K898 PolarHBondContact O-N 3.43Å; K898-L900 VanDerWaalsContact C-N 3.27Å; K898-L900 PolarHBondContact O-N 3.22Å; K898-A901 PolarHBondContact O-N 3.38Å; K898-A901 VanDerWaalsContact O-N 3.15Å; K898-E902 WeakPolarHBondContact CE-OE1 3.39Å; K898-E902 IonicContact NZ-OE1 3.75Å; K898-E902 PolarHBondContact NZ-OE1 3.07Å; K898-E902 IonicContact NZ-OE2 2.63Å; K898-E902 WeakPolarHBondContact O-CG 3.49Å; K898-E902 PolarHBondContact O-N 3.14Å |
| 899 | D | 89.9 | Confident | 90.2 | Very high | 41 Ų | 41 | 72.1 Ų | 72.1 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.5 | -40.1 | 174.9 | -65.4 | 2.9 | 0 | 0 | 0 | 111.8 | L803 Q895 R903 | L803-D899 HydrophobicContact CD2-CB 4.01Å; Q895-D899 PolarHBondContact O-N 3.21Å; D899-R903 WeakPolarHBondContact O-CG 3.44Å; D899-R903 PolarHBondContact O-N 2.61Å; D899-R903 VanDerWaalsContact O-N 3.1Å |
| 900 | L | 91.1 | Very high | 90.1 | Very high | 28 Ų | 28 | 71.9 Ų | 71.9 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68 | -40.3 | 176.7 | -175.5 | 64 | 0 | 0 | 0 | 112.1 | N800 L803 I807 Y896 K897 K898 R903 N904 | N800-L900 HydrophobicContact CB-CD1 3.77Å; L803-L900 HydrophobicContact CD2-CB 3.87Å; L803-L900 HydrophobicContact CD2-CD1 4.32Å; I807-L900 HydrophobicContact CD1-CB 4.35Å; I807-L900 HydrophobicContact CD1-CD2 3.91Å; Y896-L900 WeakPolarHBondContact O-CB 3.37Å; Y896-L900 PolarHBondContact O-N 2.72Å; K897-L900 PolarHBondContact O-N 3.5Å; K898-L900 VanDerWaalsContact C-N 3.27Å; K898-L900 PolarHBondContact O-N 3.22Å; L900-R903 PolarHBondContact O-N 3.42Å; L900-N904 WeakPolarHBondContact O-CB 3.38Å; L900-N904 VanDerWaalsContact O-CG 3.23Å; L900-N904 PolarHBondContact O-N 3.45Å; L900-N904 PolarHBondContact O-ND2 3.2Å |
| 901 | A | 89.3 | Confident | 89.9 | Confident | 57 Ų | 57 | 70 Ų | 70 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K897 K898 R903 N904 Q905 | K897-A901 WeakPolarHBondContact O-CB 3.4Å; K897-A901 PolarHBondContact O-N 2.77Å; K898-A901 PolarHBondContact O-N 3.38Å; K898-A901 VanDerWaalsContact O-N 3.15Å; A901-R903 PolarHBondContact O-N 3Å; A901-N904 PolarHBondContact O-N 3.36Å; A901-Q905 PolarHBondContact O-N 2.95Å |
| 902 | E | 89.6 | Confident | 89.7 | Confident | 97 Ų | 97 | 69 Ų | 69 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 176.6 | -73.2 | 173.9 | -169.7 | 0 | 0 | 112.1 | K898 Q905 L906 | K898-E902 WeakPolarHBondContact CE-OE1 3.39Å; K898-E902 IonicContact NZ-OE1 3.75Å; K898-E902 PolarHBondContact NZ-OE1 3.07Å; K898-E902 IonicContact NZ-OE2 2.63Å; K898-E902 WeakPolarHBondContact O-CG 3.49Å; K898-E902 PolarHBondContact O-N 3.14Å; E902-Q905 PolarHBondContact O-N 2.9Å; E902-L906 PolarHBondContact O-N 3.26Å |
| 903 | R | 89.4 | Confident | 89.5 | Confident | 86 Ų | 86 | 72.4 Ų | 72.4 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.7 | -34.6 | 175.3 | -67.5 | 175.1 | -159.8 | 173.1 | 11 | 113.2 | I796 N800 D899 L900 A901 Q905 L906 I907 | I796-R903 HydrophobicContact CG2-CB 4.19Å; N800-R903 WeakPolarHBondContact ND2-CB 3.43Å; N800-R903 WeakPolarHBondContact OD1-CB 3.4Å; N800-R903 WeakPolarHBondContact OD1-CD 3.23Å; D899-R903 WeakPolarHBondContact O-CG 3.44Å; D899-R903 PolarHBondContact O-N 2.61Å; D899-R903 VanDerWaalsContact O-N 3.1Å; L900-R903 PolarHBondContact O-N 3.42Å; A901-R903 PolarHBondContact O-N 3Å; R903-Q905 VanDerWaalsContact C-N 3.33Å; R903-L906 WeakPolarHBondContact O-CB 3.39Å; R903-L906 PolarHBondContact O-N 3.07Å; R903-I907 PolarHBondContact O-N 3.21Å |
| 904 | N | 88.9 | Confident | 89.5 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 173.1 | -74.2 | -18.4 | 0 | 0 | 0 | 111.1 | N800 L900 A901 L906 I907 T908 | N800-N904 PolarHBondContact ND2-OD1 2.97Å; L900-N904 WeakPolarHBondContact O-CB 3.38Å; L900-N904 VanDerWaalsContact O-CG 3.23Å; L900-N904 PolarHBondContact O-N 3.45Å; L900-N904 PolarHBondContact O-ND2 3.2Å; A901-N904 PolarHBondContact O-N 3.36Å; N904-L906 VanDerWaalsContact C-N 3.32Å; N904-L906 PolarHBondContact O-N 3.34Å; N904-I907 PolarHBondContact O-N 3.08Å; N904-T908 PolarHBondContact O-N 2.7Å; N904-T908 PolarHBondContact O-OG1 3.37Å |
| 905 | Q | 89.4 | Confident | 89.3 | Confident | 124 Ų | 124 | 77 Ų | 77 | 58% | 0.579 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.9 | -38.8 | 171.2 | -172.2 | 177.5 | 3.8 | 0 | 0 | 112 | A901 E902 R903 T908 N909 | A901-Q905 PolarHBondContact O-N 2.95Å; E902-Q905 PolarHBondContact O-N 2.9Å; R903-Q905 VanDerWaalsContact C-N 3.33Å; Q905-T908 WeakPolarHBondContact O-CB 3.01Å; Q905-T908 PolarHBondContact O-N 2.87Å; Q905-N909 VanDerWaalsContact O-CG 3.26Å; Q905-N909 PolarHBondContact O-N 2.84Å; Q905-N909 PolarHBondContact O-OD1 2.98Å |
| 906 | L | 89 | Confident | 89.1 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 174 | -177.1 | 61.3 | 0 | 0 | 0 | 112.5 | I796 E902 R903 N904 N909 L910 | I796-L906 HydrophobicContact CD1-CD2 3.75Å; I796-L906 HydrophobicContact CD1-CG 3.99Å; E902-L906 PolarHBondContact O-N 3.26Å; R903-L906 WeakPolarHBondContact O-CB 3.39Å; R903-L906 PolarHBondContact O-N 3.07Å; N904-L906 VanDerWaalsContact C-N 3.32Å; N904-L906 PolarHBondContact O-N 3.34Å; L906-N909 PolarHBondContact O-N 3.3Å; L906-L910 HydrophobicContact CD1-CD1 4.31Å; L906-L910 HydrophobicContact CD1-CG 4.45Å; L906-L910 HydrophobicContact CG-CD1 4.04Å; L906-L910 WeakPolarHBondContact O-CD1 3.43Å; L906-L910 VanDerWaalsContact O-CG 3.31Å; L906-L910 WeakPolarHBondContact O-CG 3.14Å; L906-L910 PolarHBondContact O-N 3.36Å |
| 907 | I | 88.1 | Confident | 88.9 | Confident | 28 Ų | 28 | 75.4 Ų | 75.4 | 14% | 0.144 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 173.2 | -67.6 | 172.3 | 0 | 0 | 0 | 110.8 | I796 E797 N800 R903 N904 L910 T911 | I796-I907 HydrophobicContact CB-CD1 4.36Å; I796-I907 HydrophobicContact CB-CG1 4.11Å; I796-I907 HydrophobicContact CG2-CD1 3.86Å; I796-I907 HydrophobicContact CG2-CG1 3.72Å; E797-I907 HydrophobicContact CG-CD1 4.01Å; N800-I907 WeakPolarHBondContact ND2-CD1 3.12Å; R903-I907 PolarHBondContact O-N 3.21Å; N904-I907 PolarHBondContact O-N 3.08Å; I907-L910 PolarHBondContact O-N 2.9Å; I907-T911 WeakPolarHBondContact O-CB 3.44Å; I907-T911 PolarHBondContact O-N 2.87Å; I907-T911 PolarHBondContact O-OG1 3.34Å |
| 908 | T | 87.1 | Confident | 88.6 | Confident | 72 Ų | 72 | 77 Ų | 77 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58 | -51.6 | 175.9 | -55 | 0 | 0 | 0 | 0 | 111.3 | N904 Q905 L910 T911 E912 | N904-T908 PolarHBondContact O-N 2.7Å; N904-T908 PolarHBondContact O-OG1 3.37Å; Q905-T908 WeakPolarHBondContact O-CB 3.01Å; Q905-T908 PolarHBondContact O-N 2.87Å; T908-L910 VanDerWaalsContact C-N 3.33Å; T908-L910 PolarHBondContact O-N 3.06Å; T908-T911 WeakPolarHBondContact O-CB 3.37Å; T908-T911 PolarHBondContact O-N 3.19Å; T908-E912 PolarHBondContact O-N 3.43Å |
| 909 | N | 88.7 | Confident | 88.5 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | -179.7 | -64.1 | -4 | 0 | 0 | 0 | 112.4 | Q905 L906 Q913 | Q905-N909 VanDerWaalsContact O-CG 3.26Å; Q905-N909 PolarHBondContact O-N 2.84Å; Q905-N909 PolarHBondContact O-OD1 2.98Å; L906-N909 PolarHBondContact O-N 3.3Å; N909-Q913 PolarHBondContact O-N 3.48Å; N909-Q913 VanDerWaalsContact O-N 3.13Å |
| 910 | L | 87.3 | Confident | 88.4 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 175.8 | -70.9 | 164 | 0 | 0 | 0 | 112.1 | M789 H792 I796 L906 I907 T908 Q913 Y914 | M789-L910 HydrophobicContact CE-CB 4.39Å; M789-L910 HydrophobicContact CE-CD2 3.99Å; M789-L910 WeakPolarHBondContact CE-O 2.9Å; H792-L910 VanDerWaalsContact ND1-CD1 3.31Å; H792-L910 WeakPolarHBondContact ND1-CD1 3.48Å; I796-L910 HydrophobicContact CD1-CD1 3.41Å; I796-L910 VanDerWaalsContact CD1-CD1 3.41Å; L906-L910 HydrophobicContact CD1-CD1 4.31Å; L906-L910 HydrophobicContact CD1-CG 4.45Å; L906-L910 HydrophobicContact CG-CD1 4.04Å; L906-L910 WeakPolarHBondContact O-CD1 3.43Å; L906-L910 VanDerWaalsContact O-CG 3.31Å; L906-L910 WeakPolarHBondContact O-CG 3.14Å; L906-L910 PolarHBondContact O-N 3.36Å; I907-L910 PolarHBondContact O-N 2.9Å; T908-L910 VanDerWaalsContact C-N 3.33Å; T908-L910 PolarHBondContact O-N 3.06Å; L910-Q913 PolarHBondContact O-N 3.01Å; L910-Y914 WeakPolarHBondContact O-CB 3.23Å; L910-Y914 PolarHBondContact O-N 2.74Å |
| 911 | T | 86.1 | Confident | 88.3 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 36% | 0.362 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | I907 T908 Y914 Q915 | I907-T911 WeakPolarHBondContact O-CB 3.44Å; I907-T911 PolarHBondContact O-N 2.87Å; I907-T911 PolarHBondContact O-OG1 3.34Å; T908-T911 WeakPolarHBondContact O-CB 3.37Å; T908-T911 PolarHBondContact O-N 3.19Å; T911-Y914 PolarHBondContact O-N 3.16Å; T911-Q915 WeakPolarHBondContact O-CG 3.29Å; T911-Q915 PolarHBondContact O-N 3.23Å |
| 912 | E | 88 | Confident | 88.1 | Confident | 114 Ų | 114 | 79.7 Ų | 79.7 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 173.6 | -71.8 | 177.7 | -174.2 | 0 | 0 | 111.8 | T908 Q915 L916 | T908-E912 PolarHBondContact O-N 3.43Å; E912-Q915 PolarHBondContact O-N 2.96Å; E912-L916 WeakPolarHBondContact O-CG 3.38Å; E912-L916 PolarHBondContact O-N 3.37Å; E912-L916 VanDerWaalsContact O-N 3.11Å |
| 913 | Q | 87.5 | Confident | 88 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 54% | 0.542 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 175.2 | -79.5 | -172.2 | -9.2 | 0 | 0 | 112.6 | M789 N909 L910 Q915 L916 I917 | M789-Q913 HydrophobicContact CE-CB 3.47Å; M789-Q913 VanDerWaalsContact CE-CB 3.47Å; M789-Q913 HydrophobicContact SD-CB 4.33Å; N909-Q913 PolarHBondContact O-N 3.48Å; N909-Q913 VanDerWaalsContact O-N 3.13Å; L910-Q913 PolarHBondContact O-N 3.01Å; Q913-Q915 VanDerWaalsContact C-N 3.3Å; Q913-Q915 PolarHBondContact O-N 3.35Å; Q913-L916 WeakPolarHBondContact O-CB 3.16Å; Q913-L916 PolarHBondContact O-N 3.46Å; Q913-I917 PolarHBondContact O-N 3.46Å |
| 914 | Y | 90.4 | Very high | 87.8 | Confident | 72 Ų | 72 | 78.8 Ų | 78.8 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 174.2 | -179.7 | -83.4 | 0 | 0 | 0 | 111.2 | L786 M789 R790 L910 T911 L916 Y918 | L786-Y914 HydrophobicContact CB-CE2 4.08Å; L786-Y914 HydrophobicContact CD2-CD1 4.34Å; L786-Y914 HydrophobicContact CD2-CD2 3.48Å; L786-Y914 VanDerWaalsContact CD2-CD2 3.48Å; L786-Y914 HydrophobicContact CD2-CE1 4.4Å; L786-Y914 HydrophobicContact CD2-CE2 3.57Å; L786-Y914 HydrophobicContact CD2-CG 3.89Å; L786-Y914 WeakPolarHBondContact CD2-O 3.49Å; L786-Y914 HydrophobicContact CG-CE2 4.44Å; M789-Y914 HydrophobicContact CB-CD2 4.37Å; R790-Y914 HydrophobicContact CB-CE2 4.26Å; L910-Y914 WeakPolarHBondContact O-CB 3.23Å; L910-Y914 PolarHBondContact O-N 2.74Å; T911-Y914 PolarHBondContact O-N 3.16Å; Y914-L916 VanDerWaalsContact C-N 3.3Å; Y914-L916 PolarHBondContact O-N 3.32Å; Y914-Y918 WeakPolarHBondContact O-CB 2.89Å; Y914-Y918 PolarHBondContact O-N 2.78Å |
| 915 | Q | 87.7 | Confident | 87.7 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 48% | 0.477 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.3 | -27.1 | 175.3 | -72.7 | -179.7 | 30.9 | 0 | 0 | 113.8 | T911 E912 Q913 K919 | T911-Q915 WeakPolarHBondContact O-CG 3.29Å; T911-Q915 PolarHBondContact O-N 3.23Å; E912-Q915 PolarHBondContact O-N 2.96Å; Q913-Q915 VanDerWaalsContact C-N 3.3Å; Q913-Q915 PolarHBondContact O-N 3.35Å; Q915-K919 WeakPolarHBondContact O-CD 3.28Å; Q915-K919 VanDerWaalsContact O-CG 3.26Å; Q915-K919 WeakPolarHBondContact O-CG 3.17Å; Q915-K919 PolarHBondContact O-N 2.46Å |
| 916 | L | 88.1 | Confident | 87.5 | Confident | 110 Ų | 110 | 78.2 Ų | 78.2 | 58% | 0.576 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.9 | -54.9 | 174.6 | -70.4 | 168.3 | 0 | 0 | 0 | 110.9 | E912 Q913 Y914 Y918 K919 E920 | E912-L916 WeakPolarHBondContact O-CG 3.38Å; E912-L916 PolarHBondContact O-N 3.37Å; E912-L916 VanDerWaalsContact O-N 3.11Å; Q913-L916 WeakPolarHBondContact O-CB 3.16Å; Q913-L916 PolarHBondContact O-N 3.46Å; Y914-L916 VanDerWaalsContact C-N 3.3Å; Y914-L916 PolarHBondContact O-N 3.32Å; L916-Y918 PolarHBondContact O-N 2.83Å; L916-K919 WeakPolarHBondContact O-CB 3.34Å; L916-K919 PolarHBondContact O-N 2.52Å; L916-E920 PolarHBondContact O-N 3.27Å; L916-E920 VanDerWaalsContact O-N 3.12Å |
| 917 | I | 87.1 | Confident | 87.3 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 14% | 0.138 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -34.4 | 179.7 | -57.4 | 179.4 | 0 | 0 | 0 | 110.8 | L782 Q785 L786 M789 Q913 K919 E920 L921 | L782-I917 HydrophobicContact CB-CG2 4.42Å; L782-I917 HydrophobicContact CD2-CG2 3.84Å; Q785-I917 HydrophobicContact CB-CD1 4.3Å; L786-I917 HydrophobicContact CD1-CG2 4.1Å; L786-I917 HydrophobicContact CD2-CB 3.92Å; L786-I917 HydrophobicContact CD2-CG2 4Å; L786-I917 HydrophobicContact CG-CB 4.21Å; L786-I917 HydrophobicContact CG-CG2 3.7Å; M789-I917 HydrophobicContact SD-CD1 3.78Å; Q913-I917 PolarHBondContact O-N 3.46Å; I917-K919 PolarHBondContact O-N 2.85Å; I917-E920 PolarHBondContact O-N 2.86Å; I917-L921 WeakPolarHBondContact O-CB 3.42Å; I917-L921 PolarHBondContact O-N 3.03Å |
| 918 | Y | 87.5 | Confident | 87.2 | Confident | 118 Ų | 118 | 78.8 Ų | 78.8 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 175.6 | -174.1 | -104.4 | 0 | 0 | 0 | 113.2 | L786 Y914 L916 I922 | L786-Y918 HydrophobicContact CD1-CD2 4.33Å; Y914-Y918 WeakPolarHBondContact O-CB 2.89Å; Y914-Y918 PolarHBondContact O-N 2.78Å; L916-Y918 PolarHBondContact O-N 2.83Å; Y918-I922 HydrophobicContact CD1-CD1 3.96Å; Y918-I922 HydrophobicContact CE1-CD1 3.57Å; Y918-I922 WeakPolarHBondContact O-CG1 3.44Å; Y918-I922 PolarHBondContact O-N 3.03Å |
| 919 | K | 88.3 | Confident | 87 | Confident | 117 Ų | 117 | 83.6 Ų | 83.6 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 172.3 | -74 | 165 | -175.2 | 170 | 0 | 111.4 | Q915 L916 I917 I922 Q923 | Q915-K919 WeakPolarHBondContact O-CD 3.28Å; Q915-K919 VanDerWaalsContact O-CG 3.26Å; Q915-K919 WeakPolarHBondContact O-CG 3.17Å; Q915-K919 PolarHBondContact O-N 2.46Å; L916-K919 WeakPolarHBondContact O-CB 3.34Å; L916-K919 PolarHBondContact O-N 2.52Å; I917-K919 PolarHBondContact O-N 2.85Å; K919-I922 PolarHBondContact O-N 3.39Å; K919-Q923 WeakPolarHBondContact O-CG 3.49Å; K919-Q923 PolarHBondContact O-N 3.49Å; K919-Q923 VanDerWaalsContact O-N 3.1Å |
| 920 | E | 87.5 | Confident | 86.7 | Confident | 90 Ų | 90 | 84 Ų | 84 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 177.4 | -165.3 | 174.7 | 171.5 | 0 | 0 | 111.5 | L782 L916 I917 I922 Q923 Q924 | L782-E920 HydrophobicContact CD1-CB 4.45Å; L782-E920 HydrophobicContact CD1-CG 3.94Å; L782-E920 HydrophobicContact CD2-CB 4.48Å; L782-E920 HydrophobicContact CD2-CG 4.21Å; L916-E920 PolarHBondContact O-N 3.27Å; L916-E920 VanDerWaalsContact O-N 3.12Å; I917-E920 PolarHBondContact O-N 2.86Å; E920-I922 VanDerWaalsContact C-N 3.26Å; E920-I922 PolarHBondContact O-N 3.33Å; E920-Q923 WeakPolarHBondContact O-CB 3.46Å; E920-Q923 PolarHBondContact O-N 3.47Å; E920-Q924 WeakPolarHBondContact O-CG 3.48Å; E920-Q924 PolarHBondContact O-N 3.12Å |
| 921 | L | 88.7 | Confident | 86.5 | Confident | 11 Ų | 11 | 84.1 Ų | 84.1 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.6 | -36.1 | 174.1 | -175.9 | 67.1 | 0 | 0 | 0 | 112.9 | I779 L782 L786 I917 K925 | I779-L921 HydrophobicContact CB-CD1 4.48Å; I779-L921 HydrophobicContact CG2-CD1 3.99Å; I779-L921 WeakPolarHBondContact O-CD1 3.46Å; L782-L921 HydrophobicContact CB-CB 4.47Å; L782-L921 HydrophobicContact CB-CD1 3.99Å; L786-L921 HydrophobicContact CD1-CB 4.26Å; L786-L921 HydrophobicContact CD1-CD2 3.6Å; I917-L921 WeakPolarHBondContact O-CB 3.42Å; I917-L921 PolarHBondContact O-N 3.03Å; L921-K925 HydrophobicContact CD1-CD 4.34Å; L921-K925 HydrophobicContact CG-CD 4.19Å; L921-K925 WeakPolarHBondContact O-CB 3.49Å; L921-K925 VanDerWaalsContact O-CG 3.3Å; L921-K925 WeakPolarHBondContact O-CG 3.32Å; L921-K925 PolarHBondContact O-N 3.05Å; L921-K925 VanDerWaalsContact O-N 3.1Å |
| 922 | I | 86.3 | Confident | 86.2 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 43% | 0.426 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 175.2 | -72.2 | 168.2 | 0 | 0 | 0 | 111 | Y918 K919 E920 K925 Q926 | Y918-I922 HydrophobicContact CD1-CD1 3.96Å; Y918-I922 HydrophobicContact CE1-CD1 3.57Å; Y918-I922 WeakPolarHBondContact O-CG1 3.44Å; Y918-I922 PolarHBondContact O-N 3.03Å; K919-I922 PolarHBondContact O-N 3.39Å; E920-I922 VanDerWaalsContact C-N 3.26Å; E920-I922 PolarHBondContact O-N 3.33Å; I922-K925 PolarHBondContact O-N 3.22Å; I922-Q926 PolarHBondContact O-N 3.46Å |
| 923 | Q | 85.9 | Confident | 85.6 | Confident | 132 Ų | 132 | 85.8 Ų | 85.8 | 62% | 0.617 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.7 | -45.9 | 178.1 | -69.2 | 175 | 7.2 | 0 | 0 | 111.4 | K919 E920 Q926 L927 | K919-Q923 WeakPolarHBondContact O-CG 3.49Å; K919-Q923 PolarHBondContact O-N 3.49Å; K919-Q923 VanDerWaalsContact O-N 3.1Å; E920-Q923 WeakPolarHBondContact O-CB 3.46Å; E920-Q923 PolarHBondContact O-N 3.47Å; Q923-Q926 WeakPolarHBondContact O-CA 3.44Å; Q923-Q926 WeakPolarHBondContact O-CB 3.43Å; Q923-Q926 PolarHBondContact O-N 2.98Å; Q923-Q926 VanDerWaalsContact O-N 3.08Å; Q923-L927 PolarHBondContact O-N 3.17Å |
| 924 | Q | 86.3 | Confident | 85.1 | Confident | 33 Ų | 33 | 85.4 Ų | 85.4 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 179.6 | -65.7 | -72 | 35.8 | 0 | 0 | 112.1 | N775 E778 I779 L782 E920 Q926 L927 E928 | N775-Q924 PolarHBondContact ND2-O 3.46Å; N775-Q924 WeakPolarHBondContact OD1-CB 3.4Å; N775-Q924 PolarHBondContact OD1-O 2.96Å; N775-Q924 PolarHBondContact OD1-OE1 3.28Å; E778-Q924 PolarHBondContact OE2-NE2 2.84Å; I779-Q924 HydrophobicContact CD1-CB 4.32Å; I779-Q924 HydrophobicContact CG1-CB 3.68Å; L782-Q924 HydrophobicContact CD1-CB 4.48Å; L782-Q924 HydrophobicContact CD1-CG 3.86Å; E920-Q924 WeakPolarHBondContact O-CG 3.48Å; E920-Q924 PolarHBondContact O-N 3.12Å; Q924-Q926 VanDerWaalsContact C-N 3.26Å; Q924-Q926 PolarHBondContact O-N 3.28Å; Q924-L927 WeakPolarHBondContact O-CB 3.31Å; Q924-L927 PolarHBondContact O-N 3.17Å; Q924-L927 VanDerWaalsContact O-N 3.15Å; Q924-E928 PolarHBondContact O-N 3.28Å |
| 925 | K | 86.1 | Confident | 84.5 | Confident | 75 Ų | 75 | 82.8 Ų | 82.8 | 33% | 0.326 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.4 | -25.7 | 171.5 | -74.5 | 175.9 | 179.6 | 175.4 | 0 | 113.5 | I779 L921 I922 R929 | I779-K925 HydrophobicContact CD1-CG 3.97Å; I779-K925 HydrophobicContact CG1-CG 4.2Å; I779-K925 HydrophobicContact CG2-CG 4.12Å; L921-K925 HydrophobicContact CD1-CD 4.34Å; L921-K925 HydrophobicContact CG-CD 4.19Å; L921-K925 WeakPolarHBondContact O-CB 3.49Å; L921-K925 VanDerWaalsContact O-CG 3.3Å; L921-K925 WeakPolarHBondContact O-CG 3.32Å; L921-K925 PolarHBondContact O-N 3.05Å; L921-K925 VanDerWaalsContact O-N 3.1Å; I922-K925 PolarHBondContact O-N 3.22Å; K925-R929 WeakPolarHBondContact O-CG 3.44Å; K925-R929 PolarHBondContact O-N 3.49Å |
| 926 | Q | 85.7 | Confident | 83.8 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -76.3 | -39.6 | 171.3 | -172.9 | 171.4 | -5.1 | 0 | 0 | 111.6 | I922 Q923 Q924 E928 R929 N930 | I922-Q926 PolarHBondContact O-N 3.46Å; Q923-Q926 WeakPolarHBondContact O-CA 3.44Å; Q923-Q926 WeakPolarHBondContact O-CB 3.43Å; Q923-Q926 PolarHBondContact O-N 2.98Å; Q923-Q926 VanDerWaalsContact O-N 3.08Å; Q924-Q926 VanDerWaalsContact C-N 3.26Å; Q924-Q926 PolarHBondContact O-N 3.28Å; Q926-E928 VanDerWaalsContact C-N 3.33Å; Q926-E928 PolarHBondContact O-N 3.45Å; Q926-R929 PolarHBondContact O-N 2.89Å; Q926-N930 VanDerWaalsContact O-CG 3.3Å; Q926-N930 PolarHBondContact O-N 3.02Å |
| 927 | L | 84.8 | Confident | 82.6 | Confident | 78 Ų | 78 | 81 Ų | 81 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 171.9 | 179 | 61.2 | 0 | 0 | 0 | 111.8 | Q923 Q924 R929 N930 L931 | Q923-L927 PolarHBondContact O-N 3.17Å; Q924-L927 WeakPolarHBondContact O-CB 3.31Å; Q924-L927 PolarHBondContact O-N 3.17Å; Q924-L927 VanDerWaalsContact O-N 3.15Å; L927-R929 PolarHBondContact O-N 3.22Å; L927-N930 PolarHBondContact O-N 3.5Å; L927-L931 HydrophobicContact CD1-CD1 4.39Å; L927-L931 HydrophobicContact CD1-CG 4.31Å; L927-L931 HydrophobicContact CG-CD1 4.14Å; L927-L931 HydrophobicContact CG-CG 4.5Å; L927-L931 WeakPolarHBondContact O-CG 3.09Å; L927-L931 PolarHBondContact O-N 3.4Å |
| 928 | E | 86 | Confident | 81.5 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 177 | -167.6 | -151.5 | 158.9 | 0 | 0 | 110.8 | L772 N775 I779 Q924 Q926 N930 L931 R932 | L772-E928 HydrophobicContact CD1-CG 3.75Å; N775-E928 WeakPolarHBondContact ND2-CA 3.49Å; N775-E928 PolarHBondContact ND2-N 3.34Å; I779-E928 HydrophobicContact CD1-CB 3.8Å; I779-E928 HydrophobicContact CD1-CG 4.14Å; Q924-E928 PolarHBondContact O-N 3.28Å; Q926-E928 VanDerWaalsContact C-N 3.33Å; Q926-E928 PolarHBondContact O-N 3.45Å; E928-N930 VanDerWaalsContact C-N 3.34Å; E928-N930 PolarHBondContact O-N 2.85Å; E928-L931 PolarHBondContact O-N 3.05Å; E928-R932 WeakPolarHBondContact O-CG 2.95Å; E928-R932 PolarHBondContact O-N 3.06Å; E928-R932 IonicContact OE1-CZ 2.65Å; E928-R932 IonicContact OE1-NE 3.23Å; E928-R932 PolarHBondContact OE1-NE 3.23Å; E928-R932 IonicContact OE1-NH2 3.2Å; E928-R932 PolarHBondContact OE1-NH2 3.05Å |
| 929 | R | 83.9 | Confident | 80.3 | Confident | 172 Ų | 172 | 80.2 Ų | 80.2 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.9 | -44.8 | 174.4 | -70.5 | 167.9 | -176.9 | 165.4 | 0.4 | 111.6 | K925 Q926 L927 L931 R932 T933 | K925-R929 WeakPolarHBondContact O-CG 3.44Å; K925-R929 PolarHBondContact O-N 3.49Å; Q926-R929 PolarHBondContact O-N 2.89Å; L927-R929 PolarHBondContact O-N 3.22Å; R929-L931 PolarHBondContact O-N 3.32Å; R929-R932 PolarHBondContact O-N 3.07Å; R929-T933 PolarHBondContact O-N 3.46Å; R929-T933 PolarHBondContact O-OG1 3.34Å |
| 930 | N | 81.1 | Confident | 78.5 | Confident | 87 Ų | 87 | 79.1 Ų | 79.1 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.4 | -69.2 | -14.2 | 0 | 0 | 0 | 112.3 | Q926 L927 E928 K934 | Q926-N930 VanDerWaalsContact O-CG 3.3Å; Q926-N930 PolarHBondContact O-N 3.02Å; L927-N930 PolarHBondContact O-N 3.5Å; E928-N930 VanDerWaalsContact C-N 3.34Å; E928-N930 PolarHBondContact O-N 2.85Å; N930-K934 PolarHBondContact O-N 3.15Å |
| 931 | L | 82.9 | Confident | 76.6 | Confident | 20 Ų | 20 | 76.4 Ų | 76.4 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 174.8 | -72.1 | 170.6 | 0 | 0 | 0 | 111.7 | L768 L771 L772 N775 L927 E928 R929 K934 L935 | L768-L931 HydrophobicContact CD2-CD2 4.3Å; L771-L931 HydrophobicContact CB-CD1 4.31Å; L771-L931 HydrophobicContact CB-CD2 4.26Å; L772-L931 HydrophobicContact CD1-CB 4.03Å; N775-L931 HydrophobicContact CB-CD1 4.43Å; L927-L931 HydrophobicContact CD1-CD1 4.39Å; L927-L931 HydrophobicContact CD1-CG 4.31Å; L927-L931 HydrophobicContact CG-CD1 4.14Å; L927-L931 HydrophobicContact CG-CG 4.5Å; L927-L931 WeakPolarHBondContact O-CG 3.09Å; L927-L931 PolarHBondContact O-N 3.4Å; E928-L931 PolarHBondContact O-N 3.05Å; R929-L931 PolarHBondContact O-N 3.32Å; L931-K934 PolarHBondContact O-N 3.48Å; L931-L935 WeakPolarHBondContact O-CB 3.32Å; L931-L935 PolarHBondContact O-N 3.46Å |
| 932 | R | 80.7 | Confident | 74.5 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 173.9 | -71.6 | -176.7 | -172.5 | -78 | -1.5 | 112.1 | L772 E928 R929 K934 L935 N936 | L772-R932 HydrophobicContact CD1-CG 3.89Å; L772-R932 HydrophobicContact CD2-CG 4.09Å; E928-R932 WeakPolarHBondContact O-CG 2.95Å; E928-R932 PolarHBondContact O-N 3.06Å; E928-R932 IonicContact OE1-CZ 2.65Å; E928-R932 IonicContact OE1-NE 3.23Å; E928-R932 PolarHBondContact OE1-NE 3.23Å; E928-R932 IonicContact OE1-NH2 3.2Å; E928-R932 PolarHBondContact OE1-NH2 3.05Å; R929-R932 PolarHBondContact O-N 3.07Å; R932-K934 VanDerWaalsContact C-N 3.34Å; R932-K934 PolarHBondContact O-N 3.27Å; R932-L935 PolarHBondContact O-N 3.46Å; R932-N936 WeakPolarHBondContact O-CB 3.44Å; R932-N936 VanDerWaalsContact O-CG 3.26Å; R932-N936 PolarHBondContact O-N 3.07Å; R932-N936 PolarHBondContact O-OD1 3.5Å |
| 933 | T | 75.9 | Confident | 72.1 | Confident | 96 Ų | 96 | 80.8 Ų | 80.8 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | R929 Y937 | R929-T933 PolarHBondContact O-N 3.46Å; R929-T933 PolarHBondContact O-OG1 3.34Å; T933-Y937 WeakPolarHBondContact O-CB 3.44Å; T933-Y937 PolarHBondContact O-N 2.84Å; T933-Y937 VanDerWaalsContact O-N 3.07Å |
| 934 | K | 75.8 | Confident | 69.4 | Low | 109 Ų | 109 | 76 Ų | 76 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 172.6 | -77.1 | -170.5 | 174.7 | -170.1 | 0 | 111.9 | L768 N930 L931 R932 N936 Y937 Y938 | L768-K934 HydrophobicContact CD1-CB 4.45Å; L768-K934 HydrophobicContact CD2-CB 4.38Å; L768-K934 HydrophobicContact CD2-CD 4.4Å; N930-K934 PolarHBondContact O-N 3.15Å; L931-K934 PolarHBondContact O-N 3.48Å; R932-K934 VanDerWaalsContact C-N 3.34Å; R932-K934 PolarHBondContact O-N 3.27Å; K934-N936 PolarHBondContact O-N 3.16Å; K934-Y937 WeakPolarHBondContact O-CB 3.41Å; K934-Y937 PolarHBondContact O-N 3.39Å; K934-Y938 WeakPolarHBondContact O-CD2 3.12Å; K934-Y938 PolarHBondContact O-N 3.47Å; K934-Y938 VanDerWaalsContact O-N 3.14Å |
| 935 | L | 78 | Confident | 66.7 | Low | 17 Ų | 17 | 75.3 Ų | 75.3 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | -179.4 | -177.1 | 63.4 | 0 | 0 | 0 | 111.7 | V765 N769 L772 L931 R932 Y937 Y938 I939 | V765-L935 HydrophobicContact CG1-CD1 4.16Å; N769-L935 WeakPolarHBondContact OD1-CD2 3.14Å; L772-L935 HydrophobicContact CD2-CD2 4.07Å; L931-L935 WeakPolarHBondContact O-CB 3.32Å; L931-L935 PolarHBondContact O-N 3.46Å; R932-L935 PolarHBondContact O-N 3.46Å; L935-Y937 VanDerWaalsContact C-N 3.32Å; L935-Y937 PolarHBondContact O-N 3.08Å; L935-Y938 PolarHBondContact O-N 3.13Å; L935-I939 HydrophobicContact CD1-CD1 4.31Å; L935-I939 HydrophobicContact CG-CD1 3.93Å; L935-I939 WeakPolarHBondContact O-CG1 3.48Å; L935-I939 PolarHBondContact O-N 3.4Å |
| 936 | N | 72.4 | Confident | 64 | Low | 89 Ų | 89 | 74.8 Ų | 74.8 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 174.3 | -72.3 | 13.4 | 0 | 0 | 0 | 111.2 | R932 K934 Y938 I939 D940 | R932-N936 WeakPolarHBondContact O-CB 3.44Å; R932-N936 VanDerWaalsContact O-CG 3.26Å; R932-N936 PolarHBondContact O-N 3.07Å; R932-N936 PolarHBondContact O-OD1 3.5Å; K934-N936 PolarHBondContact O-N 3.16Å; N936-Y938 VanDerWaalsContact C-N 3.35Å; N936-Y938 PolarHBondContact O-N 3.45Å; N936-I939 CarbonylContact O-C 3.59Å; N936-I939 PolarHBondContact O-N 3.14Å; N936-D940 WeakPolarHBondContact O-CB 3.49Å; N936-D940 VanDerWaalsContact O-CG 3.3Å; N936-D940 PolarHBondContact O-N 3.48Å |
| 937 | Y | 63.3 | Low | 61.3 | Low | 85 Ų | 85 | 73.9 Ų | 73.9 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 176.6 | -173.2 | -104.9 | 0 | 0 | 0 | 113 | Y485 T933 K934 L935 I939 V941 | Y485-Y937 AromaticContact CD1-CE1 3.99Å; Y485-Y937 HydrophobicContact CD1-CE1 3.99Å; Y485-Y937 AromaticContact CD1-CZ 3.9Å; Y485-Y937 WeakPolarHBondContact CD1-OH 3.33Å; Y485-Y937 AromaticContact CD2-CE1 3.85Å; Y485-Y937 HydrophobicContact CD2-CE1 3.85Å; Y485-Y937 HydrophobicContact CE1-CE1 4.1Å; Y485-Y937 AromaticContact CE2-CE1 3.96Å; Y485-Y937 HydrophobicContact CE2-CE1 3.96Å; Y485-Y937 AromaticContact CG-CE1 3.86Å; Y485-Y937 HydrophobicContact CG-CE1 3.86Å; T933-Y937 WeakPolarHBondContact O-CB 3.44Å; T933-Y937 PolarHBondContact O-N 2.84Å; T933-Y937 VanDerWaalsContact O-N 3.07Å; K934-Y937 WeakPolarHBondContact O-CB 3.41Å; K934-Y937 PolarHBondContact O-N 3.39Å; L935-Y937 VanDerWaalsContact C-N 3.32Å; L935-Y937 PolarHBondContact O-N 3.08Å; Y937-I939 VanDerWaalsContact C-N 3.33Å; Y937-I939 PolarHBondContact O-N 3.11Å; Y937-V941 WeakPolarHBondContact O-CG2 3.39Å; Y937-V941 PolarHBondContact O-N 3.26Å |
| 938 | Y | 64.2 | Low | 58.8 | Low | 44 Ų | 44 | 75.8 Ų | 75.8 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.2 | -27.2 | 173.3 | -83.3 | -87.2 | 0 | 0 | 0 | 113.6 | E764 V765 L768 K934 L935 N936 Q942 | E764-Y938 HydrophobicContact CB-CE1 4.23Å; E764-Y938 WeakPolarHBondContact OE2-CE1 3.38Å; E764-Y938 PolarHBondContact OE2-OH 3.06Å; V765-Y938 HydrophobicContact CG2-CD1 4.1Å; V765-Y938 HydrophobicContact CG2-CG 4.12Å; L768-Y938 HydrophobicContact CD1-CD2 3.54Å; L768-Y938 HydrophobicContact CD1-CE2 3.61Å; L768-Y938 HydrophobicContact CD1-CG 4.43Å; K934-Y938 WeakPolarHBondContact O-CD2 3.12Å; K934-Y938 PolarHBondContact O-N 3.47Å; K934-Y938 VanDerWaalsContact O-N 3.14Å; L935-Y938 PolarHBondContact O-N 3.13Å; N936-Y938 VanDerWaalsContact C-N 3.35Å; N936-Y938 PolarHBondContact O-N 3.45Å; Y938-Q942 WeakPolarHBondContact O-CG 3.43Å; Y938-Q942 PolarHBondContact O-N 3.26Å |
| 939 | I | 61.5 | Low | 56.1 | Low | 84 Ų | 84 | 79.3 Ų | 79.3 | 43% | 0.431 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -78.7 | -45.4 | 176.7 | -69.7 | 167.3 | 0 | 0 | 0 | 110.7 | L935 N936 Y937 V941 Q942 S943 | L935-I939 HydrophobicContact CD1-CD1 4.31Å; L935-I939 HydrophobicContact CG-CD1 3.93Å; L935-I939 WeakPolarHBondContact O-CG1 3.48Å; L935-I939 PolarHBondContact O-N 3.4Å; N936-I939 CarbonylContact O-C 3.59Å; N936-I939 PolarHBondContact O-N 3.14Å; Y937-I939 VanDerWaalsContact C-N 3.33Å; Y937-I939 PolarHBondContact O-N 3.11Å; I939-V941 PolarHBondContact O-N 2.97Å; I939-Q942 PolarHBondContact O-N 2.9Å; I939-S943 PolarHBondContact O-N 2.94Å; I939-S943 PolarHBondContact O-OG 3.08Å |
| 940 | D | 52.2 | Low | 53.3 | Low | 95 Ų | 95 | 76.7 Ų | 76.7 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 178.5 | -71.7 | -23.8 | 0 | 0 | 0 | 110.3 | N936 Q942 S943 T944 | N936-D940 WeakPolarHBondContact O-CB 3.49Å; N936-D940 VanDerWaalsContact O-CG 3.3Å; N936-D940 PolarHBondContact O-N 3.48Å; D940-Q942 PolarHBondContact O-N 3.1Å; D940-S943 CarbonylContact O-C 3.31Å; D940-S943 VanDerWaalsContact O-CA 3.23Å; D940-S943 WeakPolarHBondContact O-CA 3.46Å; D940-S943 WeakPolarHBondContact O-CB 3.39Å; D940-S943 PolarHBondContact O-N 3.26Å; D940-T944 PolarHBondContact O-N 2.92Å; D940-T944 PolarHBondContact O-OG1 3Å |
| 941 | V | 47.4 | Very low | 51.1 | Low | 33 Ų | 33 | 79.5 Ų | 79.5 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -75.9 | -24 | 179.7 | -173.5 | 0 | 0 | 0 | 0 | 113.5 | Y485 Y937 I939 S943 T944 | Y485-V941 HydrophobicContact CE1-CB 4.19Å; Y485-V941 HydrophobicContact CE1-CG1 3.85Å; Y485-V941 HydrophobicContact CE1-CG2 3.8Å; Y485-V941 VanDerWaalsContact OH-CB 3.27Å; Y485-V941 WeakPolarHBondContact OH-CB 3.45Å; Y485-V941 WeakPolarHBondContact OH-CG1 3.27Å; Y937-V941 WeakPolarHBondContact O-CG2 3.39Å; Y937-V941 PolarHBondContact O-N 3.26Å; I939-V941 PolarHBondContact O-N 2.97Å; V941-S943 PolarHBondContact O-N 2.92Å; V941-T944 PolarHBondContact O-N 2.92Å |
| 942 | Q | 44.8 | Very low | 48.6 | Very low | 117 Ų | 117 | 85.9 Ų | 85.9 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 0.4 | 163.2 | -74.8 | -172 | 39.6 | 0 | 0 | 112.9 | Y938 I939 D940 | Y938-Q942 WeakPolarHBondContact O-CG 3.43Å; Y938-Q942 PolarHBondContact O-N 3.26Å; I939-Q942 PolarHBondContact O-N 2.9Å; D940-Q942 PolarHBondContact O-N 3.1Å |
| 943 | S | 34.6 | Very low | 46.4 | Very low | 68 Ų | 68 | 88.1 Ų | 88.1 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 2.9 | 179.6 | -43.9 | 0 | 0 | 0 | 0 | 115.3 | I939 D940 V941 | I939-S943 PolarHBondContact O-N 2.94Å; I939-S943 PolarHBondContact O-OG 3.08Å; D940-S943 CarbonylContact O-C 3.31Å; D940-S943 VanDerWaalsContact O-CA 3.23Å; D940-S943 WeakPolarHBondContact O-CA 3.46Å; D940-S943 WeakPolarHBondContact O-CB 3.39Å; D940-S943 PolarHBondContact O-N 3.26Å; V941-S943 PolarHBondContact O-N 2.92Å |
| 944 | T | 29.6 | Very low | 44.4 | Very low | 33 Ų | 33 | 88.4 Ų | 88.4 | 20% | 0.202 | 47% | 0.466 | C | S | . | . | trans | -154.1 | 124.3 | -169.3 | 63 | 0 | 0 | 0 | 0 | 119.8 | N6 D940 V941 | N6-T944 WeakPolarHBondContact ND2-CB 3.27Å; N6-T944 WeakPolarHBondContact ND2-CG2 3.46Å; D940-T944 PolarHBondContact O-N 2.92Å; D940-T944 PolarHBondContact O-OG1 3Å; V941-T944 PolarHBondContact O-N 2.92Å | ||
| 945 | P | 30.3 | Very low | 42.4 | Very low | 17 Ų | 17 | 89.3 Ų | 89.3 | 11% | 0.11 | 48% | 0.48 | C | S | . | . | trans | -152.4 | 0 | 154.4 | 22.4 | 2.4 | 0 | 0 | 0 | 118.6 | N6 L7 P8 L9 | N6-P945 CarbonylContact C-O 3.45Å; N6-P945 VanDerWaalsContact CA-C 3.49Å; L7-P945 CarbonylContact C-O 3.52Å; L7-P945 VanDerWaalsContact C-O 3.31Å; L7-P945 WeakPolarHBondContact CA-O 3.33Å; L7-P945 PolarHBondContact N-O 3.28Å; P8-P945 HydrophobicContact CB-CB 4.49Å; P8-P945 HydrophobicContact CB-CG 4.16Å; P8-P945 WeakPolarHBondContact CD-O 3.39Å; L9-P945 HydrophobicContact CD1-CG 4.08Å | ||
| 946 | M | 30.1 | Very low | 40.3 | Very low | 64 Ų | 64 | 94 Ų | 94 | 32% | 0.315 | 51% | 0.505 | S | S | . | . | 0 | 133.9 | 0 | 69.1 | -164.4 | 156.7 | 0 | 0 | 124.5 | S3 S4 D5 N6 H948 | S3-M946 WeakPolarHBondContact O-CB 3.12Å; S3-M946 WeakPolarHBondContact O-CG 3.44Å; S4-M946 WeakPolarHBondContact O-CA 3.36Å; S4-M946 PolarHBondContact O-N 3.12Å; D5-M946 VanDerWaalsContact C-CA 3.46Å; D5-M946 VanDerWaalsContact CA-CG 3.44Å; D5-M946 HydrophobicContact CB-CG 4.3Å; D5-M946 WeakPolarHBondContact O-CE 3.49Å; D5-M946 WeakPolarHBondContact O-CG 3.31Å; D5-M946 WeakPolarHBondContact OD2-CE 3.37Å; N6-M946 HydrophobicContact CB-CB 3.62Å; N6-M946 HydrophobicContact CB-CG 3.83Å; N6-M946 HydrophobicContact CB-SD 3.55Å; N6-M946 VanDerWaalsContact CB-SD 3.55Å; N6-M946 WeakPolarHBondContact O-CB 3.42Å; M946-H948 PolarHBondContact O-N 3.47Å | |||
| 947 | K | 28.4 | Very low | 38.4 | Very low | 94 Ų | 94 | 98.8 Ų | 98.8 | 41% | 0.409 | 52% | 0.517 | S | S | . | . | -18 | 77.3 | 123.3 | -69.4 | 168.2 | -178 | 156.8 | 0 | 119.5 | S3 N6 L7 | S3-K947 CarbonylContact O-C 3.19Å; N6-K947 VanDerWaalsContact O-CG 3.29Å; N6-K947 WeakPolarHBondContact O-CG 3.41Å; N6-K947 PolarHBondContact O-N 3.38Å; L7-K947 HydrophobicContact CB-CG 4.37Å; L7-K947 HydrophobicContact CD1-CG 4.46Å; L7-K947 HydrophobicContact CD2-CG 3.85Å; L7-K947 HydrophobicContact CG-CB 4.01Å; L7-K947 HydrophobicContact CG-CG 3.56Å; L7-K947 VanDerWaalsContact N-N 3.13Å | |||
| 948 | H | 32.6 | Very low | 36.8 | Very low | 117 Ų | 117 | 101.2 Ų | 101.2 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | trans | -132.5 | 118.1 | 145.1 | -88.9 | -45.1 | 0 | 0 | 0 | 109.3 | T2 S3 M946 | T2-H948 PolarHBondContact O-NE2 3.07Å; S3-H948 WeakPolarHBondContact CA-NE2 3.19Å; S3-H948 WeakPolarHBondContact CB-NE2 3.46Å; S3-H948 PolarHBondContact O-CD2 3.38Å; S3-H948 PolarHBondContact OG-CE1 2.94Å; S3-H948 PolarHBondContact OG-NE2 3.1Å; M946-H948 PolarHBondContact O-N 3.47Å | ||
| 949 | T | 27.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 105.8 Ų | 105.8 | 69% | 0.693 | 57% | 0.568 | S | S | * | * | 58.7 | 135.9 | 95.4 | 68.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 950 | T | 26.9 | Very low | 33.7 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | cis | -126.2 | -170.7 | 32.7 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 951 | D | 34.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 108.1 Ų | 108.1 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | cis | -129.1 | 161.2 | 18.4 | -73 | -48.7 | 0 | 0 | 0 | 114.3 | ||||
| 952 | N | 29.2 | Very low | 31.7 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | trans | -102.2 | 150.4 | 168.4 | -64.6 | -64.7 | 0 | 0 | 0 | 109.8 | ||||
| 953 | D | 36.3 | Very low | 31.2 | Very low | 159 Ų | 159 | 113.7 Ų | 113.7 | 85% | 0.85 | 62% | 0.621 | S | S | * | * | trans | -138.5 | 166.1 | 135.6 | -141.5 | -28.2 | 0 | 0 | 0 | 110.2 | ||||
| 954 | T | 32.8 | Very low | 31.1 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | trans | -125.9 | 172.7 | -145.8 | 54.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 955 | T | 34.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | 88.2 | 143.6 | 169.3 | 76.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 956 | D | 35 | Very low | 31.5 | Very low | 114 Ų | 114 | 127 Ų | 127 | 61% | 0.61 | 67% | 0.673 | S | S | * | * | cis | -146.1 | 155.8 | -10.1 | -144.3 | 2.9 | 0 | 0 | 0 | 115.2 | ||||
| 957 | R | 31 | Very low | 31.7 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | trans | 27.7 | 128.7 | 151.8 | -79.3 | 166.2 | -175.4 | 136 | -7.5 | 124.9 | ||||
| 958 | N | 30.7 | Very low | 31.9 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | 60.5 | 116.5 | 125.2 | -55.6 | -7.9 | 0 | 0 | 0 | 121.1 | |||||
| 959 | T | 31.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | -165 | 162.2 | 97.1 | 12.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 960 | T | 28.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | -59.5 | 168.8 | 166.9 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 961 | T | 28.9 | Very low | 32.6 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | cis | -168 | 147.3 | 43.7 | -28.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 962 | T | 28.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | trans | 24.7 | 135.9 | 151 | 51.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 963 | H | 34.7 | Very low | 32.7 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | -175.4 | 128.9 | 104.4 | -96.6 | -85.1 | 0 | 0 | 0 | 107.9 | |||||
| 964 | K | 31 | Very low | 32.7 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | 68.3 | 138.3 | 72.5 | -80.5 | 175.5 | 156.6 | -86.7 | 0 | 113.2 | |||||
| 965 | E | 33.7 | Very low | 32.6 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | cis | -162.8 | 175.9 | -1.7 | -131.3 | 149.7 | -165.2 | 0 | 0 | 108.2 | ||||
| 966 | D | 35.1 | Very low | 32.5 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 59% | 0.594 | 69% | 0.693 | S | S | * | * | cis | -151.6 | -167.7 | 6.9 | -177.2 | 45.6 | 0 | 0 | 0 | 109.8 | N968 | D966-N968 VanDerWaalsContact CG-ND2 3.26Å; D966-N968 PolarHBondContact OD1-ND2 3.03Å; D966-N968 PolarHBondContact OD2-ND2 3.05Å | ||
| 967 | S | 34.7 | Very low | 32.5 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | trans | 87 | 92 | 165.5 | 71.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 968 | N | 31.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | 65.5 | 125.1 | 60 | -54 | -54.2 | 0 | 0 | 0 | 111.7 | D966 | D966-N968 VanDerWaalsContact CG-ND2 3.26Å; D966-N968 PolarHBondContact OD1-ND2 3.03Å; D966-N968 PolarHBondContact OD2-ND2 3.05Å | |||
| 969 | Y | 33.6 | Very low | 32.7 | Very low | 206 Ų | 206 | 131.6 Ų | 131.6 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | -147.3 | 134.4 | 56.5 | -106.8 | -114.7 | 0 | 0 | 0 | 116 | |||||
| 970 | I | 34.6 | Very low | 32.6 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | trans | 69.4 | 102.6 | 142 | -62.8 | -172.5 | 0 | 0 | 0 | 121.3 | ||||
| 971 | T | 33.6 | Very low | 32.6 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | -73 | 175 | 150.7 | -3.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 972 | P | 35.9 | Very low | 32.6 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | -161.8 | 139.7 | 63.3 | 39.4 | -14.6 | 0 | 0 | 0 | 121.2 | |||||
| 973 | M | 30.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | trans | 64.6 | 162.8 | 137.2 | -54.6 | -179.4 | 88.6 | 0 | 0 | 118 | Q975 | M973-Q975 HydrophobicContact CE-CG 4.46Š| ||
| 974 | K | 35.2 | Very low | 32.3 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | cis | -146.7 | 137.4 | 29.1 | -91.6 | -173.2 | 168.6 | -173.5 | 0 | 113.9 | ||||
| 975 | Q | 31.2 | Very low | 32.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | 55.9 | 144.4 | 119.2 | -62.2 | 176.6 | -46.4 | 0 | 0 | 120.2 | M973 | M973-Q975 HydrophobicContact CE-CG 4.46Š| |||
| 976 | S | 32.5 | Very low | 31.9 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | cis | -174.9 | 178.7 | -4 | 45.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 977 | N | 35.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | trans | 85.2 | 112.6 | 161.8 | -56.8 | -26.6 | 0 | 0 | 0 | 114.6 | ||||
| 978 | N | 31.8 | Very low | 31.3 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | 84.8 | 140.1 | 69.1 | -76.9 | -10.1 | 0 | 0 | 0 | 111.4 | |||||
| 979 | M | 33.4 | Very low | 31.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | cis | -154.6 | 160.4 | 15.5 | -130.9 | 175.5 | -177.7 | 0 | 0 | 111.8 | ||||
| 980 | N | 29.8 | Very low | 30.9 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 65% | 0.647 | 69% | 0.692 | S | S | * | * | 24.2 | 145.9 | 126.9 | -64.4 | 13.4 | 0 | 0 | 0 | 120.4 | |||||
| 981 | T | 29.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | cis | -171.7 | 157.9 | 4.4 | 18.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 982 | T | 28.6 | Very low | 30.6 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | trans | 54.2 | 122.6 | 143.4 | 59.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 983 | N | 28.8 | Very low | 30.2 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | 80.7 | 121.3 | 120.5 | -63.5 | 12.2 | 0 | 0 | 0 | 122.7 | |||||
| 984 | N | 28.9 | Very low | 30.1 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | 97.2 | 128.8 | 122.6 | -74 | 12.5 | 0 | 0 | 0 | 122.6 | |||||
| 985 | T | 28.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | trans | 66 | 93.5 | 138 | 55.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 986 | T | 28 | Very low | 29.7 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | 67.1 | 152.2 | 120.2 | 53.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 987 | T | 27.7 | Very low | 29.4 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 69% | 0.693 | 71% | 0.71 | S | S | * | * | trans | 69.9 | 95.2 | 156.3 | 43.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 988 | N | 28 | Very low | 29 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | 83 | 137.8 | 115.4 | -70 | -3.1 | 0 | 0 | 0 | 121.4 | |||||
| 989 | K | 29.2 | Very low | 29 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 67% | 0.665 | 72% | 0.716 | S | S | * | * | trans | 74 | 113.1 | 152.7 | -72.3 | -173.1 | 164.2 | -70.7 | 0 | 115.3 | ||||
| 990 | E | 29.3 | Very low | 28.6 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 66% | 0.659 | 72% | 0.717 | S | S | * | * | 79.6 | 132 | 90.8 | -75.3 | 160.4 | -160.2 | 0 | 0 | 111.1 | |||||
| 991 | D | 30.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | cis | -158.7 | -179.7 | 6.7 | -147.5 | -28.1 | 0 | 0 | 0 | 111.2 | ||||
| 992 | S | 30.1 | Very low | 28.5 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | 74.7 | 144.2 | 150.7 | 76.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 993 | T | 28.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | cis | -164.9 | 166.9 | -22.5 | 27.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 994 | L | 28.4 | Very low | 28.3 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | 74 | 140.4 | 162.1 | -60.2 | 135.7 | 0 | 0 | 0 | 117.1 | ||||
| 995 | S | 27.5 | Very low | 28.3 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | cis | -165.5 | 171.5 | -11.8 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 996 | L | 30.3 | Very low | 28.1 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | 82.5 | 146.3 | 170.3 | -62.4 | 167 | 0 | 0 | 0 | 116.5 | ||||
| 997 | P | 26.6 | Very low | 27.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | -117.7 | 161.6 | -126.8 | 40.4 | -32.8 | 0 | 0 | 0 | 116.5 | |||||
| 998 | N | 26.2 | Very low | 27.7 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -125.3 | -173.2 | 170.9 | -150.9 | 3.4 | 0 | 0 | 0 | 109.8 | ||||
| 999 | P | 31.4 | Very low | 27.7 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | -98.5 | 171.2 | -124.6 | 37 | -20.4 | 0 | 0 | 0 | 113.9 | |||||
| 1000 | N | 24.7 | Very low | 27.5 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -155 | 112.6 | 172.4 | -162 | 4.1 | 0 | 0 | 0 | 113.8 | ||||
| 1001 | P | 31.1 | Very low | 27.4 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -109.8 | 147.6 | 144.7 | 5.3 | 15.7 | 0 | 0 | 0 | 110.7 | ||||
| 1002 | Q | 25.9 | Very low | 27.3 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -90.9 | -169.5 | -166.2 | -59.5 | 167 | -82.1 | 0 | 0 | 113.8 | ||||
| 1003 | I | 27.3 | Very low | 27.4 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 83.9 | 83.7 | -179.9 | -49.4 | 167.3 | 0 | 0 | 0 | 111.6 | ||||
| 1004 | E | 27.2 | Very low | 27.6 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | 80.7 | 121.2 | 71.7 | -67.1 | -174.3 | 161.3 | 0 | 0 | 114.5 | |||||
| 1005 | S | 27.2 | Very low | 28 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -64.6 | 140 | -168.2 | 50.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1006 | I | 25.2 | Very low | 28.6 | Very low | 164 Ų | 164 | 128 Ų | 128 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | -129.5 | 123.4 | 145 | -62.7 | -177.7 | 0 | 0 | 0 | 109.2 | ||||
| 1007 | S | 24.1 | Very low | 29.5 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | trans | -85.8 | 135.8 | 168.1 | 42 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1008 | G | 23.4 | Very low | 30.7 | Very low | 61 Ų | 61 | 121.3 Ų | 121.3 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | trans | 96.2 | 91.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | N1010 | G1008-N1010 VanDerWaalsContact C-N 3.28Å; G1008-N1010 PolarHBondContact O-N 3Å | ||
| 1009 | M | 27.2 | Very low | 33 | Very low | 200 Ų | 200 | 117.6 Ų | 117.6 | 99% | 0.985 | 66% | 0.658 | S | S | * | * | trans | -77.7 | 81.8 | 157 | -80.1 | -164.2 | 167 | 0 | 0 | 110.2 | T1011 | M1009-T1011 PolarHBondContact O-N 3.48Š| ||
| 1010 | N | 25.8 | Very low | 35 | Very low | 122 Ų | 122 | 118 Ų | 118 | 65% | 0.652 | 65% | 0.654 | S | S | * | * | trans | -56.6 | 126.8 | 166.5 | -87.7 | -59.8 | 0 | 0 | 0 | 110.5 | G1008 N1012 | G1008-N1010 VanDerWaalsContact C-N 3.28Å; G1008-N1010 PolarHBondContact O-N 3Å; N1010-N1012 WeakPolarHBondContact O-CB 3.14Å; N1010-N1012 PolarHBondContact O-N 3.31Å | ||
| 1011 | T | 27.1 | Very low | 37.4 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | S | Bend | 16.4 | 43 | 118.8 | 49.9 | 0 | 0 | 0 | 0 | 119.4 | M1009 | M1009-T1011 PolarHBondContact O-N 3.48Š| |
| 1012 | N | 28.9 | Very low | 38.9 | Very low | 81 Ų | 81 | 113.9 Ų | 113.9 | 43% | 0.433 | 63% | 0.627 | S | S | . | * | trans | -130.3 | 44.6 | -170.6 | -125.2 | -21.9 | 0 | 0 | 0 | 114.9 | N1010 L1014 N1015 | N1010-N1012 WeakPolarHBondContact O-CB 3.14Å; N1010-N1012 PolarHBondContact O-N 3.31Å; N1012-L1014 PolarHBondContact O-N 3.03Å; N1012-N1015 PolarHBondContact ND2-ND2 3.27Å; N1012-N1015 PolarHBondContact O-N 3.18Å | ||
| 1013 | L | 32.2 | Very low | 40.7 | Very low | 98 Ų | 98 | 110.4 Ų | 110.4 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | 13 | 167.6 | -107.3 | 155.6 | 0 | 0 | 0 | 114.4 | R746 I1016 | R746-L1013 HydrophobicContact CG-CD2 3.93Å; L1013-I1016 HydrophobicContact CD2-CD1 3.75Å; L1013-I1016 HydrophobicContact CD2-CG1 4.49Å |
| 1014 | L | 30.9 | Very low | 42.2 | Very low | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | -7.6 | 169.8 | -70.3 | 166.7 | 0 | 0 | 0 | 113 | N1012 K1045 | N1012-L1014 PolarHBondContact O-N 3.03Å; L1014-K1045 HydrophobicContact CD1-CD 4.36Å; L1014-K1045 HydrophobicContact CD2-CD 4.32Å; L1014-K1045 HydrophobicContact CD2-CG 4.39Å |
| 1015 | N | 36.8 | Very low | 43.6 | Very low | 112 Ų | 112 | 101 Ų | 101 | 60% | 0.599 | 57% | 0.57 | S | S | * | * | trans | -98.4 | 15 | -178.7 | -75.2 | -2.9 | 0 | 0 | 0 | 114.1 | N1012 V1017 | N1012-N1015 PolarHBondContact ND2-ND2 3.27Å; N1012-N1015 PolarHBondContact O-N 3.18Å; N1015-V1017 PolarHBondContact O-N 2.87Å | ||
| 1016 | I | 41.2 | Very low | 44.9 | Very low | 77 Ų | 77 | 97 Ų | 97 | 40% | 0.395 | 54% | 0.542 | S | S | . | . | trans | -72.8 | 96.2 | 169.7 | -58.1 | -177.6 | 0 | 0 | 0 | 108.3 | L1013 L1018 | L1013-I1016 HydrophobicContact CD2-CD1 3.75Å; L1013-I1016 HydrophobicContact CD2-CG1 4.49Å; I1016-L1018 HydrophobicContact CG2-CD2 4.15Å; I1016-L1018 HydrophobicContact CG2-CG 4.23Å; I1016-L1018 PolarHBondContact O-N 2.93Å | ||
| 1017 | V | 49.8 | Very low | 46 | Very low | 65 Ų | 65 | 98.8 Ų | 98.8 | 39% | 0.394 | 54% | 0.544 | S | S | . | . | trans | -73.7 | 109.4 | 168.8 | -179.1 | 0 | 0 | 0 | 0 | 108 | N1015 V1042 | N1015-V1017 PolarHBondContact O-N 2.87Å; V1017-V1042 HydrophobicContact CG1-CG1 3.43Å; V1017-V1042 VanDerWaalsContact CG1-CG1 3.43Å | ||
| 1018 | L | 50.2 | Low | 47.1 | Very low | 81 Ų | 81 | 94 Ų | 94 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114.1 | 169.8 | -69.3 | 173.7 | 0 | 0 | 0 | 108.3 | I1016 L1043 | I1016-L1018 HydrophobicContact CG2-CD2 4.15Å; I1016-L1018 HydrophobicContact CG2-CG 4.23Å; I1016-L1018 PolarHBondContact O-N 2.93Å; L1018-L1043 HydrophobicContact CB-CB 3.93Å; L1018-L1043 HydrophobicContact CB-CD2 4.23Å; L1018-L1043 HydrophobicContact CD1-CD2 3.87Å; L1018-L1043 HydrophobicContact CG-CD2 4.36Å; L1018-L1043 PolarHBondContact O-N 3.07Å |
| 1019 | E | 74.7 | Confident | 47.9 | Very low | 75 Ų | 75 | 103.9 Ų | 103.9 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.4 | 176.3 | 55.3 | 174 | -149.5 | 0 | 0 | 111.5 | Y1040 V1041 V1042 R1054 | E1019-Y1040 HydrophobicContact CB-CE1 4.21Å; E1019-Y1040 PolarHBondContact OE1-OH 3.13Å; E1019-Y1040 PolarHBondContact OE2-OH 2.95Å; E1019-V1041 VanDerWaalsContact CA-O 3.28Å; E1019-V1041 WeakPolarHBondContact CA-O 2.93Å; E1019-V1042 HydrophobicContact CB-CG2 4.45Å; E1019-R1054 IonicContact OE1-CZ 2.81Å; E1019-R1054 IonicContact OE1-NH1 2.73Å; E1019-R1054 PolarHBondContact OE1-NH1 2.93Å; E1019-R1054 IonicContact OE1-NH2 3.78Å; E1019-R1054 PolarHBondContact OE1-NH2 2.86Å; E1019-R1054 IonicContact OE2-CZ 3.32Å; E1019-R1054 IonicContact OE2-NH1 2.69Å; E1019-R1054 IonicContact OE2-NH2 2.75Å |
| 1020 | D | 74.6 | Confident | 48.5 | Very low | 117 Ų | 117 | 96.5 Ų | 96.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158 | 172.1 | 177.5 | -150 | -17.9 | 0 | 0 | 0 | 111.4 | V1041 | D1020-V1041 PolarHBondContact N-O 3.29Å; D1020-V1041 PolarHBondContact O-N 3.06Å |
| 1021 | I | 74.6 | Confident | 49.1 | Very low | 107 Ų | 107 | 100.5 Ų | 100.5 | 55% | 0.549 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.8 | 172.7 | -63.5 | 174.7 | 0 | 0 | 0 | 109.7 | P1038 K1039 Y1040 | I1021-P1038 HydrophobicContact CG2-CB 3.49Å; I1021-P1038 VanDerWaalsContact CG2-CB 3.49Å; I1021-K1039 WeakPolarHBondContact CA-O 3.38Å; I1021-Y1040 HydrophobicContact CG1-CD2 3.99Å |
| 1022 | V | 61.8 | Low | 50.2 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.7 | 179 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | I1024 K1039 V1041 | V1022-I1024 HydrophobicContact CG1-CG1 4.16Å; V1022-I1024 PolarHBondContact O-N 3.16Å; V1022-K1039 PolarHBondContact N-O 3.36Å; V1022-K1039 PolarHBondContact O-N 2.89Å; V1022-V1041 HydrophobicContact CB-CG2 3.69Å; V1022-V1041 HydrophobicContact CG2-CB 4.16Å; V1022-V1041 HydrophobicContact CG2-CG2 3.55Å |
| 1023 | D | 65.5 | Low | 50.7 | Low | 96 Ų | 96 | 106 Ų | 106 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 122.9 | 169.1 | -81 | -40.9 | 0 | 0 | 0 | 110.3 | W1036 P1038 | D1023-W1036 HydrophobicContact CB-CB 4.25Å; D1023-W1036 HydrophobicContact CB-CE3 4.01Å; D1023-P1038 WeakPolarHBondContact OD1-CA 3.39Å |
| 1024 | I | 58.2 | Low | 51.3 | Low | 48 Ų | 48 | 107 Ų | 107 | 25% | 0.246 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.9 | -178.7 | -59.5 | 177 | 0 | 0 | 0 | 109.3 | V1022 W1036 L1037 K1039 F1050 | V1022-I1024 HydrophobicContact CG1-CG1 4.16Å; V1022-I1024 PolarHBondContact O-N 3.16Å; I1024-W1036 WeakPolarHBondContact O-CA 3.37Å; I1024-L1037 PolarHBondContact N-O 3.32Å; I1024-L1037 PolarHBondContact O-N 3.12Å; I1024-K1039 HydrophobicContact CD1-CB 3.91Å; I1024-K1039 HydrophobicContact CD1-CD 4.04Å; I1024-K1039 HydrophobicContact CD1-CG 4.04Å; I1024-F1050 HydrophobicContact CD1-CD1 3.42Å; I1024-F1050 VanDerWaalsContact CD1-CD1 3.42Å; I1024-F1050 HydrophobicContact CD1-CE1 3.5Å; I1024-F1050 HydrophobicContact CD1-CG 4.5Å |
| 1025 | D | 56.1 | Low | 52.2 | Low | 93 Ų | 93 | 106.4 Ų | 106.4 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 131.4 | -179.7 | 73.4 | -65.3 | 0 | 0 | 0 | 111.8 | L1034 W1036 | D1025-L1034 HydrophobicContact CB-CD2 4.41Å; D1025-W1036 HydrophobicContact CB-CZ3 4.44Å |
| 1026 | S | 54.1 | Low | 53 | Low | 33 Ų | 33 | 109 Ų | 109 | 23% | 0.231 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.7 | 179 | 71.5 | 0 | 0 | 0 | 0 | 111.1 | G1028 I1035 L1037 | S1026-G1028 PolarHBondContact O-N 3.45Å; S1026-G1028 VanDerWaalsContact O-N 3.13Å; S1026-I1035 PolarHBondContact N-O 3.37Å; S1026-I1035 PolarHBondContact O-N 2.93Å; S1026-I1035 PolarHBondContact OG-O 3.4Å; S1026-L1037 WeakPolarHBondContact OG-CD1 3.48Å |
| 1027 | K | 49.6 | Very low | 53.9 | Low | 201 Ų | 201 | 109.8 Ų | 109.8 | 87% | 0.874 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 101.6 | 174.5 | -72.6 | 176.9 | -179.4 | 168.6 | 0 | 109.4 | ||
| 1028 | G | 46 | Very low | 54.9 | Low | 16 Ų | 16 | 110.1 Ų | 110.1 | 17% | 0.165 | 55% | 0.546 | C | S | . | . | trans | -61.3 | 164.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1026 G1030 K1033 | S1026-G1028 PolarHBondContact O-N 3.45Å; S1026-G1028 VanDerWaalsContact O-N 3.13Å; G1028-G1030 PolarHBondContact O-N 2.81Å; G1028-K1033 PolarHBondContact N-O 3.17Å; G1028-K1033 VanDerWaalsContact N-O 3.16Å | ||
| 1029 | R | 40.8 | Very low | 56.1 | Low | 269 Ų | 269 | 108.2 Ų | 108.2 | 100% | 1.015 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -70.4 | 77.1 | 172.5 | -73.5 | -171.5 | 179.1 | -175 | 1.2 | 111.1 | ||
| 1030 | G | 39.2 | Very low | 56.4 | Low | 45 Ų | 45 | 105.2 Ų | 105.2 | 46% | 0.464 | 52% | 0.52 | S | S | . | . | S | Bend | trans | 167.5 | 134.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G1028 N1032 | G1028-G1030 PolarHBondContact O-N 2.81Å; G1030-N1032 PolarHBondContact O-N 3.06Å |
| 1031 | K | 39.4 | Very low | 56.7 | Low | 206 Ų | 206 | 100.1 Ų | 100.1 | 90% | 0.896 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 126.8 | 173.2 | -66.2 | -177.7 | 179.5 | -179.3 | 0 | 108.4 | ||
| 1032 | N | 50.3 | Low | 56.9 | Low | 165 Ų | 165 | 95 Ų | 95 | 88% | 0.882 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 35.6 | 176 | -48 | -2.5 | 0 | 0 | 0 | 116.6 | G1030 | G1030-N1032 PolarHBondContact O-N 3.06Š|
| 1033 | K | 37.8 | Very low | 57.3 | Low | 160 Ų | 160 | 93.9 Ų | 93.9 | 70% | 0.696 | 46% | 0.458 | S | S | * | . | trans | -125.7 | 114 | 158 | -78.6 | -168.9 | 174.6 | -175.7 | 0 | 112.3 | G1028 | G1028-K1033 PolarHBondContact N-O 3.17Å; G1028-K1033 VanDerWaalsContact N-O 3.16Å | ||
| 1034 | L | 45.1 | Very low | 57.4 | Low | 120 Ų | 120 | 93.8 Ų | 93.8 | 63% | 0.628 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139 | 162 | -61.7 | 173.1 | 0 | 0 | 0 | 108.7 | D1025 | D1025-L1034 HydrophobicContact CB-CD2 4.41Å |
| 1035 | I | 49.7 | Very low | 57.4 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.4 | 173.1 | -53.8 | -179.9 | 0 | 0 | 0 | 107.4 | S1026 L1037 | S1026-I1035 PolarHBondContact N-O 3.37Å; S1026-I1035 PolarHBondContact O-N 2.93Å; S1026-I1035 PolarHBondContact OG-O 3.4Å; I1035-L1037 HydrophobicContact CG2-CD2 4.44Å; I1035-L1037 PolarHBondContact O-N 3.03Å |
| 1036 | W | 54.2 | Low | 57.4 | Low | 168 Ų | 168 | 100.2 Ų | 100.2 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127.1 | 170.8 | -62 | 101.6 | 0 | 0 | 0 | 109.6 | D1023 I1024 D1025 | D1023-W1036 HydrophobicContact CB-CB 4.25Å; D1023-W1036 HydrophobicContact CB-CE3 4.01Å; I1024-W1036 WeakPolarHBondContact O-CA 3.37Å; D1025-W1036 HydrophobicContact CB-CZ3 4.44Å |
| 1037 | L | 60.3 | Low | 58 | Low | 92 Ų | 92 | 99.3 Ų | 99.3 | 48% | 0.482 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.6 | 172.4 | -68.7 | 178.5 | 0 | 0 | 0 | 109.3 | I1024 S1026 I1035 K1039 | I1024-L1037 PolarHBondContact N-O 3.32Å; I1024-L1037 PolarHBondContact O-N 3.12Å; S1026-L1037 WeakPolarHBondContact OG-CD1 3.48Å; I1035-L1037 HydrophobicContact CG2-CD2 4.44Å; I1035-L1037 PolarHBondContact O-N 3.03Å; L1037-K1039 PolarHBondContact O-N 3.34Å |
| 1038 | P | 69.9 | Low | 59.2 | Low | 73 Ų | 73 | 91.4 Ų | 91.4 | 47% | 0.474 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 125.8 | 175.3 | 26.5 | -33.1 | 0 | 0 | 0 | 110.2 | I1021 D1023 | I1021-P1038 HydrophobicContact CG2-CB 3.49Å; I1021-P1038 VanDerWaalsContact CG2-CB 3.49Å; D1023-P1038 WeakPolarHBondContact OD1-CA 3.39Å |
| 1039 | K | 75.8 | Confident | 60.9 | Low | 40 Ų | 40 | 91.2 Ų | 91.2 | 17% | 0.174 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148.2 | 163.1 | -72.7 | -151.8 | -178.1 | -169.1 | 0 | 110.1 | I1021 V1022 I1024 L1037 F1050 Y1051 E1065 | I1021-K1039 WeakPolarHBondContact CA-O 3.38Å; V1022-K1039 PolarHBondContact N-O 3.36Å; V1022-K1039 PolarHBondContact O-N 2.89Å; I1024-K1039 HydrophobicContact CD1-CB 3.91Å; I1024-K1039 HydrophobicContact CD1-CD 4.04Å; I1024-K1039 HydrophobicContact CD1-CG 4.04Å; L1037-K1039 PolarHBondContact O-N 3.34Å; K1039-F1050 HydrophobicContact CB-CD1 4.49Å; K1039-F1050 HydrophobicContact CD-CB 3.97Å; K1039-Y1051 CarbonylContact C-O 3.5Å; K1039-Y1051 WeakPolarHBondContact CA-O 3.41Å; K1039-Y1051 WeakPolarHBondContact CB-O 3.26Å; K1039-E1065 IonicContact NZ-OE1 2.64Å; K1039-E1065 PolarHBondContact NZ-OE1 3.24Å; K1039-E1065 IonicContact NZ-OE2 3.53Å; K1039-E1065 PolarHBondContact NZ-OE2 3.34Å |
| 1040 | Y | 81.7 | Confident | 62.9 | Low | 13 Ų | 13 | 79.4 Ų | 79.4 | 5% | 0.051 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124.1 | 170.7 | -168.4 | -97.6 | 0 | 0 | 0 | 109 | E1019 I1021 V1042 Y1051 S1053 R1054 Y1057 | E1019-Y1040 HydrophobicContact CB-CE1 4.21Å; E1019-Y1040 PolarHBondContact OE1-OH 3.13Å; E1019-Y1040 PolarHBondContact OE2-OH 2.95Å; I1021-Y1040 HydrophobicContact CG1-CD2 3.99Å; Y1040-V1042 HydrophobicContact CD1-CG2 3.78Å; Y1040-V1042 HydrophobicContact CE1-CG2 3.6Å; Y1040-Y1051 HydrophobicContact CD1-CD2 4.46Å; Y1040-Y1051 PolarHBondContact N-O 3.46Å; Y1040-Y1051 PolarHBondContact O-N 3.45Å; Y1040-S1053 VanDerWaalsContact CB-C 3.47Å; Y1040-R1054 HydrophobicContact CD1-CB 4.42Å; Y1040-R1054 HydrophobicContact CD2-CB 3.73Å; Y1040-R1054 HydrophobicContact CD2-CG 4.42Å; Y1040-R1054 HydrophobicContact CE1-CB 4.31Å; Y1040-R1054 HydrophobicContact CE1-CG 4.19Å; Y1040-R1054 HydrophobicContact CE2-CB 3.58Å; Y1040-R1054 HydrophobicContact CE2-CG 3.79Å; Y1040-R1054 HydrophobicContact CG-CB 4.13Å; Y1040-R1054 PolarHBondContact OH-NH1 3.27Å; Y1040-Y1057 HydrophobicContact CD1-CD1 4.33Å; Y1040-Y1057 HydrophobicContact CD1-CG 4.44Å; Y1040-Y1057 AromaticContact CE1-CD1 3.56Å; Y1040-Y1057 HydrophobicContact CE1-CD1 3.56Å; Y1040-Y1057 HydrophobicContact CE1-CE1 4.29Å; Y1040-Y1057 HydrophobicContact CE1-CG 4.1Å |
| 1041 | V | 81.5 | Confident | 65 | Low | 9 Ų | 9 | 77.3 Ų | 77.3 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.5 | -170.1 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | E1019 D1020 V1022 L1048 L1049 F1050 | E1019-V1041 VanDerWaalsContact CA-O 3.28Å; E1019-V1041 WeakPolarHBondContact CA-O 2.93Å; D1020-V1041 PolarHBondContact N-O 3.29Å; D1020-V1041 PolarHBondContact O-N 3.06Å; V1022-V1041 HydrophobicContact CB-CG2 3.69Å; V1022-V1041 HydrophobicContact CG2-CB 4.16Å; V1022-V1041 HydrophobicContact CG2-CG2 3.55Å; V1041-L1048 HydrophobicContact CG1-CB 4.42Å; V1041-L1048 HydrophobicContact CG1-CD2 3.82Å; V1041-L1049 CarbonylContact C-O 3.55Å; V1041-L1049 WeakPolarHBondContact CA-O 3.28Å; V1041-F1050 HydrophobicContact CB-CD1 4.34Å; V1041-F1050 HydrophobicContact CB-CE1 4.4Å; V1041-F1050 HydrophobicContact CG1-CD1 4.02Å; V1041-F1050 HydrophobicContact CG1-CE1 3.81Å; V1041-F1050 HydrophobicContact CG1-CZ 4.16Å; V1041-F1050 HydrophobicContact CG2-CD1 3.49Å; V1041-F1050 VanDerWaalsContact CG2-CD1 3.49Å; V1041-F1050 HydrophobicContact CG2-CE1 3.63Å; V1041-F1050 HydrophobicContact CG2-CG 4.49Å |
| 1042 | V | 78.7 | Confident | 66.8 | Low | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 113.6 | -175.6 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | V1017 E1019 Y1040 L1049 Y1051 Y1057 | V1017-V1042 HydrophobicContact CG1-CG1 3.43Å; V1017-V1042 VanDerWaalsContact CG1-CG1 3.43Å; E1019-V1042 HydrophobicContact CB-CG2 4.45Å; Y1040-V1042 HydrophobicContact CD1-CG2 3.78Å; Y1040-V1042 HydrophobicContact CE1-CG2 3.6Å; V1042-L1049 HydrophobicContact CB-CB 4.34Å; V1042-L1049 PolarHBondContact N-O 3.04Å; V1042-L1049 WeakPolarHBondContact O-CB 3.4Å; V1042-L1049 PolarHBondContact O-N 3.4Å; V1042-Y1051 HydrophobicContact CB-CE2 4.03Å; V1042-Y1051 HydrophobicContact CG2-CD2 3.95Å; V1042-Y1051 HydrophobicContact CG2-CE2 3.72Å; V1042-Y1057 HydrophobicContact CG1-CE2 3.97Å; V1042-Y1057 HydrophobicContact CG2-CD1 4.04Å; V1042-Y1057 HydrophobicContact CG2-CD2 4Å; V1042-Y1057 HydrophobicContact CG2-CE1 4.12Å; V1042-Y1057 HydrophobicContact CG2-CE2 4.11Å; V1042-Y1057 HydrophobicContact CG2-CG 3.95Å |
| 1043 | L | 68.5 | Low | 68.1 | Low | 42 Ų | 42 | 66.3 Ų | 66.3 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123.7 | 174.9 | -169.2 | 75.3 | 0 | 0 | 0 | 110.4 | L1018 T1047 L1048 L1069 | L1018-L1043 HydrophobicContact CB-CB 3.93Å; L1018-L1043 HydrophobicContact CB-CD2 4.23Å; L1018-L1043 HydrophobicContact CD1-CD2 3.87Å; L1018-L1043 HydrophobicContact CG-CD2 4.36Å; L1018-L1043 PolarHBondContact O-N 3.07Å; L1043-T1047 WeakPolarHBondContact CA-O 3.44Å; L1043-L1048 HydrophobicContact CB-CD2 4.34Å; L1043-L1048 HydrophobicContact CD1-CD2 3.47Å; L1043-L1048 VanDerWaalsContact CD1-CD2 3.47Å; L1043-L1048 HydrophobicContact CD1-CG 4.15Å; L1043-L1069 HydrophobicContact CD1-CD1 3.83Å; L1043-L1069 HydrophobicContact CD1-CG 4.16Å |
| 1044 | K | 67.8 | Low | 70.1 | Confident | 95 Ų | 95 | 64 Ų | 64 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 173.1 | 164 | -67.5 | -172.2 | -173.7 | 160.8 | 0 | 109.9 | F1046 T1047 L1049 | K1044-F1046 PolarHBondContact O-N 3.11Å; K1044-T1047 PolarHBondContact N-O 3.24Å; K1044-T1047 PolarHBondContact O-N 3.39Å; K1044-T1047 VanDerWaalsContact O-O 3.07Å; K1044-L1049 HydrophobicContact CD-CD1 3.61Å; K1044-L1049 VanDerWaalsContact CE-CD1 3.43Å; K1044-L1049 HydrophobicContact CG-CD1 4.11Å; K1044-L1049 VanDerWaalsContact NZ-CD1 3.33Å |
| 1045 | K | 58.9 | Low | 71.7 | Confident | 132 Ų | 132 | 61.6 Ų | 61.6 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 104.1 | 179.5 | -176.6 | 178.9 | 178.2 | -176.4 | 0 | 111.4 | L1014 | L1014-K1045 HydrophobicContact CD1-CD 4.36Å; L1014-K1045 HydrophobicContact CD2-CD 4.32Å; L1014-K1045 HydrophobicContact CD2-CG 4.39Å |
| 1046 | F | 55.9 | Low | 73.1 | Confident | 143 Ų | 143 | 59.6 Ų | 59.6 | 63% | 0.627 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 24.1 | -175.6 | -54.6 | -66.8 | 0 | 0 | 0 | 117.1 | K1044 P1068 L1069 | K1044-F1046 PolarHBondContact O-N 3.11Å; F1046-P1068 CarbonylContact O-C 3.53Å; F1046-P1068 WeakPolarHBondContact O-CA 3.37Å; F1046-L1069 PolarHBondContact O-N 2.93Å |
| 1047 | T | 67.5 | Low | 74.4 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 135.5 | -178 | -78.4 | 0 | 0 | 0 | 0 | 112.8 | L1043 K1044 L1049 E1066 | L1043-T1047 WeakPolarHBondContact CA-O 3.44Å; K1044-T1047 PolarHBondContact N-O 3.24Å; K1044-T1047 PolarHBondContact O-N 3.39Å; K1044-T1047 VanDerWaalsContact O-O 3.07Å; T1047-L1049 HydrophobicContact CG2-CD2 3.53Å; T1047-L1049 HydrophobicContact CG2-CG 3.85Å; T1047-E1066 HydrophobicContact CG2-CG 3.5Å; T1047-E1066 WeakPolarHBondContact CG2-OE1 3.48Å; T1047-E1066 PolarHBondContact OG1-OE1 3.02Å |
| 1048 | L | 75.2 | Confident | 75.1 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.4 | 156.9 | -69.6 | 176.9 | 0 | 0 | 0 | 109.9 | V1041 L1043 F1050 I1067 I1072 | V1041-L1048 HydrophobicContact CG1-CB 4.42Å; V1041-L1048 HydrophobicContact CG1-CD2 3.82Å; L1043-L1048 HydrophobicContact CB-CD2 4.34Å; L1043-L1048 HydrophobicContact CD1-CD2 3.47Å; L1043-L1048 VanDerWaalsContact CD1-CD2 3.47Å; L1043-L1048 HydrophobicContact CD1-CG 4.15Å; L1048-F1050 HydrophobicContact CB-CD2 4.31Å; L1048-F1050 HydrophobicContact CB-CE2 3.54Å; L1048-F1050 HydrophobicContact CB-CZ 3.97Å; L1048-F1050 HydrophobicContact CD1-CE2 4.12Å; L1048-F1050 HydrophobicContact CD1-CZ 3.75Å; L1048-F1050 HydrophobicContact CG-CE2 4.47Å; L1048-F1050 HydrophobicContact CG-CZ 4.47Å; L1048-I1067 PolarHBondContact N-O 3.31Å; L1048-I1067 PolarHBondContact O-N 3.24Å; L1048-I1072 HydrophobicContact CB-CD1 4.28Å; L1048-I1072 HydrophobicContact CD1-CD1 3.57Å; L1048-I1072 HydrophobicContact CD1-CG1 4.05Å; L1048-I1072 HydrophobicContact CG-CD1 3.96Å |
| 1049 | L | 81.6 | Confident | 75.4 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.4 | 170.4 | -61.9 | 179.1 | 0 | 0 | 0 | 109.3 | V1041 V1042 K1044 T1047 Y1051 A1064 E1066 | V1041-L1049 CarbonylContact C-O 3.55Å; V1041-L1049 WeakPolarHBondContact CA-O 3.28Å; V1042-L1049 HydrophobicContact CB-CB 4.34Å; V1042-L1049 PolarHBondContact N-O 3.04Å; V1042-L1049 WeakPolarHBondContact O-CB 3.4Å; V1042-L1049 PolarHBondContact O-N 3.4Å; K1044-L1049 HydrophobicContact CD-CD1 3.61Å; K1044-L1049 VanDerWaalsContact CE-CD1 3.43Å; K1044-L1049 HydrophobicContact CG-CD1 4.11Å; K1044-L1049 VanDerWaalsContact NZ-CD1 3.33Å; T1047-L1049 HydrophobicContact CG2-CD2 3.53Å; T1047-L1049 HydrophobicContact CG2-CG 3.85Å; L1049-Y1051 HydrophobicContact CB-CE2 3.78Å; L1049-A1064 HydrophobicContact CB-CB 3.76Å; L1049-A1064 HydrophobicContact CD2-CB 3.88Å; L1049-A1064 HydrophobicContact CG-CB 4.26Å; L1049-E1066 HydrophobicContact CD2-CB 3.96Å; L1049-E1066 HydrophobicContact CD2-CG 3.88Å |
| 1050 | F | 81.9 | Confident | 75.5 | Confident | 21 Ų | 21 | 58 Ų | 58 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.4 | -179.9 | -61.6 | -98.7 | 0 | 0 | 0 | 111.1 | I1024 K1039 V1041 L1048 A1064 E1065 I1067 | I1024-F1050 HydrophobicContact CD1-CD1 3.42Å; I1024-F1050 VanDerWaalsContact CD1-CD1 3.42Å; I1024-F1050 HydrophobicContact CD1-CE1 3.5Å; I1024-F1050 HydrophobicContact CD1-CG 4.5Å; K1039-F1050 HydrophobicContact CB-CD1 4.49Å; K1039-F1050 HydrophobicContact CD-CB 3.97Å; V1041-F1050 HydrophobicContact CB-CD1 4.34Å; V1041-F1050 HydrophobicContact CB-CE1 4.4Å; V1041-F1050 HydrophobicContact CG1-CD1 4.02Å; V1041-F1050 HydrophobicContact CG1-CE1 3.81Å; V1041-F1050 HydrophobicContact CG1-CZ 4.16Å; V1041-F1050 HydrophobicContact CG2-CD1 3.49Å; V1041-F1050 VanDerWaalsContact CG2-CD1 3.49Å; V1041-F1050 HydrophobicContact CG2-CE1 3.63Å; V1041-F1050 HydrophobicContact CG2-CG 4.49Å; L1048-F1050 HydrophobicContact CB-CD2 4.31Å; L1048-F1050 HydrophobicContact CB-CE2 3.54Å; L1048-F1050 HydrophobicContact CB-CZ 3.97Å; L1048-F1050 HydrophobicContact CD1-CE2 4.12Å; L1048-F1050 HydrophobicContact CD1-CZ 3.75Å; L1048-F1050 HydrophobicContact CG-CE2 4.47Å; L1048-F1050 HydrophobicContact CG-CZ 4.47Å; F1050-A1064 WeakPolarHBondContact O-CA 3.41Å; F1050-E1065 HydrophobicContact CB-CB 4.11Å; F1050-E1065 PolarHBondContact N-O 3.44Å; F1050-E1065 PolarHBondContact O-N 3.04Å; F1050-I1067 HydrophobicContact CD2-CD1 4.1Å; F1050-I1067 HydrophobicContact CD2-CG1 4.08Å; F1050-I1067 HydrophobicContact CE2-CB 4.08Å; F1050-I1067 HydrophobicContact CE2-CD1 3.55Å; F1050-I1067 HydrophobicContact CE2-CG1 3.73Å; F1050-I1067 HydrophobicContact CZ-CD1 4.22Å |
| 1051 | Y | 83.2 | Confident | 74.7 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 154.1 | 177.3 | -56.9 | -90.9 | 0 | 0 | 0 | 109.7 | K1039 Y1040 V1042 L1049 S1053 E1056 Y1057 P1061 A1064 | K1039-Y1051 CarbonylContact C-O 3.5Å; K1039-Y1051 WeakPolarHBondContact CA-O 3.41Å; K1039-Y1051 WeakPolarHBondContact CB-O 3.26Å; Y1040-Y1051 HydrophobicContact CD1-CD2 4.46Å; Y1040-Y1051 PolarHBondContact N-O 3.46Å; Y1040-Y1051 PolarHBondContact O-N 3.45Å; V1042-Y1051 HydrophobicContact CB-CE2 4.03Å; V1042-Y1051 HydrophobicContact CG2-CD2 3.95Å; V1042-Y1051 HydrophobicContact CG2-CE2 3.72Å; L1049-Y1051 HydrophobicContact CB-CE2 3.78Å; Y1051-S1053 PolarHBondContact O-N 3.18Å; Y1051-E1056 HydrophobicContact CD1-CB 4.45Å; Y1051-E1056 HydrophobicContact CD1-CG 4.15Å; Y1051-Y1057 HydrophobicContact CD2-CD2 4.36Å; Y1051-Y1057 HydrophobicContact CD2-CG 4.36Å; Y1051-Y1057 HydrophobicContact CE1-CD2 4.3Å; Y1051-Y1057 AromaticContact CE2-CD2 3.6Å; Y1051-Y1057 HydrophobicContact CE2-CD2 3.6Å; Y1051-Y1057 HydrophobicContact CE2-CE2 4.46Å; Y1051-Y1057 HydrophobicContact CE2-CG 4.05Å; Y1051-Y1057 AromaticContact CZ-CD2 3.56Å; Y1051-P1061 PolarHBondContact OH-O 3.46Å; Y1051-A1064 HydrophobicContact CD1-CB 4.2Å; Y1051-A1064 HydrophobicContact CE1-CB 3.68Å; Y1051-A1064 HydrophobicContact CE2-CB 4.11Å |
| 1052 | T | 77.1 | Confident | 74.1 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 56% | 0.564 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -67.8 | -23 | 173.3 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | E1056 | T1052-E1056 VanDerWaalsContact CB-OE2 3.31Å; T1052-E1056 WeakPolarHBondContact CB-OE2 3.44Å; T1052-E1056 WeakPolarHBondContact CG2-OE2 3.47Å; T1052-E1056 PolarHBondContact N-OE2 3.35Å; T1052-E1056 VanDerWaalsContact OG1-CD 3.32Å; T1052-E1056 PolarHBondContact OG1-OE2 2.89Å |
| 1053 | S | 77.6 | Confident | 73.6 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -162.9 | 163.6 | 178.4 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | Y1040 Y1051 S1055 E1056 Y1057 | Y1040-S1053 VanDerWaalsContact CB-C 3.47Å; Y1051-S1053 PolarHBondContact O-N 3.18Å; S1053-S1055 PolarHBondContact O-N 3.46Å; S1053-S1055 PolarHBondContact OG-N 3.13Å; S1053-E1056 PolarHBondContact O-N 2.76Å; S1053-E1056 VanDerWaalsContact O-N 3.08Å; S1053-E1056 PolarHBondContact OG-N 2.84Å; S1053-Y1057 PolarHBondContact O-N 3.28Å |
| 1054 | R | 79.9 | Confident | 73.5 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.3 | -38.3 | 168.1 | -174.5 | 172 | -174.9 | 110.8 | 22.2 | 112 | E1019 Y1040 E1056 Y1057 E1058 | E1019-R1054 IonicContact OE1-CZ 2.81Å; E1019-R1054 IonicContact OE1-NH1 2.73Å; E1019-R1054 PolarHBondContact OE1-NH1 2.93Å; E1019-R1054 IonicContact OE1-NH2 3.78Å; E1019-R1054 PolarHBondContact OE1-NH2 2.86Å; E1019-R1054 IonicContact OE2-CZ 3.32Å; E1019-R1054 IonicContact OE2-NH1 2.69Å; E1019-R1054 IonicContact OE2-NH2 2.75Å; Y1040-R1054 HydrophobicContact CD1-CB 4.42Å; Y1040-R1054 HydrophobicContact CD2-CB 3.73Å; Y1040-R1054 HydrophobicContact CD2-CG 4.42Å; Y1040-R1054 HydrophobicContact CE1-CB 4.31Å; Y1040-R1054 HydrophobicContact CE1-CG 4.19Å; Y1040-R1054 HydrophobicContact CE2-CB 3.58Å; Y1040-R1054 HydrophobicContact CE2-CG 3.79Å; Y1040-R1054 HydrophobicContact CG-CB 4.13Å; Y1040-R1054 PolarHBondContact OH-NH1 3.27Å; R1054-E1056 VanDerWaalsContact C-N 3.29Å; R1054-E1056 PolarHBondContact O-N 3.2Å; R1054-Y1057 WeakPolarHBondContact O-CB 3.47Å; R1054-Y1057 PolarHBondContact O-N 3.4Å; R1054-E1058 HydrophobicContact CG-CG 4.35Å; R1054-E1058 WeakPolarHBondContact CG-OE1 3.45Å; R1054-E1058 IonicContact CZ-OE1 2.63Å; R1054-E1058 IonicContact NE-OE1 2.66Å; R1054-E1058 PolarHBondContact NE-OE1 3.49Å; R1054-E1058 IonicContact NH2-OE1 3.13Å; R1054-E1058 WeakPolarHBondContact O-CG 3.34Å; R1054-E1058 PolarHBondContact O-N 3.45Å |
| 1055 | S | 78.1 | Confident | 73.7 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -32 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 113.1 | S1053 T1059 | S1053-S1055 PolarHBondContact O-N 3.46Å; S1053-S1055 PolarHBondContact OG-N 3.13Å; S1055-T1059 VanDerWaalsContact O-CB 3.3Å; S1055-T1059 WeakPolarHBondContact O-CB 3.21Å; S1055-T1059 VanDerWaalsContact O-CG2 3.29Å; S1055-T1059 WeakPolarHBondContact O-CG2 3.34Å; S1055-T1059 PolarHBondContact O-N 3.38Å; S1055-T1059 PolarHBondContact O-OG1 3.18Å |
| 1056 | E | 79.5 | Confident | 74.4 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -75.3 | -36.4 | 176.5 | -173.3 | 176.7 | -136.4 | 0 | 0 | 111.4 | Y1051 T1052 S1053 R1054 N1060 | Y1051-E1056 HydrophobicContact CD1-CB 4.45Å; Y1051-E1056 HydrophobicContact CD1-CG 4.15Å; T1052-E1056 VanDerWaalsContact CB-OE2 3.31Å; T1052-E1056 WeakPolarHBondContact CB-OE2 3.44Å; T1052-E1056 WeakPolarHBondContact CG2-OE2 3.47Å; T1052-E1056 PolarHBondContact N-OE2 3.35Å; T1052-E1056 VanDerWaalsContact OG1-CD 3.32Å; T1052-E1056 PolarHBondContact OG1-OE2 2.89Å; S1053-E1056 PolarHBondContact O-N 2.76Å; S1053-E1056 VanDerWaalsContact O-N 3.08Å; S1053-E1056 PolarHBondContact OG-N 2.84Å; R1054-E1056 VanDerWaalsContact C-N 3.29Å; R1054-E1056 PolarHBondContact O-N 3.2Å; E1056-N1060 CarbonylContact O-C 3.59Å; E1056-N1060 VanDerWaalsContact O-C 3.25Å; E1056-N1060 WeakPolarHBondContact O-CA 3.44Å; E1056-N1060 PolarHBondContact O-N 3.18Å |
| 1057 | Y | 80.8 | Confident | 74.9 | Confident | 49 Ų | 49 | 68 Ų | 68 | 19% | 0.192 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 169.4 | 170 | -129 | 0 | 0 | 0 | 112 | Y1040 V1042 Y1051 S1053 R1054 P1061 | Y1040-Y1057 HydrophobicContact CD1-CD1 4.33Å; Y1040-Y1057 HydrophobicContact CD1-CG 4.44Å; Y1040-Y1057 AromaticContact CE1-CD1 3.56Å; Y1040-Y1057 HydrophobicContact CE1-CD1 3.56Å; Y1040-Y1057 HydrophobicContact CE1-CE1 4.29Å; Y1040-Y1057 HydrophobicContact CE1-CG 4.1Å; V1042-Y1057 HydrophobicContact CG1-CE2 3.97Å; V1042-Y1057 HydrophobicContact CG2-CD1 4.04Å; V1042-Y1057 HydrophobicContact CG2-CD2 4Å; V1042-Y1057 HydrophobicContact CG2-CE1 4.12Å; V1042-Y1057 HydrophobicContact CG2-CE2 4.11Å; V1042-Y1057 HydrophobicContact CG2-CG 3.95Å; Y1051-Y1057 HydrophobicContact CD2-CD2 4.36Å; Y1051-Y1057 HydrophobicContact CD2-CG 4.36Å; Y1051-Y1057 HydrophobicContact CE1-CD2 4.3Å; Y1051-Y1057 AromaticContact CE2-CD2 3.6Å; Y1051-Y1057 HydrophobicContact CE2-CD2 3.6Å; Y1051-Y1057 HydrophobicContact CE2-CE2 4.46Å; Y1051-Y1057 HydrophobicContact CE2-CG 4.05Å; Y1051-Y1057 AromaticContact CZ-CD2 3.56Å; S1053-Y1057 PolarHBondContact O-N 3.28Å; R1054-Y1057 WeakPolarHBondContact O-CB 3.47Å; R1054-Y1057 PolarHBondContact O-N 3.4Å; Y1057-P1061 HydrophobicContact CD2-CB 4.46Å; Y1057-P1061 WeakPolarHBondContact O-CB 3.46Å; Y1057-P1061 WeakPolarHBondContact O-CD 3.33Å |
| 1058 | E | 76.3 | Confident | 74.7 | Confident | 116 Ų | 116 | 68.3 Ų | 68.3 | 54% | 0.542 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.4 | -30.9 | -177.8 | -70.9 | 168.4 | 169.8 | 0 | 0 | 113.3 | R1054 | R1054-E1058 HydrophobicContact CG-CG 4.35Å; R1054-E1058 WeakPolarHBondContact CG-OE1 3.45Å; R1054-E1058 IonicContact CZ-OE1 2.63Å; R1054-E1058 IonicContact NE-OE1 2.66Å; R1054-E1058 PolarHBondContact NE-OE1 3.49Å; R1054-E1058 IonicContact NH2-OE1 3.13Å; R1054-E1058 WeakPolarHBondContact O-CG 3.34Å; R1054-E1058 PolarHBondContact O-N 3.45Å |
| 1059 | T | 76.7 | Confident | 73.6 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -98.6 | -25.9 | -178.7 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | S1055 | S1055-T1059 VanDerWaalsContact O-CB 3.3Å; S1055-T1059 WeakPolarHBondContact O-CB 3.21Å; S1055-T1059 VanDerWaalsContact O-CG2 3.29Å; S1055-T1059 WeakPolarHBondContact O-CG2 3.34Å; S1055-T1059 PolarHBondContact O-N 3.38Å; S1055-T1059 PolarHBondContact O-OG1 3.18Å |
| 1060 | N | 76.2 | Confident | 72 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | trans | -148.2 | 64.2 | -175 | -147.5 | -22.2 | 0 | 0 | 0 | 112.3 | E1056 L1062 L1063 | E1056-N1060 CarbonylContact O-C 3.59Å; E1056-N1060 VanDerWaalsContact O-C 3.25Å; E1056-N1060 WeakPolarHBondContact O-CA 3.44Å; E1056-N1060 PolarHBondContact O-N 3.18Å; N1060-L1062 PolarHBondContact O-N 3.39Å; N1060-L1063 HydrophobicContact CB-CB 4.26Å; N1060-L1063 HydrophobicContact CB-CD1 4.49Å; N1060-L1063 VanDerWaalsContact ND2-CD1 3.29Å; N1060-L1063 WeakPolarHBondContact ND2-CD1 3.3Å; N1060-L1063 WeakPolarHBondContact O-CB 3.49Å; N1060-L1063 PolarHBondContact O-N 2.95Å | ||
| 1061 | P | 65.4 | Low | 70.3 | Confident | 64 Ų | 64 | 81.2 Ų | 81.2 | 42% | 0.416 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -5.4 | -173 | 24.6 | -35.1 | 0 | 0 | 0 | 115.4 | Y1051 Y1057 | Y1051-P1061 PolarHBondContact OH-O 3.46Å; Y1057-P1061 HydrophobicContact CD2-CB 4.46Å; Y1057-P1061 WeakPolarHBondContact O-CB 3.46Å; Y1057-P1061 WeakPolarHBondContact O-CD 3.33Å |
| 1062 | L | 70.1 | Confident | 68.7 | Low | 163 Ų | 163 | 84.7 Ų | 84.7 | 85% | 0.853 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -13.2 | 174.1 | -66.3 | 171.8 | 0 | 0 | 0 | 113.7 | N1060 A1064 | N1060-L1062 PolarHBondContact O-N 3.39Å; L1062-A1064 VanDerWaalsContact C-N 3.35Å; L1062-A1064 PolarHBondContact O-N 3.17Å |
| 1063 | L | 67 | Low | 66.5 | Low | 100 Ų | 100 | 86.7 Ų | 86.7 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | trans | -94.4 | 17.2 | -169 | -137.8 | 141.7 | 0 | 0 | 0 | 113.9 | N1060 | N1060-L1063 HydrophobicContact CB-CB 4.26Å; N1060-L1063 HydrophobicContact CB-CD1 4.49Å; N1060-L1063 VanDerWaalsContact ND2-CD1 3.29Å; N1060-L1063 WeakPolarHBondContact ND2-CD1 3.3Å; N1060-L1063 WeakPolarHBondContact O-CB 3.49Å; N1060-L1063 PolarHBondContact O-N 2.95Å | ||
| 1064 | A | 67.6 | Low | 64.5 | Low | 25 Ų | 25 | 91.6 Ų | 91.6 | 21% | 0.207 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 146.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1049 F1050 Y1051 L1062 E1066 | L1049-A1064 HydrophobicContact CB-CB 3.76Å; L1049-A1064 HydrophobicContact CD2-CB 3.88Å; L1049-A1064 HydrophobicContact CG-CB 4.26Å; F1050-A1064 WeakPolarHBondContact O-CA 3.41Å; Y1051-A1064 HydrophobicContact CD1-CB 4.2Å; Y1051-A1064 HydrophobicContact CE1-CB 3.68Å; Y1051-A1064 HydrophobicContact CE2-CB 4.11Å; L1062-A1064 VanDerWaalsContact C-N 3.35Å; L1062-A1064 PolarHBondContact O-N 3.17Å; A1064-E1066 PolarHBondContact O-N 3.34Å |
| 1065 | E | 71.3 | Confident | 62.4 | Low | 112 Ų | 112 | 92.3 Ų | 92.3 | 52% | 0.523 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.8 | 153.9 | -82.6 | 166.5 | -150.2 | 0 | 0 | 108.6 | K1039 F1050 | K1039-E1065 IonicContact NZ-OE1 2.64Å; K1039-E1065 PolarHBondContact NZ-OE1 3.24Å; K1039-E1065 IonicContact NZ-OE2 3.53Å; K1039-E1065 PolarHBondContact NZ-OE2 3.34Å; F1050-E1065 HydrophobicContact CB-CB 4.11Å; F1050-E1065 PolarHBondContact N-O 3.44Å; F1050-E1065 PolarHBondContact O-N 3.04Å |
| 1066 | E | 74.6 | Confident | 60.9 | Low | 118 Ų | 118 | 95.2 Ų | 95.2 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.3 | 179.5 | -174.7 | 169 | -177.2 | 0 | 0 | 112.3 | T1047 L1049 A1064 | T1047-E1066 HydrophobicContact CG2-CG 3.5Å; T1047-E1066 WeakPolarHBondContact CG2-OE1 3.48Å; T1047-E1066 PolarHBondContact OG1-OE1 3.02Å; L1049-E1066 HydrophobicContact CD2-CB 3.96Å; L1049-E1066 HydrophobicContact CD2-CG 3.88Å; A1064-E1066 PolarHBondContact O-N 3.34Å |
| 1067 | I | 65.8 | Low | 59.2 | Low | 61 Ų | 61 | 100.8 Ų | 100.8 | 31% | 0.313 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 105.5 | 168.8 | -46.5 | -174.7 | 0 | 0 | 0 | 109.6 | L1048 F1050 L1069 R1071 I1072 | L1048-I1067 PolarHBondContact N-O 3.31Å; L1048-I1067 PolarHBondContact O-N 3.24Å; F1050-I1067 HydrophobicContact CD2-CD1 4.1Å; F1050-I1067 HydrophobicContact CD2-CG1 4.08Å; F1050-I1067 HydrophobicContact CE2-CB 4.08Å; F1050-I1067 HydrophobicContact CE2-CD1 3.55Å; F1050-I1067 HydrophobicContact CE2-CG1 3.73Å; F1050-I1067 HydrophobicContact CZ-CD1 4.22Å; I1067-L1069 PolarHBondContact O-N 2.86Å; I1067-R1071 HydrophobicContact CG2-CB 4.06Å; I1067-I1072 HydrophobicContact CB-CD1 4Å; I1067-I1072 HydrophobicContact CG2-CD1 3.54Å; I1067-I1072 HydrophobicContact CG2-CG1 3.76Å; I1067-I1072 WeakPolarHBondContact O-CD1 3.5Å |
| 1068 | P | 63.4 | Low | 57.6 | Low | 21 Ų | 21 | 99.7 Ų | 99.7 | 14% | 0.136 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 137 | 173.8 | -28.2 | 36.9 | 0 | 0 | 0 | 112.4 | F1046 Y1070 R1071 | F1046-P1068 CarbonylContact O-C 3.53Å; F1046-P1068 WeakPolarHBondContact O-CA 3.37Å; P1068-Y1070 HydrophobicContact CB-CD1 3.59Å; P1068-Y1070 HydrophobicContact CB-CE1 3.22Å; P1068-Y1070 HydrophobicContact CB-CG 4.46Å; P1068-Y1070 HydrophobicContact CG-CE1 3.99Å; P1068-Y1070 PolarHBondContact O-N 2.89Å; P1068-R1071 WeakPolarHBondContact O-CB 3.42Å; P1068-R1071 PolarHBondContact O-N 3.1Å |
| 1069 | L | 51.5 | Low | 56.7 | Low | 41 Ų | 41 | 97 Ų | 97 | 22% | 0.215 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -52 | -35.7 | -174.3 | -105.9 | 168 | 0 | 0 | 0 | 113.4 | L1043 F1046 I1067 R1071 I1072 M1073 | L1043-L1069 HydrophobicContact CD1-CD1 3.83Å; L1043-L1069 HydrophobicContact CD1-CG 4.16Å; F1046-L1069 PolarHBondContact O-N 2.93Å; I1067-L1069 PolarHBondContact O-N 2.86Å; L1069-R1071 PolarHBondContact O-N 3.45Å; L1069-I1072 PolarHBondContact O-N 3.49Å; L1069-M1073 HydrophobicContact CD2-CG 4.39Å; L1069-M1073 HydrophobicContact CD2-SD 4.2Å; L1069-M1073 PolarHBondContact O-N 3.47Å |
| 1070 | Y | 47.9 | Very low | 55.7 | Low | 145 Ų | 145 | 98.2 Ų | 98.2 | 57% | 0.569 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.5 | -13.6 | 177.6 | 73.2 | -100.4 | 0 | 0 | 0 | 114 | P1068 M1073 | P1068-Y1070 HydrophobicContact CB-CD1 3.59Å; P1068-Y1070 HydrophobicContact CB-CE1 3.22Å; P1068-Y1070 HydrophobicContact CB-CG 4.46Å; P1068-Y1070 HydrophobicContact CG-CE1 3.99Å; P1068-Y1070 PolarHBondContact O-N 2.89Å; Y1070-M1073 VanDerWaalsContact O-O 3.08Å |
| 1071 | R | 46.2 | Very low | 54.9 | Low | 153 Ų | 153 | 100.1 Ų | 100.1 | 58% | 0.577 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -87.1 | -28.3 | 171.9 | -60.8 | -171.2 | 178.1 | -176.8 | -5.4 | 112.6 | I1067 P1068 L1069 H1074 | I1067-R1071 HydrophobicContact CG2-CB 4.06Å; P1068-R1071 WeakPolarHBondContact O-CB 3.42Å; P1068-R1071 PolarHBondContact O-N 3.1Å; L1069-R1071 PolarHBondContact O-N 3.45Å; R1071-H1074 PolarHBondContact O-ND1 3.25Å |
| 1072 | I | 49.8 | Very low | 54.8 | Low | 74 Ų | 74 | 99 Ų | 99 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -86 | -46.7 | 178.5 | -56.7 | 115.1 | 0 | 0 | 0 | 110.7 | L1048 I1067 L1069 H1074 | L1048-I1072 HydrophobicContact CB-CD1 4.28Å; L1048-I1072 HydrophobicContact CD1-CD1 3.57Å; L1048-I1072 HydrophobicContact CD1-CG1 4.05Å; L1048-I1072 HydrophobicContact CG-CD1 3.96Å; I1067-I1072 HydrophobicContact CB-CD1 4Å; I1067-I1072 HydrophobicContact CG2-CD1 3.54Å; I1067-I1072 HydrophobicContact CG2-CG1 3.76Å; I1067-I1072 WeakPolarHBondContact O-CD1 3.5Å; L1069-I1072 PolarHBondContact O-N 3.49Å; I1072-H1074 PolarHBondContact O-N 3.19Å; I1072-H1074 VanDerWaalsContact O-N 3.14Å |
| 1073 | M | 30.7 | Very low | 54.4 | Low | 134 Ų | 134 | 94 Ų | 94 | 66% | 0.66 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 97.3 | 167.5 | -69.3 | 177.6 | 60.1 | 0 | 0 | 108 | L1069 Y1070 V1075 | L1069-M1073 HydrophobicContact CD2-CG 4.39Å; L1069-M1073 HydrophobicContact CD2-SD 4.2Å; L1069-M1073 PolarHBondContact O-N 3.47Å; Y1070-M1073 VanDerWaalsContact O-O 3.08Å; M1073-V1075 VanDerWaalsContact C-N 3.28Å; M1073-V1075 PolarHBondContact O-N 3.31Å |
| 1074 | H | 35 | Very low | 53.9 | Low | 150 Ų | 150 | 94.6 Ų | 94.6 | 69% | 0.694 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 74.9 | -172.9 | -77.1 | -28.5 | 0 | 0 | 0 | 114.9 | R1071 I1072 R1076 | R1071-H1074 PolarHBondContact O-ND1 3.25Å; I1072-H1074 PolarHBondContact O-N 3.19Å; I1072-H1074 VanDerWaalsContact O-N 3.14Å; H1074-R1076 PolarHBondContact O-N 3.05Å |
| 1075 | V | 36.3 | Very low | 53.6 | Low | 128 Ų | 128 | 100 Ų | 100 | 78% | 0.776 | 48% | 0.482 | S | S | * | . | trans | -82.9 | 70.8 | 136.4 | -173 | 0 | 0 | 0 | 0 | 106.4 | M1073 | M1073-V1075 VanDerWaalsContact C-N 3.28Å; M1073-V1075 PolarHBondContact O-N 3.31Å | ||
| 1076 | R | 46.8 | Very low | 53.4 | Low | 130 Ų | 130 | 96 Ų | 96 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | trans | -71.3 | 149 | 168.5 | 64.8 | 178.6 | -177.7 | 73.6 | 2.1 | 108.7 | H1074 A1078 D1082 | H1074-R1076 PolarHBondContact O-N 3.05Å; R1076-A1078 PolarHBondContact O-N 3.25Å; R1076-D1082 IonicContact CZ-OD1 3.3Å; R1076-D1082 IonicContact CZ-OD2 3.26Å; R1076-D1082 IonicContact NH1-OD1 3.7Å; R1076-D1082 PolarHBondContact NH1-OD1 3.07Å; R1076-D1082 IonicContact NH1-OD2 2.67Å; R1076-D1082 PolarHBondContact NH1-OD2 2.9Å; R1076-D1082 IonicContact NH2-OD1 3.76Å; R1076-D1082 PolarHBondContact NH2-OD1 2.92Å; R1076-D1082 IonicContact NH2-OD2 3Å | ||
| 1077 | E | 43.6 | Very low | 52.9 | Low | 157 Ų | 157 | 96 Ų | 96 | 73% | 0.734 | 47% | 0.466 | S | S | * | . | trans | -54.6 | 139.9 | 175.2 | -64.8 | 178.1 | 154.5 | 0 | 0 | 110.1 | T1079 | E1077-T1079 PolarHBondContact O-N 3.01Å; E1077-T1079 VanDerWaalsContact O-N 3.07Å | ||
| 1078 | A | 47.6 | Very low | 52.7 | Low | 26 Ų | 26 | 102.8 Ų | 102.8 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | trans | -64.3 | 111.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R1076 T1094 L1097 F1098 | R1076-A1078 PolarHBondContact O-N 3.25Å; A1078-T1094 HydrophobicContact CB-CG2 4.12Å; A1078-L1097 HydrophobicContact CB-CB 4.5Å; A1078-F1098 HydrophobicContact CB-CD2 4.05Å; A1078-F1098 WeakPolarHBondContact O-CD2 3.49Å; A1078-F1098 WeakPolarHBondContact O-CE2 3.33Å | ||
| 1079 | T | 56.9 | Low | 52.4 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 37% | 0.368 | 52% | 0.518 | S | S | . | . | trans | -81.5 | 166.6 | 178.6 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | E1077 L1081 D1082 L1083 | E1077-T1079 PolarHBondContact O-N 3.01Å; E1077-T1079 VanDerWaalsContact O-N 3.07Å; T1079-L1081 PolarHBondContact O-N 3.27Å; T1079-L1081 VanDerWaalsContact O-N 3.16Å; T1079-L1081 WeakPolarHBondContact OG1-CB 3.31Å; T1079-L1081 PolarHBondContact OG1-N 2.73Å; T1079-D1082 WeakPolarHBondContact CA-OD2 3.46Å; T1079-D1082 WeakPolarHBondContact CB-OD2 3.49Å; T1079-D1082 PolarHBondContact N-OD2 3.22Å; T1079-D1082 PolarHBondContact O-N 2.89Å; T1079-D1082 PolarHBondContact OG1-N 3.4Å; T1079-D1082 PolarHBondContact OG1-OD2 3.47Å; T1079-L1083 PolarHBondContact O-N 3.29Å | ||
| 1080 | E | 56.9 | Low | 52.8 | Low | 131 Ų | 131 | 109.8 Ų | 109.8 | 61% | 0.612 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55 | -30.6 | 168.8 | -166.5 | 172.5 | -156.3 | 0 | 0 | 111.4 | D1082 L1083 I1084 | E1080-D1082 VanDerWaalsContact C-N 3.34Å; E1080-D1082 PolarHBondContact O-N 2.93Å; E1080-L1083 PolarHBondContact O-N 3.34Å; E1080-I1084 HydrophobicContact CG-CD1 4.38Å; E1080-I1084 WeakPolarHBondContact O-CD1 3.26Å; E1080-I1084 VanDerWaalsContact O-CG1 3.24Å; E1080-I1084 WeakPolarHBondContact O-CG1 3.2Å; E1080-I1084 PolarHBondContact O-N 2.96Å; E1080-I1084 VanDerWaalsContact O-N 3.16Å |
| 1081 | L | 58.4 | Low | 53.4 | Low | 109 Ų | 109 | 106.3 Ų | 106.3 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -31.6 | 173.1 | -120.9 | 81.1 | 0 | 0 | 0 | 113.4 | T1079 I1084 H1085 | T1079-L1081 PolarHBondContact O-N 3.27Å; T1079-L1081 VanDerWaalsContact O-N 3.16Å; T1079-L1081 WeakPolarHBondContact OG1-CB 3.31Å; T1079-L1081 PolarHBondContact OG1-N 2.73Å; L1081-I1084 PolarHBondContact O-N 3.38Å; L1081-H1085 PolarHBondContact O-N 3.25Å; L1081-H1085 VanDerWaalsContact O-N 3.1Å; L1081-H1085 PolarHBondContact O-ND1 2.79Å |
| 1082 | D | 62.9 | Low | 53.8 | Low | 41 Ų | 41 | 103.5 Ų | 103.5 | 22% | 0.219 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -77.9 | -33.2 | 179.5 | -57.4 | -67.9 | 0 | 0 | 0 | 111.3 | R1076 T1079 E1080 I1084 H1085 A1086 T1094 | R1076-D1082 IonicContact CZ-OD1 3.3Å; R1076-D1082 IonicContact CZ-OD2 3.26Å; R1076-D1082 IonicContact NH1-OD1 3.7Å; R1076-D1082 PolarHBondContact NH1-OD1 3.07Å; R1076-D1082 IonicContact NH1-OD2 2.67Å; R1076-D1082 PolarHBondContact NH1-OD2 2.9Å; R1076-D1082 IonicContact NH2-OD1 3.76Å; R1076-D1082 PolarHBondContact NH2-OD1 2.92Å; R1076-D1082 IonicContact NH2-OD2 3Å; T1079-D1082 WeakPolarHBondContact CA-OD2 3.46Å; T1079-D1082 WeakPolarHBondContact CB-OD2 3.49Å; T1079-D1082 PolarHBondContact N-OD2 3.22Å; T1079-D1082 PolarHBondContact O-N 2.89Å; T1079-D1082 PolarHBondContact OG1-N 3.4Å; T1079-D1082 PolarHBondContact OG1-OD2 3.47Å; E1080-D1082 VanDerWaalsContact C-N 3.34Å; E1080-D1082 PolarHBondContact O-N 2.93Å; D1082-I1084 VanDerWaalsContact C-N 3.26Å; D1082-I1084 PolarHBondContact O-N 3.05Å; D1082-H1085 PolarHBondContact O-N 3.02Å; D1082-A1086 VanDerWaalsContact O-CB 3.22Å; D1082-A1086 WeakPolarHBondContact O-CB 3.43Å; D1082-A1086 PolarHBondContact O-N 3.29Å; D1082-T1094 HydrophobicContact CB-CG2 4.28Å |
| 1083 | L | 61.7 | Low | 54 | Low | 57 Ų | 57 | 105 Ų | 105 | 30% | 0.298 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 167.9 | -118.2 | 94.8 | 0 | 0 | 0 | 111.9 | T1079 E1080 T1094 I1095 F1098 | T1079-L1083 PolarHBondContact O-N 3.29Å; E1080-L1083 PolarHBondContact O-N 3.34Å; L1083-T1094 HydrophobicContact CD1-CG2 3.96Å; L1083-I1095 HydrophobicContact CD1-CG1 4.47Å; L1083-F1098 HydrophobicContact CD1-CB 4.13Å; L1083-F1098 HydrophobicContact CD1-CD2 3.56Å; L1083-F1098 HydrophobicContact CD1-CE2 4.05Å; L1083-F1098 HydrophobicContact CD1-CG 3.87Å |
| 1084 | I | 56.6 | Low | 55.4 | Low | 113 Ų | 113 | 99.6 Ų | 99.6 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.2 | -32.2 | 179.1 | -71.6 | 164.3 | 0 | 0 | 0 | 112.5 | E1080 L1081 D1082 | E1080-I1084 HydrophobicContact CG-CD1 4.38Å; E1080-I1084 WeakPolarHBondContact O-CD1 3.26Å; E1080-I1084 VanDerWaalsContact O-CG1 3.24Å; E1080-I1084 WeakPolarHBondContact O-CG1 3.2Å; E1080-I1084 PolarHBondContact O-N 2.96Å; E1080-I1084 VanDerWaalsContact O-N 3.16Å; L1081-I1084 PolarHBondContact O-N 3.38Å; D1082-I1084 VanDerWaalsContact C-N 3.26Å; D1082-I1084 PolarHBondContact O-N 3.05Å |
| 1085 | H | 61.2 | Low | 56.5 | Low | 140 Ų | 140 | 95.7 Ų | 95.7 | 65% | 0.648 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -107 | -1.8 | -177 | -61 | 94.9 | 0 | 0 | 0 | 114.6 | L1081 D1082 | L1081-H1085 PolarHBondContact O-N 3.25Å; L1081-H1085 VanDerWaalsContact O-N 3.1Å; L1081-H1085 PolarHBondContact O-ND1 2.79Å; D1082-H1085 PolarHBondContact O-N 3.02Å |
| 1086 | A | 67.3 | Low | 57.3 | Low | 26 Ų | 26 | 93 Ų | 93 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | trans | -61.9 | 136.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1082 D1090 L1091 | D1082-A1086 VanDerWaalsContact O-CB 3.22Å; D1082-A1086 WeakPolarHBondContact O-CB 3.43Å; D1082-A1086 PolarHBondContact O-N 3.29Å; A1086-D1090 HydrophobicContact CB-CB 4.35Å; A1086-L1091 HydrophobicContact CB-CD1 4.22Å | ||
| 1087 | K | 64.8 | Low | 57.7 | Low | 120 Ų | 120 | 91.2 Ų | 91.2 | 52% | 0.522 | 46% | 0.456 | S | S | . | . | trans | -69.7 | 166.2 | 171.3 | -53 | -177 | -167.3 | 166.1 | 0 | 110.5 | E1089 D1090 L1091 | K1087-E1089 HydrophobicContact CB-CB 4.47Å; K1087-E1089 WeakPolarHBondContact CB-OE1 3.35Å; K1087-E1089 WeakPolarHBondContact CD-OE1 3.37Å; K1087-E1089 IonicContact NZ-OE2 2.96Å; K1087-E1089 PolarHBondContact O-N 2.59Å; K1087-D1090 WeakPolarHBondContact CB-OD2 3.5Å; K1087-D1090 WeakPolarHBondContact CG-OD2 3.43Å; K1087-D1090 PolarHBondContact O-N 2.94Å; K1087-L1091 PolarHBondContact O-N 3Å | ||
| 1088 | K | 61.6 | Low | 58.2 | Low | 203 Ų | 203 | 88 Ų | 88 | 88% | 0.883 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34 | 171.2 | -171.9 | -175.4 | 176.4 | -171 | 0 | 112.4 | ||
| 1089 | E | 57 | Low | 58.6 | Low | 141 Ų | 141 | 94.6 Ų | 94.6 | 66% | 0.659 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -48.1 | 174.3 | -59.5 | 134.1 | -92.2 | 0 | 0 | 111.9 | K1087 | K1087-E1089 HydrophobicContact CB-CB 4.47Å; K1087-E1089 WeakPolarHBondContact CB-OE1 3.35Å; K1087-E1089 WeakPolarHBondContact CD-OE1 3.37Å; K1087-E1089 IonicContact NZ-OE2 2.96Å; K1087-E1089 PolarHBondContact O-N 2.59Å |
| 1090 | D | 60.2 | Low | 58.4 | Low | 67 Ų | 67 | 97.1 Ų | 97.1 | 36% | 0.358 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -20.6 | -170.6 | -57.2 | -58.4 | 0 | 0 | 0 | 113 | A1086 K1087 C1092 R1093 T1094 | A1086-D1090 HydrophobicContact CB-CB 4.35Å; K1087-D1090 WeakPolarHBondContact CB-OD2 3.5Å; K1087-D1090 WeakPolarHBondContact CG-OD2 3.43Å; K1087-D1090 PolarHBondContact O-N 2.94Å; D1090-C1092 VanDerWaalsContact C-N 3.3Å; D1090-C1092 PolarHBondContact O-N 3.13Å; D1090-C1092 VanDerWaalsContact O-N 3.14Å; D1090-R1093 WeakPolarHBondContact O-CA 3.5Å; D1090-R1093 WeakPolarHBondContact O-CB 3.14Å; D1090-R1093 PolarHBondContact O-N 3.36Å; D1090-T1094 PolarHBondContact O-N 3.18Å; D1090-T1094 PolarHBondContact O-OG1 3.21Å |
| 1091 | L | 59.5 | Low | 57.6 | Low | 72 Ų | 72 | 95.5 Ų | 95.5 | 38% | 0.377 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -51.1 | -45.1 | -169.1 | -156.5 | 88.9 | 0 | 0 | 0 | 113 | A1086 K1087 R1093 I1095 | A1086-L1091 HydrophobicContact CB-CD1 4.22Å; K1087-L1091 PolarHBondContact O-N 3Å; L1091-R1093 PolarHBondContact O-N 3.16Å; L1091-I1095 HydrophobicContact CD2-CD1 4.13Å; L1091-I1095 HydrophobicContact CG-CD1 4.02Å; L1091-I1095 VanDerWaalsContact O-CB 3.31Å; L1091-I1095 WeakPolarHBondContact O-CB 3.48Å; L1091-I1095 WeakPolarHBondContact O-CD1 3.19Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.31Å; L1091-I1095 PolarHBondContact O-N 3.28Å |
| 1092 | C | 55.4 | Low | 56.7 | Low | 94 Ų | 94 | 95.5 Ų | 95.5 | 64% | 0.635 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | 177.9 | -66 | 0 | 0 | 0 | 0 | 112.7 | D1090 Q1096 | D1090-C1092 VanDerWaalsContact C-N 3.3Å; D1090-C1092 PolarHBondContact O-N 3.13Å; D1090-C1092 VanDerWaalsContact O-N 3.14Å; C1092-Q1096 WeakPolarHBondContact O-CB 3.47Å; C1092-Q1096 PolarHBondContact O-N 3.1Å |
| 1093 | R | 52.7 | Low | 55.5 | Low | 107 Ų | 107 | 99.3 Ų | 99.3 | 40% | 0.404 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.1 | -42.5 | 178.8 | -163.3 | -178.2 | -159 | 83 | -7.8 | 111.1 | E730 D1090 L1091 I1095 Q1096 L1097 | E730-R1093 IonicContact OE1-CZ 3.86Å; E730-R1093 IonicContact OE1-NH1 2.76Å; E730-R1093 PolarHBondContact OE1-NH1 3.34Å; E730-R1093 IonicContact OE1-NH2 3.69Å; E730-R1093 PolarHBondContact OE1-NH2 3.41Å; E730-R1093 IonicContact OE2-CZ 2.75Å; E730-R1093 IonicContact OE2-NH1 2.8Å; E730-R1093 PolarHBondContact OE2-NH1 3.12Å; D1090-R1093 WeakPolarHBondContact O-CA 3.5Å; D1090-R1093 WeakPolarHBondContact O-CB 3.14Å; D1090-R1093 PolarHBondContact O-N 3.36Å; L1091-R1093 PolarHBondContact O-N 3.16Å; R1093-I1095 VanDerWaalsContact C-N 3.34Å; R1093-Q1096 PolarHBondContact O-N 3.42Å; R1093-L1097 HydrophobicContact CG-CD1 4.46Å; R1093-L1097 VanDerWaalsContact O-CG 3.31Å; R1093-L1097 WeakPolarHBondContact O-CG 3.44Å; R1093-L1097 PolarHBondContact O-N 2.94Å |
| 1094 | T | 61.6 | Low | 54.3 | Low | 20 Ų | 20 | 104.3 Ų | 104.3 | 12% | 0.123 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 174.1 | -53.2 | 0 | 0 | 0 | 0 | 111 | A1078 D1082 L1083 D1090 L1097 F1098 | A1078-T1094 HydrophobicContact CB-CG2 4.12Å; D1082-T1094 HydrophobicContact CB-CG2 4.28Å; L1083-T1094 HydrophobicContact CD1-CG2 3.96Å; D1090-T1094 PolarHBondContact O-N 3.18Å; D1090-T1094 PolarHBondContact O-OG1 3.21Å; T1094-L1097 PolarHBondContact O-N 2.87Å; T1094-F1098 VanDerWaalsContact O-CB 3.32Å; T1094-F1098 WeakPolarHBondContact O-CB 3.38Å; T1094-F1098 PolarHBondContact O-N 2.74Å |
| 1095 | I | 57.1 | Low | 53.1 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 34% | 0.344 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 173.4 | -71.4 | 167.4 | 0 | 0 | 0 | 111.2 | L1083 L1091 R1093 L1097 F1098 Y1099 | L1083-I1095 HydrophobicContact CD1-CG1 4.47Å; L1091-I1095 HydrophobicContact CD2-CD1 4.13Å; L1091-I1095 HydrophobicContact CG-CD1 4.02Å; L1091-I1095 VanDerWaalsContact O-CB 3.31Å; L1091-I1095 WeakPolarHBondContact O-CB 3.48Å; L1091-I1095 WeakPolarHBondContact O-CD1 3.19Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.31Å; L1091-I1095 PolarHBondContact O-N 3.28Å; R1093-I1095 VanDerWaalsContact C-N 3.34Å; I1095-L1097 PolarHBondContact O-N 2.88Å; I1095-F1098 PolarHBondContact O-N 3.01Å; I1095-F1098 VanDerWaalsContact O-N 3.17Å; I1095-Y1099 HydrophobicContact CG2-CD2 4.02Å; I1095-Y1099 HydrophobicContact CG2-CE2 4.34Å; I1095-Y1099 WeakPolarHBondContact O-CD2 3.26Å; I1095-Y1099 PolarHBondContact O-N 3.43Å; I1095-Y1099 VanDerWaalsContact O-N 3.13Å |
| 1096 | Q | 54.6 | Low | 51.5 | Low | 71 Ų | 71 | 105.7 Ų | 105.7 | 33% | 0.332 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -54.3 | -51.7 | 172.9 | -92.6 | 177.3 | -39.3 | 0 | 0 | 110.9 | C1092 R1093 F1098 Y1099 Q1100 | C1092-Q1096 WeakPolarHBondContact O-CB 3.47Å; C1092-Q1096 PolarHBondContact O-N 3.1Å; R1093-Q1096 PolarHBondContact O-N 3.42Å; Q1096-F1098 VanDerWaalsContact C-N 3.28Å; Q1096-F1098 PolarHBondContact O-N 3.48Å; Q1096-Y1099 CarbonylContact O-C 3.54Å; Q1096-Y1099 PolarHBondContact O-N 3.36Å; Q1096-Y1099 VanDerWaalsContact O-N 3.08Å; Q1096-Q1100 WeakPolarHBondContact O-CB 3.4Å; Q1096-Q1100 WeakPolarHBondContact O-CG 3.37Å; Q1096-Q1100 PolarHBondContact O-N 2.95Å |
| 1097 | L | 54.3 | Low | 49.6 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -33.3 | 178.4 | -68.6 | 168.4 | 0 | 0 | 0 | 113.3 | A1078 R1093 T1094 I1095 Y1099 | A1078-L1097 HydrophobicContact CB-CB 4.5Å; R1093-L1097 HydrophobicContact CG-CD1 4.46Å; R1093-L1097 VanDerWaalsContact O-CG 3.31Å; R1093-L1097 WeakPolarHBondContact O-CG 3.44Å; R1093-L1097 PolarHBondContact O-N 2.94Å; T1094-L1097 PolarHBondContact O-N 2.87Å; I1095-L1097 PolarHBondContact O-N 2.88Å; L1097-Y1099 VanDerWaalsContact C-N 3.32Å; L1097-Y1099 PolarHBondContact O-N 2.95Å |
| 1098 | F | 53 | Low | 47.9 | Very low | 91 Ų | 91 | 114.7 Ų | 114.7 | 40% | 0.399 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.7 | -21.7 | 177.1 | -153.5 | -88.6 | 0 | 0 | 0 | 113.5 | A1078 L1083 T1094 I1095 Q1096 | A1078-F1098 HydrophobicContact CB-CD2 4.05Å; A1078-F1098 WeakPolarHBondContact O-CD2 3.49Å; A1078-F1098 WeakPolarHBondContact O-CE2 3.33Å; L1083-F1098 HydrophobicContact CD1-CB 4.13Å; L1083-F1098 HydrophobicContact CD1-CD2 3.56Å; L1083-F1098 HydrophobicContact CD1-CE2 4.05Å; L1083-F1098 HydrophobicContact CD1-CG 3.87Å; T1094-F1098 VanDerWaalsContact O-CB 3.32Å; T1094-F1098 WeakPolarHBondContact O-CB 3.38Å; T1094-F1098 PolarHBondContact O-N 2.74Å; I1095-F1098 PolarHBondContact O-N 3.01Å; I1095-F1098 VanDerWaalsContact O-N 3.17Å; Q1096-F1098 VanDerWaalsContact C-N 3.28Å; Q1096-F1098 PolarHBondContact O-N 3.48Å |
| 1099 | Y | 56.2 | Low | 46.2 | Very low | 163 Ų | 163 | 115.1 Ų | 115.1 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -118.7 | -11.9 | -176.5 | -75.3 | -85.9 | 0 | 0 | 0 | 114.8 | I1095 Q1096 L1097 N1101 | I1095-Y1099 HydrophobicContact CG2-CD2 4.02Å; I1095-Y1099 HydrophobicContact CG2-CE2 4.34Å; I1095-Y1099 WeakPolarHBondContact O-CD2 3.26Å; I1095-Y1099 PolarHBondContact O-N 3.43Å; I1095-Y1099 VanDerWaalsContact O-N 3.13Å; Q1096-Y1099 CarbonylContact O-C 3.54Å; Q1096-Y1099 PolarHBondContact O-N 3.36Å; Q1096-Y1099 VanDerWaalsContact O-N 3.08Å; L1097-Y1099 VanDerWaalsContact C-N 3.32Å; L1097-Y1099 PolarHBondContact O-N 2.95Å; Y1099-N1101 VanDerWaalsContact C-N 3.31Å; Y1099-N1101 PolarHBondContact O-N 2.93Å |
| 1100 | Q | 52.6 | Low | 44.8 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -77.2 | -6.4 | -179.6 | -83.6 | 172.1 | -26.9 | 0 | 0 | 114.8 | Q1096 P1102 | Q1096-Q1100 WeakPolarHBondContact O-CB 3.4Å; Q1096-Q1100 WeakPolarHBondContact O-CG 3.37Å; Q1096-Q1100 PolarHBondContact O-N 2.95Å; Q1100-P1102 VanDerWaalsContact C-CD 3.44Å; Q1100-P1102 WeakPolarHBondContact O-CD 3.46Å |
| 1101 | N | 40.4 | Very low | 43.3 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | trans | -118.7 | 69.6 | 171.6 | -81 | -74.6 | 0 | 0 | 0 | 113.2 | Y1099 T1103 | Y1099-N1101 VanDerWaalsContact C-N 3.31Å; Y1099-N1101 PolarHBondContact O-N 2.93Å; N1101-T1103 PolarHBondContact O-N 3.15Å; N1101-T1103 VanDerWaalsContact O-N 3.13Å | ||
| 1102 | P | 39.1 | Very low | 41.8 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -10.1 | 177.3 | -18.3 | 32.2 | 0 | 0 | 0 | 114.8 | Q1100 | Q1100-P1102 VanDerWaalsContact C-CD 3.44Å; Q1100-P1102 WeakPolarHBondContact O-CD 3.46Å |
| 1103 | T | 38.9 | Very low | 40.6 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 9.1 | -157.5 | 49.3 | 0 | 0 | 0 | 0 | 115.3 | N1101 | N1101-T1103 PolarHBondContact O-N 3.15Å; N1101-T1103 VanDerWaalsContact O-N 3.13Å |
| 1104 | K | 35.5 | Very low | 39.6 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -125.6 | 1.8 | 179.8 | -73.9 | -175.3 | 176.7 | 173.7 | 0 | 116 | H1106 | K1104-H1106 PolarHBondContact O-N 3.38Š|
| 1105 | V | 31.6 | Very low | 38.2 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | trans | -92.4 | 69.5 | 178.4 | -168.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1106 | H | 28.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.745 | 70% | 0.698 | S | S | * | * | trans | -144 | 152.6 | 167.9 | -95.5 | -86.2 | 0 | 0 | 0 | 110.2 | K1104 | K1104-H1106 PolarHBondContact O-N 3.38Š| ||
| 1107 | H | 27.9 | Very low | 35.7 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | 69.9 | 82.6 | -172.1 | -53.3 | -76.5 | 0 | 0 | 0 | 116.5 | ||||
| 1108 | I | 27.8 | Very low | 34.5 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | S | Bend | -163.3 | 135.4 | 124.9 | -95.4 | 149.2 | 0 | 0 | 0 | 106 | |||
| 1109 | Y | 26.1 | Very low | 33.5 | Very low | 212 Ų | 212 | 143.8 Ų | 143.8 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 62.8 | 83.8 | -163.8 | -52.5 | -72.2 | 0 | 0 | 0 | 114.7 | ||
| 1110 | D | 28.1 | Very low | 32.2 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | -155.1 | 130.6 | 108.4 | -100.6 | -31.4 | 0 | 0 | 0 | 109.4 | |||||
| 1111 | S | 27.5 | Very low | 31 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -153.7 | 82.7 | -178.6 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1112 | N | 28 | Very low | 30.5 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 176.2 | 145 | 157 | -89.6 | -25.1 | 0 | 0 | 0 | 108.6 | ||||
| 1113 | I | 31.8 | Very low | 30.1 | Very low | 158 Ų | 158 | 146 Ų | 146 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 68 | 92.5 | 176 | -49.7 | 159.5 | 0 | 0 | 0 | 111.4 | ||||
| 1114 | D | 30 | Very low | 29.8 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | cis | 81.1 | 159.7 | 43.7 | -149.7 | 4.4 | 0 | 0 | 0 | 113.2 | ||||
| 1115 | D | 33.1 | Very low | 29.4 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 66.1 | 119.3 | -165.6 | -63.2 | -41.8 | 0 | 0 | 0 | 115.2 | ||||
| 1116 | G | 28.1 | Very low | 29.4 | Very low | 74 Ų | 74 | 147.6 Ų | 147.6 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -122.1 | -167.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1117 | D | 32.1 | Very low | 29.5 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -158.6 | 166.9 | 133.5 | -135.2 | -33.8 | 0 | 0 | 0 | 112.8 | ||||
| 1118 | N | 29 | Very low | 29.8 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -65.6 | 152.1 | -176.8 | -65.4 | -92.6 | 0 | 0 | 0 | 113.9 | ||||
| 1119 | I | 30.4 | Very low | 30 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | -171.4 | 156 | 104.5 | -94 | 159.7 | 0 | 0 | 0 | 111.1 | |||||
| 1120 | D | 29.9 | Very low | 30.3 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -103.1 | -177.5 | -163.9 | -179.3 | 31.4 | 0 | 0 | 0 | 113.5 | ||||
| 1121 | L | 27.4 | Very low | 30.5 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 95 | 129.6 | 159.4 | -52.5 | 171.9 | 0 | 0 | 0 | 118.7 | ||||
| 1122 | G | 30 | Very low | 30.7 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 155.4 | 48.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1123 | D | 30.3 | Very low | 30.9 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -65.4 | 150.3 | 173.2 | -97.2 | -48.5 | 0 | 0 | 0 | 114.4 | ||||
| 1124 | T | 31.7 | Very low | 30.9 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -166.2 | 149.4 | 135.3 | 6.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1125 | S | 28.7 | Very low | 30.9 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -153.9 | 162.1 | -176.3 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1126 | F | 30.2 | Very low | 30.8 | Very low | 195 Ų | 195 | 127.3 Ų | 127.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -143 | 106 | 169.7 | -88.7 | -97.9 | 0 | 0 | 0 | 107.5 | ||||
| 1127 | T | 32.3 | Very low | 31 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | 69.2 | 143 | 80.5 | 61.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1128 | S | 32.9 | Very low | 31.1 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | cis | -167.2 | -179.9 | -20.8 | 77.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1129 | S | 32.7 | Very low | 31.2 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -155.1 | -147 | -2 | 55.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1130 | S | 32 | Very low | 31.2 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -172 | 172.9 | -16.4 | 34.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1131 | S | 32.9 | Very low | 31.1 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | -167.5 | 155.7 | -51.8 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1132 | S | 32.3 | Very low | 31.1 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 66.8 | 150.7 | 153.3 | 52.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1133 | S | 31.4 | Very low | 31 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | cis | -174.3 | -180 | -15.1 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1134 | L | 32 | Very low | 31 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | trans | 86.9 | 155.2 | 165.9 | -56.9 | 159.4 | 0 | 0 | 0 | 119.4 | ||||
| 1135 | L | 29.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 67% | 0.665 | 71% | 0.713 | S | S | * | * | cis | -170.5 | 146.6 | -44 | -153.2 | 77.4 | 0 | 0 | 0 | 112.4 | ||||
| 1136 | Q | 31.6 | Very low | 31 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | 64.7 | 156.6 | 156.7 | -86.8 | 171.2 | -1.8 | 0 | 0 | 120 | ||||
| 1137 | Q | 31 | Very low | 31.2 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | cis | -167.7 | 160 | -21.2 | -134.3 | 178.6 | -4.5 | 0 | 0 | 112.5 | ||||
| 1138 | H | 34.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | trans | 67.9 | 163.2 | 159.1 | -83.5 | 42.7 | 0 | 0 | 0 | 120 | ||||
| 1139 | Q | 30.5 | Very low | 31.1 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | cis | -171.4 | 168 | -42.5 | -125.9 | -170.1 | 29 | 0 | 0 | 111.2 | ||||
| 1140 | H | 31.6 | Very low | 31 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | trans | 69.7 | 156.5 | 164.4 | -111.1 | 60.1 | 0 | 0 | 0 | 118 | ||||
| 1141 | Q | 28 | Very low | 31 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 59% | 0.589 | 70% | 0.697 | S | S | * | * | cis | -171.5 | 157.9 | -43.2 | -121.7 | -169 | 26 | 0 | 0 | 111 | ||||
| 1142 | Q | 27.4 | Very low | 30.9 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | 64.5 | 161.7 | 152.2 | -72.4 | -171.9 | 39.9 | 0 | 0 | 119.6 | ||||
| 1143 | Q | 27.4 | Very low | 30.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | cis | -170.1 | 178.8 | -36.9 | -113.6 | -175.5 | 18.8 | 0 | 0 | 109 | ||||
| 1144 | L | 29.9 | Very low | 30.5 | Very low | 149 Ų | 149 | 140 Ų | 140 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | trans | 75.3 | 155.8 | 164.9 | -57.1 | 171 | 0 | 0 | 0 | 119.1 | ||||
| 1145 | H | 30.9 | Very low | 30.4 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | cis | -169.3 | 157.2 | -45.1 | -140.9 | -103.9 | 0 | 0 | 0 | 111.5 | ||||
| 1146 | H | 30.6 | Very low | 30.5 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 65% | 0.653 | 70% | 0.704 | S | S | * | * | trans | 67.1 | 160.6 | 160.9 | -89.4 | -12.8 | 0 | 0 | 0 | 118.6 | ||||
| 1147 | H | 34.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 61% | 0.611 | 70% | 0.704 | S | S | * | * | cis | -143.4 | 144.8 | 16.3 | -145.9 | 45.4 | 0 | 0 | 0 | 114.4 | ||||
| 1148 | Q | 32.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | trans | 31 | 127.9 | 144.3 | -64.5 | -178.3 | 13.1 | 0 | 0 | 121.5 | ||||
| 1149 | S | 29.5 | Very low | 30.2 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | 83.9 | 120.6 | 52.1 | 170 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1150 | M | 31.6 | Very low | 30.2 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | trans | -159.7 | 117.8 | 143.4 | -98.7 | -55.2 | -164.6 | 0 | 0 | 112.4 | ||||
| 1151 | L | 32.4 | Very low | 30.3 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | trans | 32.9 | 124.4 | 145.9 | -54.1 | 176.4 | 0 | 0 | 0 | 120.8 | ||||
| 1152 | K | 29.5 | Very low | 30.5 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | 64.7 | 106.4 | 63.8 | -69.3 | -173.6 | 176.2 | 178.8 | 0 | 115.9 | |||||
| 1153 | S | 28.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | 62.3 | 160.9 | 115.8 | 90.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 1154 | S | 27.9 | Very low | 30.8 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | cis | -163.9 | 158.8 | 9.3 | 11.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1155 | S | 29.1 | Very low | 31 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 49.7 | 125.7 | 147.2 | 65.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1156 | K | 32 | Very low | 30.9 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | 170.9 | 111.2 | 121.4 | -91.6 | 165.8 | -178.2 | -179.4 | 0 | 108.2 | |||||
| 1157 | S | 27.8 | Very low | 31.1 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | 64.9 | 111.9 | 77.7 | 76.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1158 | N | 32.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | -142 | 151.9 | 151.9 | -99.1 | -12.7 | 0 | 0 | 0 | 108 | ||||
| 1159 | Q | 29.7 | Very low | 30.7 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -101.9 | -150.2 | 179.2 | -63.8 | 178.9 | -102.4 | 0 | 0 | 109.8 | ||||
| 1160 | D | 31.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 77.9 | 140.9 | 166.3 | -59.7 | -15.3 | 0 | 0 | 0 | 116.4 | ||||
| 1161 | I | 33 | Very low | 30.8 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 65% | 0.651 | 75% | 0.752 | S | S | * | * | cis | -159.1 | 138.5 | -2.5 | -123.6 | 168.3 | 0 | 0 | 0 | 111.4 | ||||
| 1162 | T | 32.6 | Very low | 30.9 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | 57.4 | 170.3 | 154.7 | 63.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1163 | S | 30.6 | Very low | 31 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -168.4 | 145.7 | -38 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1164 | V | 30.2 | Very low | 31.2 | Very low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | 49.2 | 128.4 | 141.7 | -179.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1165 | G | 34.7 | Very low | 31.4 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -160.7 | 60.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1166 | N | 28.9 | Very low | 31.5 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -100.9 | 127.6 | -180 | -91.5 | -4.9 | 0 | 0 | 0 | 112.4 | ||||
| 1167 | T | 33.6 | Very low | 31.5 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | -152.9 | 148.1 | 155.8 | 43.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1168 | T | 30.7 | Very low | 31.5 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | 169.2 | 128.6 | -43.4 | 29.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1169 | T | 29.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 63.4 | 159.8 | 152.6 | 60.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1170 | T | 32.1 | Very low | 31.3 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | cis | -135.3 | 136 | 11.6 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1171 | T | 29.6 | Very low | 31.2 | Very low | 108 Ų | 108 | 121 Ų | 121 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | 56.8 | 114.9 | 54.8 | 65.3 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1172 | H | 34.7 | Very low | 31 | Very low | 166 Ų | 166 | 120.8 Ų | 120.8 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -168.6 | 117 | 141.1 | -109.4 | -71.4 | 0 | 0 | 0 | 113.8 | ||||
| 1173 | T | 32.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | trans | 54.2 | 146.5 | 134.9 | 52.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1174 | T | 32.9 | Very low | 30.6 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | -176.2 | 163.9 | 5.8 | 17.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1175 | N | 32 | Very low | 30.4 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | cis | -166.5 | 169.2 | -16.4 | -158.2 | -6.8 | 0 | 0 | 0 | 109.7 | ||||
| 1176 | S | 31.1 | Very low | 30.3 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 59.1 | 148 | 154.6 | 47 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1177 | S | 31.9 | Very low | 31 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | cis | -168.4 | 152.3 | -9.7 | 46.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1178 | S | 28.1 | Very low | 32.2 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 69.3 | 138.6 | 143.4 | 57.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1179 | T | 30.5 | Very low | 34.2 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | 71.4 | 86 | 145.4 | 44.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1180 | T | 26.4 | Very low | 36.7 | Very low | 131 Ų | 131 | 116.9 Ų | 116.9 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | 27.3 | 110.2 | 120.2 | 55.3 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1181 | T | 30.5 | Very low | 39 | Very low | 147 Ų | 147 | 119.2 Ų | 119.2 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -147.4 | 163.6 | 141.4 | 13.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1182 | T | 27.4 | Very low | 41.5 | Very low | 122 Ų | 122 | 115.7 Ų | 115.7 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | trans | -92.8 | 146.9 | -169.6 | 49 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1183 | T | 26.5 | Very low | 43.6 | Very low | 137 Ų | 137 | 111 Ų | 111 | 84% | 0.84 | 67% | 0.668 | S | S | * | * | trans | 62.5 | 159 | 169.3 | 67.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1184 | P | 28.8 | Very low | 45.7 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | cis | -114.4 | 174.5 | -13.8 | 40.4 | -28.1 | 0 | 0 | 0 | 113.4 | ||||
| 1185 | S | 27.3 | Very low | 48.1 | Very low | 113 Ų | 113 | 104.9 Ų | 104.9 | 79% | 0.79 | 63% | 0.626 | S | S | * | * | trans | -84.2 | 133.7 | 178.2 | 53 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1186 | N | 32.4 | Very low | 50.7 | Low | 147 Ų | 147 | 99.4 Ų | 99.4 | 79% | 0.786 | 60% | 0.597 | S | S | * | * | trans | -147.7 | 99 | 169.1 | -100.5 | -28 | 0 | 0 | 0 | 112 | ||||
| 1187 | T | 42.6 | Very low | 53.5 | Low | 129 Ų | 129 | 94.7 Ų | 94.7 | 79% | 0.791 | 56% | 0.564 | S | S | * | * | trans | -98 | 100.7 | 157.8 | 42.6 | 0 | 0 | 0 | 0 | 107.7 | T1189 | T1187-T1189 PolarHBondContact O-N 3.41Š| ||
| 1188 | T | 59.5 | Low | 56.1 | Low | 123 Ų | 123 | 94.5 Ų | 94.5 | 76% | 0.755 | 55% | 0.552 | S | S | * | * | trans | -69.8 | 97.1 | -174.7 | 24.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1189 | T | 73 | Confident | 58.9 | Low | 55 Ų | 55 | 93.8 Ų | 93.8 | 34% | 0.337 | 54% | 0.54 | S | S | . | . | trans | -86.3 | 148.2 | 165.1 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | T1187 N1196 F1197 L1229 | T1187-T1189 PolarHBondContact O-N 3.41Å; T1189-N1196 VanDerWaalsContact CB-OD1 3.29Å; T1189-N1196 WeakPolarHBondContact CB-OD1 3.11Å; T1189-N1196 PolarHBondContact OG1-OD1 3.33Å; T1189-F1197 CarbonylContact C-O 3.58Å; T1189-F1197 WeakPolarHBondContact CA-O 3.34Å; T1189-F1197 WeakPolarHBondContact CB-O 3.33Å; T1189-L1229 HydrophobicContact CG2-CD1 3.62Å | ||
| 1190 | I | 80 | Confident | 61.1 | Low | 49 Ų | 49 | 90.2 Ų | 90.2 | 25% | 0.251 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.5 | -176.4 | -59.9 | 174 | 0 | 0 | 0 | 108.6 | F1197 L1226 F1237 V1240 | I1190-F1197 HydrophobicContact CB-CB 4.25Å; I1190-F1197 PolarHBondContact N-O 2.96Å; I1190-F1197 PolarHBondContact O-N 2.94Å; I1190-L1226 HydrophobicContact CD1-CD1 4.12Å; I1190-L1226 HydrophobicContact CD1-CD2 3.93Å; I1190-F1237 HydrophobicContact CD1-CD2 4.11Å; I1190-F1237 HydrophobicContact CD1-CE2 3.75Å; I1190-V1240 HydrophobicContact CG2-CG1 4.08Å |
| 1191 | Q | 80.6 | Confident | 62.9 | Low | 164 Ų | 164 | 88.3 Ų | 88.3 | 77% | 0.766 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.8 | 174.9 | -70.6 | -172.9 | -8.2 | 0 | 0 | 110.8 | H1195 N1196 | Q1191-H1195 VanDerWaalsContact CA-O 3.32Å; Q1191-H1195 WeakPolarHBondContact CA-O 3.17Å; Q1191-N1196 WeakPolarHBondContact CG-OD1 3.39Å |
| 1192 | W | 82.3 | Confident | 64.2 | Low | 33 Ų | 33 | 89.9 Ų | 89.9 | 13% | 0.125 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 132.2 | -179.7 | 179.7 | 71.4 | 0 | 0 | 0 | 110.8 | N1194 H1195 F1197 I1211 I1235 V1240 E1244 C1246 | W1192-N1194 VanDerWaalsContact C-N 3.29Å; W1192-N1194 PolarHBondContact O-N 3.33Å; W1192-H1195 PolarHBondContact N-O 3.41Å; W1192-H1195 VanDerWaalsContact N-O 3.08Å; W1192-H1195 VanDerWaalsContact O-CB 3.31Å; W1192-H1195 WeakPolarHBondContact O-CB 3.34Å; W1192-H1195 PolarHBondContact O-N 3.42Å; W1192-F1197 AromaticContact CE3-CE2 3.84Å; W1192-F1197 HydrophobicContact CE3-CE2 3.84Å; W1192-F1197 HydrophobicContact CZ3-CE2 4.47Å; W1192-I1211 HydrophobicContact CH2-CD1 4.3Å; W1192-I1211 HydrophobicContact CZ3-CD1 4.38Å; W1192-I1235 HydrophobicContact CE3-CD1 4.03Å; W1192-I1235 HydrophobicContact CZ3-CD1 3.62Å; W1192-V1240 HydrophobicContact CB-CG1 4.17Å; W1192-V1240 HydrophobicContact CD2-CB 4.48Å; W1192-V1240 HydrophobicContact CD2-CG1 4.16Å; W1192-V1240 HydrophobicContact CD2-CG2 4.11Å; W1192-V1240 HydrophobicContact CE3-CG2 3.8Å; W1192-V1240 HydrophobicContact CG-CG1 3.92Å; W1192-V1240 HydrophobicContact CZ3-CG2 4.18Å; W1192-E1244 WeakPolarHBondContact CH2-O 3.49Å; W1192-E1244 WeakPolarHBondContact CZ2-O 3.5Å; W1192-C1246 HydrophobicContact CH2-CB 4.09Å; W1192-C1246 HydrophobicContact CZ3-CB 4.14Å; W1192-C1246 WeakPolarHBondContact CZ3-SG 3.32Å |
| 1193 | M | 78.4 | Confident | 65.6 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 34% | 0.34 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 47.6 | -176.4 | -58.8 | -65.9 | -81.8 | 0 | 0 | 112.8 | H1195 C1246 P1248 C1249 | M1193-H1195 PolarHBondContact O-CD2 3.04Å; M1193-H1195 PolarHBondContact O-N 2.93Å; M1193-C1246 VanDerWaalsContact CE-O 3.26Å; M1193-C1246 WeakPolarHBondContact CE-O 3.47Å; M1193-P1248 HydrophobicContact CE-CG 4.46Å; M1193-P1248 CarbonylContact O-C 3.46Å; M1193-P1248 WeakPolarHBondContact O-CA 3.45Å; M1193-C1249 PolarHBondContact O-N 2.95Å |
| 1194 | N | 78.5 | Confident | 66.9 | Low | 106 Ų | 106 | 90.2 Ų | 90.2 | 57% | 0.567 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -16.7 | -168.8 | -65.1 | -2.7 | 0 | 0 | 0 | 116.7 | W1192 C1249 A1252 | W1192-N1194 VanDerWaalsContact C-N 3.29Å; W1192-N1194 PolarHBondContact O-N 3.33Å; N1194-C1249 HydrophobicContact CB-CB 3.97Å; N1194-A1252 HydrophobicContact CB-CB 4.43Å; N1194-A1252 WeakPolarHBondContact O-CB 3.48Å |
| 1195 | H | 82.8 | Confident | 68.3 | Low | 2 Ų | 2 | 87.5 Ų | 87.5 | 1% | 0.009 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 153.4 | 175.4 | -64.1 | -80.8 | 0 | 0 | 0 | 111.2 | Q1191 W1192 M1193 F1197 C1228 C1231 M1233 I1247 C1249 | Q1191-H1195 VanDerWaalsContact CA-O 3.32Å; Q1191-H1195 WeakPolarHBondContact CA-O 3.17Å; W1192-H1195 PolarHBondContact N-O 3.41Å; W1192-H1195 VanDerWaalsContact N-O 3.08Å; W1192-H1195 VanDerWaalsContact O-CB 3.31Å; W1192-H1195 WeakPolarHBondContact O-CB 3.34Å; W1192-H1195 PolarHBondContact O-N 3.42Å; M1193-H1195 PolarHBondContact O-CD2 3.04Å; M1193-H1195 PolarHBondContact O-N 2.93Å; H1195-F1197 HydrophobicContact CB-CD2 3.62Å; H1195-F1197 HydrophobicContact CB-CE1 4.41Å; H1195-F1197 HydrophobicContact CB-CE2 3.14Å; H1195-F1197 HydrophobicContact CB-CG 4.43Å; H1195-F1197 HydrophobicContact CB-CZ 3.59Å; H1195-F1197 AromaticContact CG-CE2 3.66Å; H1195-F1197 AromaticContact CG-CZ 3.66Å; H1195-C1228 HydrophobicContact CB-CB 4.06Å; H1195-C1228 VanDerWaalsContact CB-SG 3.53Å; H1195-C1228 PolarHBondContact ND1-SG 3.02Å; H1195-C1231 PolarHBondContact CE1-SG 2.9Å; H1195-C1231 PolarHBondContact ND1-SG 2.95Å; H1195-M1233 WeakPolarHBondContact CE1-CE 3.33Å; H1195-M1233 WeakPolarHBondContact NE2-CE 3.49Å; H1195-I1247 PolarHBondContact NE2-O 3.04Å; H1195-C1249 HydrophobicContact CB-CB 4.17Å; H1195-C1249 VanDerWaalsContact ND1-CB 3.35Å; H1195-C1249 WeakPolarHBondContact ND1-CB 3.35Å; H1195-C1249 PolarHBondContact NE2-N 2.81Å |
| 1196 | N | 86.2 | Confident | 70.2 | Confident | 24 Ų | 24 | 89.2 Ų | 89.2 | 13% | 0.128 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 89.6 | 172.6 | -169.3 | 42.2 | 0 | 0 | 0 | 107.8 | T1189 Q1191 C1228 L1229 H1230 | T1189-N1196 VanDerWaalsContact CB-OD1 3.29Å; T1189-N1196 WeakPolarHBondContact CB-OD1 3.11Å; T1189-N1196 PolarHBondContact OG1-OD1 3.33Å; Q1191-N1196 WeakPolarHBondContact CG-OD1 3.39Å; N1196-C1228 PolarHBondContact N-SG 3.21Å; N1196-L1229 WeakPolarHBondContact O-CB 3.32Å; N1196-L1229 PolarHBondContact O-N 3.45Å; N1196-H1230 VanDerWaalsContact CB-CE1 3.46Å; N1196-H1230 WeakPolarHBondContact CB-CE1 3.3Å; N1196-H1230 WeakPolarHBondContact CB-ND1 3.45Å |
| 1197 | F | 89.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 135.7 | -171.5 | -74.4 | -76.7 | 0 | 0 | 0 | 112.4 | T1189 I1190 W1192 H1195 L1226 E1227 C1228 M1233 I1235 | T1189-F1197 CarbonylContact C-O 3.58Å; T1189-F1197 WeakPolarHBondContact CA-O 3.34Å; T1189-F1197 WeakPolarHBondContact CB-O 3.33Å; I1190-F1197 HydrophobicContact CB-CB 4.25Å; I1190-F1197 PolarHBondContact N-O 2.96Å; I1190-F1197 PolarHBondContact O-N 2.94Å; W1192-F1197 AromaticContact CE3-CE2 3.84Å; W1192-F1197 HydrophobicContact CE3-CE2 3.84Å; W1192-F1197 HydrophobicContact CZ3-CE2 4.47Å; H1195-F1197 HydrophobicContact CB-CD2 3.62Å; H1195-F1197 HydrophobicContact CB-CE1 4.41Å; H1195-F1197 HydrophobicContact CB-CE2 3.14Å; H1195-F1197 HydrophobicContact CB-CG 4.43Å; H1195-F1197 HydrophobicContact CB-CZ 3.59Å; H1195-F1197 AromaticContact CG-CE2 3.66Å; H1195-F1197 AromaticContact CG-CZ 3.66Å; F1197-L1226 HydrophobicContact CB-CB 3.98Å; F1197-L1226 HydrophobicContact CB-CD1 4.13Å; F1197-L1226 HydrophobicContact CB-CD2 4.4Å; F1197-L1226 HydrophobicContact CB-CG 4.41Å; F1197-L1226 HydrophobicContact CD1-CB 3.7Å; F1197-L1226 HydrophobicContact CG-CB 4.04Å; F1197-L1226 HydrophobicContact CG-CD1 4.28Å; F1197-E1227 CarbonylContact C-O 3.55Å; F1197-E1227 WeakPolarHBondContact CA-O 3.49Å; F1197-C1228 HydrophobicContact CD1-CB 3.97Å; F1197-C1228 HydrophobicContact CE1-CB 3.78Å; F1197-C1228 HydrophobicContact CZ-CB 4.27Å; F1197-M1233 WeakPolarHBondContact CE1-O 3.24Å; F1197-I1235 HydrophobicContact CD1-CD1 4.38Å; F1197-I1235 HydrophobicContact CD1-CG1 4.25Å; F1197-I1235 HydrophobicContact CD2-CD1 4.4Å; F1197-I1235 HydrophobicContact CE1-CD1 3.75Å; F1197-I1235 HydrophobicContact CE1-CG1 3.72Å; F1197-I1235 HydrophobicContact CE2-CD1 3.75Å; F1197-I1235 HydrophobicContact CZ-CD1 3.4Å; F1197-I1235 HydrophobicContact CZ-CG1 3.92Å |
| 1198 | Q | 87.8 | Confident | 74.2 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 45% | 0.453 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 147.3 | 164.8 | 178 | 172.7 | -26.6 | 0 | 0 | 109.7 | M1200 L1226 E1227 L1229 | Q1198-M1200 PolarHBondContact O-N 3.48Å; Q1198-L1226 CarbonylContact O-C 3.56Å; Q1198-L1226 WeakPolarHBondContact O-CA 3.28Å; Q1198-E1227 PolarHBondContact N-O 3.29Å; Q1198-E1227 PolarHBondContact O-N 2.94Å; Q1198-L1229 HydrophobicContact CB-CD1 4.33Å; Q1198-L1229 HydrophobicContact CB-CD2 4.24Å; Q1198-L1229 HydrophobicContact CB-CG 4.14Å |
| 1199 | L | 85.3 | Confident | 75.6 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.6 | 172.6 | -169.9 | 76.2 | 0 | 0 | 0 | 110.9 | K1224 A1225 L1226 | L1199-K1224 HydrophobicContact CD1-CB 4.43Å; L1199-A1225 WeakPolarHBondContact CD1-O 3.43Å; L1199-L1226 HydrophobicContact CD1-CD2 4.18Å |
| 1200 | M | 76.6 | Confident | 76.3 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 21% | 0.207 | 39% | 0.394 | C | S | . | . | trans | -76.1 | 135.9 | 175.4 | -60 | -174.5 | 77 | 0 | 0 | 110.8 | Q1198 I1207 A1225 E1227 R1234 | Q1198-M1200 PolarHBondContact O-N 3.48Å; M1200-I1207 HydrophobicContact CE-CD1 4.02Å; M1200-I1207 HydrophobicContact CE-CG2 4.31Å; M1200-A1225 HydrophobicContact CB-CB 4.21Å; M1200-A1225 HydrophobicContact CG-CB 4.24Å; M1200-A1225 PolarHBondContact N-O 3.36Å; M1200-A1225 HydrophobicContact SD-CB 3.84Å; M1200-E1227 WeakPolarHBondContact CE-OE2 3.47Å; M1200-E1227 HydrophobicContact CG-CB 3.77Å; M1200-E1227 HydrophobicContact SD-CB 4.13Å; M1200-R1234 HydrophobicContact CE-CG 4.05Å; M1200-R1234 HydrophobicContact SD-CB 4.28Å; M1200-R1234 HydrophobicContact SD-CG 3.84Å | ||
| 1201 | T | 64.1 | Low | 76.5 | Confident | 91 Ų | 91 | 76.3 Ų | 76.3 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | trans | -130.1 | 30.1 | -173.6 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1202 | Y | 59.7 | Low | 76.9 | Confident | 181 Ų | 181 | 70.6 Ų | 70.6 | 71% | 0.71 | 37% | 0.371 | S | S | * | . | trans | -131.9 | 128.5 | -173.5 | -64.1 | -73.6 | 0 | 0 | 0 | 113 | L1204 | Y1202-L1204 PolarHBondContact O-N 3.4Š| ||
| 1203 | H | 55 | Low | 77.1 | Confident | 152 Ų | 152 | 75.4 Ų | 75.4 | 70% | 0.704 | 39% | 0.394 | S | S | * | . | trans | -80.6 | 55.5 | 178.4 | -60.9 | -88.5 | 0 | 0 | 0 | 112.3 | ||||
| 1204 | L | 54.9 | Low | 77.3 | Confident | 113 Ų | 113 | 79.2 Ų | 79.2 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | trans | -91.6 | 115.9 | 173.1 | -79.3 | 162.6 | 0 | 0 | 0 | 109.3 | Y1202 I1207 S1217 | Y1202-L1204 PolarHBondContact O-N 3.4Å; L1204-I1207 HydrophobicContact CB-CD1 3.8Å; L1204-I1207 HydrophobicContact CB-CG1 4.44Å; L1204-S1217 VanDerWaalsContact O-CB 3.25Å; L1204-S1217 WeakPolarHBondContact O-CB 3.33Å; L1204-S1217 PolarHBondContact O-OG 3.38Å | ||
| 1205 | G | 58.9 | Low | 77.4 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 63% | 0.629 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 159.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1207 | G1205-I1207 PolarHBondContact O-N 3.39Š|
| 1206 | N | 66.2 | Low | 77 | Confident | 148 Ų | 148 | 77.5 Ų | 77.5 | 79% | 0.791 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 28 | 177.1 | -59.4 | -12.3 | 0 | 0 | 0 | 115.9 | ||
| 1207 | I | 75.4 | Confident | 76.1 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 116.7 | 168.1 | -61.9 | 178.8 | 0 | 0 | 0 | 108.7 | M1200 L1204 G1205 N1215 C1216 | M1200-I1207 HydrophobicContact CE-CD1 4.02Å; M1200-I1207 HydrophobicContact CE-CG2 4.31Å; L1204-I1207 HydrophobicContact CB-CD1 3.8Å; L1204-I1207 HydrophobicContact CB-CG1 4.44Å; G1205-I1207 PolarHBondContact O-N 3.39Å; I1207-N1215 CarbonylContact O-C 3.52Å; I1207-N1215 WeakPolarHBondContact O-CA 3.45Å; I1207-N1215 PolarHBondContact O-OD1 3.31Å; I1207-C1216 HydrophobicContact CB-CB 4.32Å; I1207-C1216 HydrophobicContact CG2-CB 3.9Å; I1207-C1216 WeakPolarHBondContact O-CB 3.46Å; I1207-C1216 PolarHBondContact O-N 3.02Å |
| 1208 | L | 84.5 | Confident | 74.8 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -92.6 | 156.3 | 176.8 | -57.1 | -177.4 | 0 | 0 | 0 | 112.2 | ||
| 1209 | C | 88.9 | Confident | 73.4 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 133.8 | 170 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | I1211 H1213 K1214 R1234 H1236 H1239 | C1209-I1211 PolarHBondContact O-N 3.45Å; C1209-I1211 PolarHBondContact SG-N 3.04Å; C1209-H1213 WeakPolarHBondContact O-CA 3.32Å; C1209-H1213 PolarHBondContact O-N 3.14Å; C1209-H1213 PolarHBondContact O-ND1 2.87Å; C1209-K1214 WeakPolarHBondContact CB-O 3.39Å; C1209-K1214 PolarHBondContact N-O 3.29Å; C1209-R1234 CarbonylContact C-O 3.57Å; C1209-R1234 WeakPolarHBondContact CA-O 3.4Å; C1209-H1236 VanDerWaalsContact CB-CE1 3.48Å; C1209-H1236 WeakPolarHBondContact CB-CE1 3.4Å; C1209-H1236 WeakPolarHBondContact CB-ND1 3.46Å; C1209-H1239 PolarHBondContact SG-NE2 2.93Å |
| 1210 | D | 86.5 | Confident | 72.2 | Confident | 70 Ų | 70 | 87.6 Ų | 87.6 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.3 | 179.6 | -64.7 | -45.4 | 0 | 0 | 0 | 114.3 | M1233 R1234 | D1210-M1233 HydrophobicContact CB-CG 3.97Å; D1210-M1233 HydrophobicContact CB-SD 3.66Å; D1210-M1233 VanDerWaalsContact OD2-CA 3.29Å; D1210-M1233 WeakPolarHBondContact OD2-CA 3.37Å; D1210-R1234 PolarHBondContact N-O 3.01Å; D1210-R1234 PolarHBondContact OD2-N 3.1Å |
| 1211 | I | 85.4 | Confident | 71.5 | Confident | 46 Ų | 46 | 92.1 Ų | 92.1 | 24% | 0.236 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -49.5 | 177 | -61.4 | 173.6 | 0 | 0 | 0 | 112.2 | W1192 C1209 I1235 H1239 C1246 | W1192-I1211 HydrophobicContact CH2-CD1 4.3Å; W1192-I1211 HydrophobicContact CZ3-CD1 4.38Å; C1209-I1211 PolarHBondContact O-N 3.45Å; C1209-I1211 PolarHBondContact SG-N 3.04Å; I1211-I1235 HydrophobicContact CD1-CB 4.14Å; I1211-I1235 HydrophobicContact CD1-CD1 4.34Å; I1211-I1235 HydrophobicContact CD1-CG2 3.64Å; I1211-I1235 HydrophobicContact CG1-CG2 3.82Å; I1211-H1239 HydrophobicContact CD1-CB 3.73Å; I1211-C1246 HydrophobicContact CD1-CB 3.86Å; I1211-C1246 HydrophobicContact CG1-CB 4.26Å |
| 1212 | C | 88.8 | Confident | 71.3 | Confident | 45 Ų | 45 | 90.8 Ų | 90.8 | 30% | 0.304 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -2.1 | -176.4 | 71.2 | 0 | 0 | 0 | 0 | 115.8 | K1214 H1236 H1239 | C1212-K1214 PolarHBondContact O-N 2.94Å; C1212-H1236 PolarHBondContact SG-ND1 3.38Å; C1212-H1236 VanDerWaalsContact SG-ND1 3.4Å; C1212-H1239 PolarHBondContact SG-NE2 2.98Å; C1212-H1239 VanDerWaalsContact SG-NE2 3.35Å |
| 1213 | H | 85.3 | Confident | 71.7 | Confident | 134 Ų | 134 | 84.4 Ų | 84.4 | 62% | 0.62 | 46% | 0.456 | S | S | * | . | trans | 55 | 15.1 | -179.3 | -52 | -33.8 | 0 | 0 | 0 | 115.8 | C1209 | C1209-H1213 WeakPolarHBondContact O-CA 3.32Å; C1209-H1213 PolarHBondContact O-N 3.14Å; C1209-H1213 PolarHBondContact O-ND1 2.87Å | ||
| 1214 | K | 83.6 | Confident | 72.9 | Confident | 149 Ų | 149 | 83.2 Ų | 83.2 | 65% | 0.648 | 45% | 0.449 | S | S | * | . | trans | -80.6 | 159.2 | 166.7 | -61.8 | -178.7 | -178.7 | -178.3 | 0 | 110.2 | C1209 C1212 | C1209-K1214 WeakPolarHBondContact CB-O 3.39Å; C1209-K1214 PolarHBondContact N-O 3.29Å; C1212-K1214 PolarHBondContact O-N 2.94Å | ||
| 1215 | N | 80.8 | Confident | 74.3 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 35% | 0.348 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -66.9 | 133 | -179.6 | -166.3 | -4.7 | 0 | 0 | 0 | 111.6 | I1207 S1217 H1236 | I1207-N1215 CarbonylContact O-C 3.52Å; I1207-N1215 WeakPolarHBondContact O-CA 3.45Å; I1207-N1215 PolarHBondContact O-OD1 3.31Å; N1215-S1217 PolarHBondContact ND2-O 3.43Å; N1215-S1217 PolarHBondContact OD1-N 2.97Å; N1215-S1217 PolarHBondContact OD1-O 2.91Å; N1215-S1217 PolarHBondContact OD1-OG 3.29Å; N1215-S1217 VanDerWaalsContact OD1-OG 3.09Å; N1215-H1236 PolarHBondContact O-NE2 2.97Å |
| 1216 | C | 74.3 | Confident | 75.7 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -84.8 | -12.7 | 173.7 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | I1207 A1225 | I1207-C1216 HydrophobicContact CB-CB 4.32Å; I1207-C1216 HydrophobicContact CG2-CB 3.9Å; I1207-C1216 WeakPolarHBondContact O-CB 3.46Å; I1207-C1216 PolarHBondContact O-N 3.02Å; C1216-A1225 HydrophobicContact CB-CB 3.84Å |
| 1217 | S | 66.8 | Low | 76.8 | Confident | 15 Ų | 15 | 71 Ų | 71 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | trans | -127.4 | 107.6 | -179.8 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | L1204 N1215 | L1204-S1217 VanDerWaalsContact O-CB 3.25Å; L1204-S1217 WeakPolarHBondContact O-CB 3.33Å; L1204-S1217 PolarHBondContact O-OG 3.38Å; N1215-S1217 PolarHBondContact ND2-O 3.43Å; N1215-S1217 PolarHBondContact OD1-N 2.97Å; N1215-S1217 PolarHBondContact OD1-O 2.91Å; N1215-S1217 PolarHBondContact OD1-OG 3.29Å; N1215-S1217 VanDerWaalsContact OD1-OG 3.09Å | ||
| 1218 | D | 62 | Low | 77.5 | Confident | 87 Ų | 87 | 70 Ų | 70 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | trans | -100.9 | 146.1 | 165.8 | -160.5 | -38.5 | 0 | 0 | 0 | 109.2 | L1220 P1222 | D1218-L1220 PolarHBondContact OD1-N 3.48Å; D1218-P1222 WeakPolarHBondContact O-CD 3.37Å | ||
| 1219 | L | 58.5 | Low | 77.5 | Confident | 165 Ų | 165 | 69.4 Ų | 69.4 | 86% | 0.864 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -78.4 | -22.8 | -173.6 | -125.5 | 156.9 | 0 | 0 | 0 | 112.4 | ||
| 1220 | L | 60.5 | Low | 77.1 | Confident | 152 Ų | 152 | 73.3 Ų | 73.3 | 80% | 0.796 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -108.7 | -35.4 | -179.1 | -70.4 | 169.8 | 0 | 0 | 0 | 114 | D1218 | D1218-L1220 PolarHBondContact OD1-N 3.48Š|
| 1221 | N | 62 | Low | 76.9 | Confident | 137 Ų | 137 | 72.4 Ų | 72.4 | 73% | 0.733 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -148.7 | 78.5 | 178.4 | -81.3 | -68.1 | 0 | 0 | 0 | 110.3 | ||
| 1222 | P | 59.8 | Low | 77 | Confident | 64 Ų | 64 | 75.6 Ų | 75.6 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 125.5 | -178 | 24.3 | -32.9 | 0 | 0 | 0 | 110.9 | D1218 | D1218-P1222 WeakPolarHBondContact O-CD 3.37Š|
| 1223 | P | 66.8 | Low | 76.9 | Confident | 47 Ų | 47 | 75.1 Ų | 75.1 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 149.9 | 173.1 | 29.1 | -34.8 | 0 | 0 | 0 | 109.7 | A1225 | P1223-A1225 PolarHBondContact O-N 2.93Š|
| 1224 | K | 80.5 | Confident | 77 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 116.5 | -179.9 | -72.6 | 179.9 | 179.2 | 176.7 | 0 | 109.7 | L1199 H1236 F1237 | L1199-K1224 HydrophobicContact CD1-CB 4.43Å; K1224-H1236 WeakPolarHBondContact O-CA 3.5Å; K1224-F1237 HydrophobicContact CB-CB 3.56Å; K1224-F1237 HydrophobicContact CB-CD1 4.3Å; K1224-F1237 HydrophobicContact CB-CG 4.09Å; K1224-F1237 HydrophobicContact CD-CD1 3.9Å; K1224-F1237 HydrophobicContact CD-CE1 4.27Å; K1224-F1237 HydrophobicContact CD-CG 4.33Å; K1224-F1237 VanDerWaalsContact O-CB 3.31Å; K1224-F1237 WeakPolarHBondContact O-CB 3.39Å; K1224-F1237 PolarHBondContact O-N 3.37Å |
| 1225 | A | 85.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 149.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1199 M1200 C1216 P1223 I1235 | L1199-A1225 WeakPolarHBondContact CD1-O 3.43Å; M1200-A1225 HydrophobicContact CB-CB 4.21Å; M1200-A1225 HydrophobicContact CG-CB 4.24Å; M1200-A1225 PolarHBondContact N-O 3.36Å; M1200-A1225 HydrophobicContact SD-CB 3.84Å; C1216-A1225 HydrophobicContact CB-CB 3.84Å; P1223-A1225 PolarHBondContact O-N 2.93Å; A1225-I1235 CarbonylContact C-O 3.6Å; A1225-I1235 WeakPolarHBondContact CA-O 3.43Å |
| 1226 | L | 88.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.9 | -174.3 | -68.5 | -177.6 | 0 | 0 | 0 | 109.8 | I1190 F1197 Q1198 L1199 R1234 I1235 F1237 V1240 | I1190-L1226 HydrophobicContact CD1-CD1 4.12Å; I1190-L1226 HydrophobicContact CD1-CD2 3.93Å; F1197-L1226 HydrophobicContact CB-CB 3.98Å; F1197-L1226 HydrophobicContact CB-CD1 4.13Å; F1197-L1226 HydrophobicContact CB-CD2 4.4Å; F1197-L1226 HydrophobicContact CB-CG 4.41Å; F1197-L1226 HydrophobicContact CD1-CB 3.7Å; F1197-L1226 HydrophobicContact CG-CB 4.04Å; F1197-L1226 HydrophobicContact CG-CD1 4.28Å; Q1198-L1226 CarbonylContact O-C 3.56Å; Q1198-L1226 WeakPolarHBondContact O-CA 3.28Å; L1199-L1226 HydrophobicContact CD1-CD2 4.18Å; L1226-R1234 CarbonylContact O-C 3.59Å; L1226-R1234 VanDerWaalsContact O-CA 3.25Å; L1226-R1234 WeakPolarHBondContact O-CA 3.09Å; L1226-I1235 HydrophobicContact CB-CG1 3.97Å; L1226-I1235 HydrophobicContact CD1-CG1 4.42Å; L1226-I1235 PolarHBondContact N-O 2.94Å; L1226-I1235 PolarHBondContact O-N 3.27Å; L1226-F1237 HydrophobicContact CD1-CD2 4.1Å; L1226-F1237 HydrophobicContact CD2-CD2 4.28Å; L1226-F1237 HydrophobicContact CG-CB 4.46Å; L1226-F1237 HydrophobicContact CG-CD2 4.33Å; L1226-V1240 HydrophobicContact CD1-CG2 3.61Å |
| 1227 | E | 89.2 | Confident | 78.5 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.1 | 175.6 | -178 | 173.8 | 162.6 | 0 | 0 | 111 | F1197 Q1198 M1200 L1229 H1232 M1233 R1234 | F1197-E1227 CarbonylContact C-O 3.55Å; F1197-E1227 WeakPolarHBondContact CA-O 3.49Å; Q1198-E1227 PolarHBondContact N-O 3.29Å; Q1198-E1227 PolarHBondContact O-N 2.94Å; M1200-E1227 WeakPolarHBondContact CE-OE2 3.47Å; M1200-E1227 HydrophobicContact CG-CB 3.77Å; M1200-E1227 HydrophobicContact SD-CB 4.13Å; E1227-L1229 PolarHBondContact O-N 3.22Å; E1227-H1232 IonicContact OE1-CE1 3.59Å; E1227-H1232 IonicContact OE1-CG 2.74Å; E1227-H1232 IonicContact OE1-ND1 3.92Å; E1227-H1232 PolarHBondContact OE1-ND1 3.49Å; E1227-M1233 CarbonylContact C-O 3.57Å; E1227-M1233 WeakPolarHBondContact CA-O 3.49Å; E1227-R1234 HydrophobicContact CB-CG 3.93Å; E1227-R1234 HydrophobicContact CG-CG 3.79Å |
| 1228 | C | 90.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.4 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | H1195 N1196 F1197 H1230 C1231 H1232 M1233 | H1195-C1228 HydrophobicContact CB-CB 4.06Å; H1195-C1228 VanDerWaalsContact CB-SG 3.53Å; H1195-C1228 PolarHBondContact ND1-SG 3.02Å; N1196-C1228 PolarHBondContact N-SG 3.21Å; F1197-C1228 HydrophobicContact CD1-CB 3.97Å; F1197-C1228 HydrophobicContact CE1-CB 3.78Å; F1197-C1228 HydrophobicContact CZ-CB 4.27Å; C1228-H1230 PolarHBondContact O-N 2.84Å; C1228-C1231 PolarHBondContact O-N 3.22Å; C1228-H1232 WeakPolarHBondContact O-CA 3.43Å; C1228-H1232 PolarHBondContact O-N 3.41Å; C1228-M1233 HydrophobicContact CB-CB 4.43Å; C1228-M1233 PolarHBondContact N-O 3.03Å |
| 1229 | L | 83.7 | Confident | 80.7 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -14.1 | 179 | -72.2 | 170.4 | 0 | 0 | 0 | 115.4 | T1189 N1196 Q1198 E1227 | T1189-L1229 HydrophobicContact CG2-CD1 3.62Å; N1196-L1229 WeakPolarHBondContact O-CB 3.32Å; N1196-L1229 PolarHBondContact O-N 3.45Å; Q1198-L1229 HydrophobicContact CB-CD1 4.33Å; Q1198-L1229 HydrophobicContact CB-CD2 4.24Å; Q1198-L1229 HydrophobicContact CB-CG 4.14Å; E1227-L1229 PolarHBondContact O-N 3.22Å |
| 1230 | H | 80 | Confident | 82 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 38% | 0.384 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -20.7 | -178.6 | -61.3 | 113.9 | 0 | 0 | 0 | 113.7 | N1196 C1228 M1251 A1252 | N1196-H1230 VanDerWaalsContact CB-CE1 3.46Å; N1196-H1230 WeakPolarHBondContact CB-CE1 3.3Å; N1196-H1230 WeakPolarHBondContact CB-ND1 3.45Å; C1228-H1230 PolarHBondContact O-N 2.84Å; H1230-M1251 HydrophobicContact CB-CB 3.86Å; H1230-M1251 WeakPolarHBondContact O-CB 3.29Å; H1230-M1251 WeakPolarHBondContact O-CG 3.49Å; H1230-A1252 HydrophobicContact CB-CB 4.26Å; H1230-A1252 WeakPolarHBondContact ND1-CB 3.26Å |
| 1231 | C | 83.7 | Confident | 83.1 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.1 | 3 | -173 | 70.1 | 0 | 0 | 0 | 0 | 115.5 | H1195 C1228 M1233 M1251 | H1195-C1231 PolarHBondContact CE1-SG 2.9Å; H1195-C1231 PolarHBondContact ND1-SG 2.95Å; C1228-C1231 PolarHBondContact O-N 3.22Å; C1231-M1233 PolarHBondContact O-N 3.2Å; C1231-M1233 VanDerWaalsContact O-N 3.08Å; C1231-M1251 HydrophobicContact CB-CB 4.39Å; C1231-M1251 HydrophobicContact CB-CG 4.25Å |
| 1232 | H | 86.1 | Confident | 84.2 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 52% | 0.523 | 27% | 0.268 | S | S | . | . | trans | 58.4 | 17.7 | 177.7 | -55.8 | -79.6 | 0 | 0 | 0 | 116 | E1227 C1228 R1234 | E1227-H1232 IonicContact OE1-CE1 3.59Å; E1227-H1232 IonicContact OE1-CG 2.74Å; E1227-H1232 IonicContact OE1-ND1 3.92Å; E1227-H1232 PolarHBondContact OE1-ND1 3.49Å; C1228-H1232 WeakPolarHBondContact O-CA 3.43Å; C1228-H1232 PolarHBondContact O-N 3.41Å; H1232-R1234 PolarHBondContact O-N 3.39Å; H1232-R1234 PolarHBondContact O-NE 3.34Å | ||
| 1233 | M | 87.1 | Confident | 85.1 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 18% | 0.177 | 28% | 0.28 | C | S | . | . | trans | -61.1 | 130.8 | 165.5 | 177.3 | 124.2 | 67.8 | 0 | 0 | 109.5 | H1195 F1197 D1210 E1227 C1228 C1231 I1235 | H1195-M1233 WeakPolarHBondContact CE1-CE 3.33Å; H1195-M1233 WeakPolarHBondContact NE2-CE 3.49Å; F1197-M1233 WeakPolarHBondContact CE1-O 3.24Å; D1210-M1233 HydrophobicContact CB-CG 3.97Å; D1210-M1233 HydrophobicContact CB-SD 3.66Å; D1210-M1233 VanDerWaalsContact OD2-CA 3.29Å; D1210-M1233 WeakPolarHBondContact OD2-CA 3.37Å; E1227-M1233 CarbonylContact C-O 3.57Å; E1227-M1233 WeakPolarHBondContact CA-O 3.49Å; C1228-M1233 HydrophobicContact CB-CB 4.43Å; C1228-M1233 PolarHBondContact N-O 3.03Å; C1231-M1233 PolarHBondContact O-N 3.2Å; C1231-M1233 VanDerWaalsContact O-N 3.08Å; M1233-I1235 HydrophobicContact CG-CG2 4.08Å | ||
| 1234 | R | 88.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 32% | 0.317 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.3 | -172.8 | -74.2 | 160.1 | -68.6 | 162.4 | 8.6 | 111.1 | M1200 C1209 D1210 L1226 E1227 H1232 | M1200-R1234 HydrophobicContact CE-CG 4.05Å; M1200-R1234 HydrophobicContact SD-CB 4.28Å; M1200-R1234 HydrophobicContact SD-CG 3.84Å; C1209-R1234 CarbonylContact C-O 3.57Å; C1209-R1234 WeakPolarHBondContact CA-O 3.4Å; D1210-R1234 PolarHBondContact N-O 3.01Å; D1210-R1234 PolarHBondContact OD2-N 3.1Å; L1226-R1234 CarbonylContact O-C 3.59Å; L1226-R1234 VanDerWaalsContact O-CA 3.25Å; L1226-R1234 WeakPolarHBondContact O-CA 3.09Å; E1227-R1234 HydrophobicContact CB-CG 3.93Å; E1227-R1234 HydrophobicContact CG-CG 3.79Å; H1232-R1234 PolarHBondContact O-N 3.39Å; H1232-R1234 PolarHBondContact O-NE 3.34Å |
| 1235 | I | 89.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150 | -173.9 | 68.4 | 175.6 | 0 | 0 | 0 | 112.4 | W1192 F1197 I1211 A1225 L1226 M1233 V1240 | W1192-I1235 HydrophobicContact CE3-CD1 4.03Å; W1192-I1235 HydrophobicContact CZ3-CD1 3.62Å; F1197-I1235 HydrophobicContact CD1-CD1 4.38Å; F1197-I1235 HydrophobicContact CD1-CG1 4.25Å; F1197-I1235 HydrophobicContact CD2-CD1 4.4Å; F1197-I1235 HydrophobicContact CE1-CD1 3.75Å; F1197-I1235 HydrophobicContact CE1-CG1 3.72Å; F1197-I1235 HydrophobicContact CE2-CD1 3.75Å; F1197-I1235 HydrophobicContact CZ-CD1 3.4Å; F1197-I1235 HydrophobicContact CZ-CG1 3.92Å; I1211-I1235 HydrophobicContact CD1-CB 4.14Å; I1211-I1235 HydrophobicContact CD1-CD1 4.34Å; I1211-I1235 HydrophobicContact CD1-CG2 3.64Å; I1211-I1235 HydrophobicContact CG1-CG2 3.82Å; A1225-I1235 CarbonylContact C-O 3.6Å; A1225-I1235 WeakPolarHBondContact CA-O 3.43Å; L1226-I1235 HydrophobicContact CB-CG1 3.97Å; L1226-I1235 HydrophobicContact CD1-CG1 4.42Å; L1226-I1235 PolarHBondContact N-O 2.94Å; L1226-I1235 PolarHBondContact O-N 3.27Å; M1233-I1235 HydrophobicContact CG-CG2 4.08Å; I1235-V1240 HydrophobicContact CD1-CG2 3.64Å |
| 1236 | H | 90.7 | Very high | 85.1 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 7% | 0.069 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 142.4 | 164.8 | -59.4 | 103.5 | 0 | 0 | 0 | 111.1 | C1209 C1212 N1215 K1224 E1238 H1239 | C1209-H1236 VanDerWaalsContact CB-CE1 3.48Å; C1209-H1236 WeakPolarHBondContact CB-CE1 3.4Å; C1209-H1236 WeakPolarHBondContact CB-ND1 3.46Å; C1212-H1236 PolarHBondContact SG-ND1 3.38Å; C1212-H1236 VanDerWaalsContact SG-ND1 3.4Å; N1215-H1236 PolarHBondContact O-NE2 2.97Å; K1224-H1236 WeakPolarHBondContact O-CA 3.5Å; H1236-E1238 PolarHBondContact O-N 3.24Å; H1236-H1239 AromaticContact ND1-NE2 3.87Å; H1236-H1239 WeakPolarHBondContact O-CB 3.44Å; H1236-H1239 PolarHBondContact O-N 2.85Å |
| 1237 | F | 88.5 | Confident | 84.4 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.6 | -33.8 | 176.5 | -178.2 | -111.2 | 0 | 0 | 0 | 112 | I1190 K1224 L1226 H1239 V1240 N1241 | I1190-F1237 HydrophobicContact CD1-CD2 4.11Å; I1190-F1237 HydrophobicContact CD1-CE2 3.75Å; K1224-F1237 HydrophobicContact CB-CB 3.56Å; K1224-F1237 HydrophobicContact CB-CD1 4.3Å; K1224-F1237 HydrophobicContact CB-CG 4.09Å; K1224-F1237 HydrophobicContact CD-CD1 3.9Å; K1224-F1237 HydrophobicContact CD-CE1 4.27Å; K1224-F1237 HydrophobicContact CD-CG 4.33Å; K1224-F1237 VanDerWaalsContact O-CB 3.31Å; K1224-F1237 WeakPolarHBondContact O-CB 3.39Å; K1224-F1237 PolarHBondContact O-N 3.37Å; L1226-F1237 HydrophobicContact CD1-CD2 4.1Å; L1226-F1237 HydrophobicContact CD2-CD2 4.28Å; L1226-F1237 HydrophobicContact CG-CB 4.46Å; L1226-F1237 HydrophobicContact CG-CD2 4.33Å; F1237-H1239 VanDerWaalsContact C-N 3.25Å; F1237-H1239 PolarHBondContact O-N 3.36Å; F1237-V1240 PolarHBondContact O-N 2.88Å; F1237-V1240 VanDerWaalsContact O-N 3.14Å; F1237-N1241 WeakPolarHBondContact CD1-ND2 3.46Å; F1237-N1241 WeakPolarHBondContact CE1-ND2 3.25Å; F1237-N1241 PolarHBondContact O-N 2.89Å; F1237-N1241 VanDerWaalsContact O-N 3.13Å |
| 1238 | E | 86.4 | Confident | 83.9 | Confident | 82 Ų | 82 | 69 Ų | 69 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -53.6 | -34.1 | 172.6 | -82 | 53.7 | -126.7 | 0 | 0 | 114 | H1236 V1240 N1241 K1242 | H1236-E1238 PolarHBondContact O-N 3.24Å; E1238-V1240 VanDerWaalsContact C-N 3.34Å; E1238-V1240 PolarHBondContact O-N 3.48Å; E1238-N1241 PolarHBondContact O-N 3.2Å; E1238-K1242 WeakPolarHBondContact O-CB 3.48Å; E1238-K1242 VanDerWaalsContact O-CG 3.24Å; E1238-K1242 WeakPolarHBondContact O-CG 3.46Å; E1238-K1242 PolarHBondContact O-N 3.2Å |
| 1239 | H | 89.7 | Confident | 83.1 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 178.9 | -67.3 | -61.6 | 0 | 0 | 0 | 112.1 | C1209 I1211 C1212 H1236 F1237 H1243 E1244 | C1209-H1239 PolarHBondContact SG-NE2 2.93Å; I1211-H1239 HydrophobicContact CD1-CB 3.73Å; C1212-H1239 PolarHBondContact SG-NE2 2.98Å; C1212-H1239 VanDerWaalsContact SG-NE2 3.35Å; H1236-H1239 AromaticContact ND1-NE2 3.87Å; H1236-H1239 WeakPolarHBondContact O-CB 3.44Å; H1236-H1239 PolarHBondContact O-N 2.85Å; F1237-H1239 VanDerWaalsContact C-N 3.25Å; F1237-H1239 PolarHBondContact O-N 3.36Å; H1239-H1243 PolarHBondContact O-N 2.88Å; H1239-E1244 IonicContact CE1-OE2 3.71Å; H1239-E1244 PolarHBondContact CE1-OE2 3.02Å; H1239-E1244 IonicContact CG-OE2 3.33Å; H1239-E1244 IonicContact ND1-OE2 3.3Å; H1239-E1244 PolarHBondContact ND1-OE2 2.94Å; H1239-E1244 PolarHBondContact O-N 2.98Å |
| 1240 | V | 84.8 | Confident | 82.1 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.4 | -45.6 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | I1190 W1192 L1226 I1235 F1237 E1238 K1242 H1243 | I1190-V1240 HydrophobicContact CG2-CG1 4.08Å; W1192-V1240 HydrophobicContact CB-CG1 4.17Å; W1192-V1240 HydrophobicContact CD2-CB 4.48Å; W1192-V1240 HydrophobicContact CD2-CG1 4.16Å; W1192-V1240 HydrophobicContact CD2-CG2 4.11Å; W1192-V1240 HydrophobicContact CE3-CG2 3.8Å; W1192-V1240 HydrophobicContact CG-CG1 3.92Å; W1192-V1240 HydrophobicContact CZ3-CG2 4.18Å; L1226-V1240 HydrophobicContact CD1-CG2 3.61Å; I1235-V1240 HydrophobicContact CD1-CG2 3.64Å; F1237-V1240 PolarHBondContact O-N 2.88Å; F1237-V1240 VanDerWaalsContact O-N 3.14Å; E1238-V1240 VanDerWaalsContact C-N 3.34Å; E1238-V1240 PolarHBondContact O-N 3.48Å; V1240-K1242 PolarHBondContact O-N 2.68Å; V1240-H1243 PolarHBondContact O-N 3.33Å; V1240-H1243 VanDerWaalsContact O-N 3.14Å; V1240-H1243 PolarHBondContact O-ND1 3.49Å |
| 1241 | N | 83 | Confident | 81.1 | Confident | 90 Ų | 90 | 74.3 Ų | 74.3 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -28.5 | 178.9 | -69.7 | -23.1 | 0 | 0 | 0 | 113.5 | F1237 E1238 | F1237-N1241 WeakPolarHBondContact CD1-ND2 3.46Å; F1237-N1241 WeakPolarHBondContact CE1-ND2 3.25Å; F1237-N1241 PolarHBondContact O-N 2.89Å; F1237-N1241 VanDerWaalsContact O-N 3.13Å; E1238-N1241 PolarHBondContact O-N 3.2Å |
| 1242 | K | 85.3 | Confident | 79.6 | Confident | 132 Ų | 132 | 72.8 Ų | 72.8 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -3.4 | 178 | -67.4 | 174.8 | 179.7 | 179.1 | 0 | 114.1 | E1238 V1240 E1244 | E1238-K1242 WeakPolarHBondContact O-CB 3.48Å; E1238-K1242 VanDerWaalsContact O-CG 3.24Å; E1238-K1242 WeakPolarHBondContact O-CG 3.46Å; E1238-K1242 PolarHBondContact O-N 3.2Å; V1240-K1242 PolarHBondContact O-N 2.68Å; K1242-E1244 HydrophobicContact CB-CG 3.89Å; K1242-E1244 HydrophobicContact CD-CG 4.46Å; K1242-E1244 WeakPolarHBondContact CD-OE1 3.36Å; K1242-E1244 IonicContact NZ-OE1 2.69Å; K1242-E1244 PolarHBondContact NZ-OE1 2.79Å; K1242-E1244 PolarHBondContact O-N 3.25Å |
| 1243 | H | 80.1 | Confident | 77.5 | Confident | 145 Ų | 145 | 72.1 Ų | 72.1 | 67% | 0.671 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32.8 | -175.6 | -53.5 | -52.8 | 0 | 0 | 0 | 114.6 | H1239 V1240 K1245 | H1239-H1243 PolarHBondContact O-N 2.88Å; V1240-H1243 PolarHBondContact O-N 3.33Å; V1240-H1243 VanDerWaalsContact O-N 3.14Å; V1240-H1243 PolarHBondContact O-ND1 3.49Å; H1243-K1245 PolarHBondContact O-N 3.1Å |
| 1244 | E | 82.1 | Confident | 75.2 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | trans | -69 | 126.2 | 178.7 | -67.8 | 175.7 | -166.9 | 0 | 0 | 110.4 | W1192 H1239 K1242 C1246 | W1192-E1244 WeakPolarHBondContact CH2-O 3.49Å; W1192-E1244 WeakPolarHBondContact CZ2-O 3.5Å; H1239-E1244 IonicContact CE1-OE2 3.71Å; H1239-E1244 PolarHBondContact CE1-OE2 3.02Å; H1239-E1244 IonicContact CG-OE2 3.33Å; H1239-E1244 IonicContact ND1-OE2 3.3Å; H1239-E1244 PolarHBondContact ND1-OE2 2.94Å; H1239-E1244 PolarHBondContact O-N 2.98Å; K1242-E1244 HydrophobicContact CB-CG 3.89Å; K1242-E1244 HydrophobicContact CD-CG 4.46Å; K1242-E1244 WeakPolarHBondContact CD-OE1 3.36Å; K1242-E1244 IonicContact NZ-OE1 2.69Å; K1242-E1244 PolarHBondContact NZ-OE1 2.79Å; K1242-E1244 PolarHBondContact O-N 3.25Å; E1244-C1246 PolarHBondContact O-N 3.48Å | ||
| 1245 | K | 74.3 | Confident | 72.6 | Confident | 198 Ų | 198 | 78 Ų | 78 | 86% | 0.861 | 40% | 0.396 | S | S | * | . | trans | -63.7 | 129.8 | -170.4 | -68.4 | -178.8 | 179.5 | 177.4 | 0 | 113.2 | H1243 | H1243-K1245 PolarHBondContact O-N 3.1Š| ||
| 1246 | C | 76 | Confident | 69.8 | Low | 18 Ų | 18 | 87.3 Ų | 87.3 | 12% | 0.122 | 43% | 0.431 | C | S | . | . | trans | -118.9 | 169.4 | 167.5 | 81.1 | 0 | 0 | 0 | 0 | 112.2 | W1192 M1193 I1211 E1244 | W1192-C1246 HydrophobicContact CH2-CB 4.09Å; W1192-C1246 HydrophobicContact CZ3-CB 4.14Å; W1192-C1246 WeakPolarHBondContact CZ3-SG 3.32Å; M1193-C1246 VanDerWaalsContact CE-O 3.26Å; M1193-C1246 WeakPolarHBondContact CE-O 3.47Å; I1211-C1246 HydrophobicContact CD1-CB 3.86Å; I1211-C1246 HydrophobicContact CG1-CB 4.26Å; E1244-C1246 PolarHBondContact O-N 3.48Å | ||
| 1247 | I | 74.1 | Confident | 66.9 | Low | 116 Ų | 116 | 96.9 Ų | 96.9 | 60% | 0.595 | 47% | 0.468 | S | S | * | . | trans | -65.4 | 131.3 | 171.5 | -58.5 | 174.4 | 0 | 0 | 0 | 109.1 | H1195 | H1195-I1247 PolarHBondContact NE2-O 3.04Š| ||
| 1248 | P | 77.4 | Confident | 64.1 | Low | 62 Ų | 62 | 100.8 Ų | 100.8 | 40% | 0.403 | 49% | 0.49 | S | S | . | . | trans | -66.1 | 154.1 | 179 | -22.9 | 34.3 | 0 | 0 | 0 | 114.4 | M1193 H1250 | M1193-P1248 HydrophobicContact CE-CG 4.46Å; M1193-P1248 CarbonylContact O-C 3.46Å; M1193-P1248 WeakPolarHBondContact O-CA 3.45Å; P1248-H1250 PolarHBondContact O-N 2.93Å; P1248-H1250 VanDerWaalsContact O-N 3.09Å | ||
| 1249 | C | 74.1 | Confident | 61.5 | Low | 3 Ų | 3 | 108.1 Ų | 108.1 | 2% | 0.02 | 51% | 0.514 | C | S | . | . | trans | -73.4 | 102.2 | 179.1 | -164.7 | 0 | 0 | 0 | 0 | 113.4 | M1193 N1194 H1195 M1251 A1252 | M1193-C1249 PolarHBondContact O-N 2.95Å; N1194-C1249 HydrophobicContact CB-CB 3.97Å; H1195-C1249 HydrophobicContact CB-CB 4.17Å; H1195-C1249 VanDerWaalsContact ND1-CB 3.35Å; H1195-C1249 WeakPolarHBondContact ND1-CB 3.35Å; H1195-C1249 PolarHBondContact NE2-N 2.81Å; C1249-M1251 VanDerWaalsContact C-N 3.26Å; C1249-M1251 PolarHBondContact O-N 3.49Å; C1249-A1252 HydrophobicContact CB-CB 3.74Å; C1249-A1252 PolarHBondContact O-N 2.92Å | ||
| 1250 | H | 62.1 | Low | 58.9 | Low | 139 Ų | 139 | 111.8 Ų | 111.8 | 64% | 0.644 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -59.9 | -34.2 | 172.5 | -60.4 | -72.1 | 0 | 0 | 0 | 113.1 | P1248 A1252 T1253 | P1248-H1250 PolarHBondContact O-N 2.93Å; P1248-H1250 VanDerWaalsContact O-N 3.09Å; H1250-A1252 VanDerWaalsContact C-N 3.34Å; H1250-A1252 PolarHBondContact O-N 3.25Å; H1250-T1253 PolarHBondContact O-OG1 3.48Å |
| 1251 | M | 58.6 | Low | 56.6 | Low | 133 Ų | 133 | 117.2 Ų | 117.2 | 66% | 0.655 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -79.7 | -7.9 | -178.4 | -64.6 | -70 | 96.8 | 0 | 0 | 114.7 | H1230 C1231 C1249 | H1230-M1251 HydrophobicContact CB-CB 3.86Å; H1230-M1251 WeakPolarHBondContact O-CB 3.29Å; H1230-M1251 WeakPolarHBondContact O-CG 3.49Å; C1231-M1251 HydrophobicContact CB-CB 4.39Å; C1231-M1251 HydrophobicContact CB-CG 4.25Å; C1249-M1251 VanDerWaalsContact C-N 3.26Å; C1249-M1251 PolarHBondContact O-N 3.49Å |
| 1252 | A | 53.4 | Low | 54.6 | Low | 19 Ų | 19 | 116.5 Ų | 116.5 | 16% | 0.157 | 57% | 0.568 | C | S | . | * | G | 310 helix | trans | -98.4 | 6.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1194 H1230 C1249 H1250 N1254 | N1194-A1252 HydrophobicContact CB-CB 4.43Å; N1194-A1252 WeakPolarHBondContact O-CB 3.48Å; H1230-A1252 HydrophobicContact CB-CB 4.26Å; H1230-A1252 WeakPolarHBondContact ND1-CB 3.26Å; C1249-A1252 HydrophobicContact CB-CB 3.74Å; C1249-A1252 PolarHBondContact O-N 2.92Å; H1250-A1252 VanDerWaalsContact C-N 3.34Å; H1250-A1252 PolarHBondContact O-N 3.25Å; A1252-N1254 PolarHBondContact O-N 2.82Å |
| 1253 | T | 42.2 | Very low | 52.7 | Low | 98 Ų | 98 | 116.6 Ų | 116.6 | 60% | 0.601 | 57% | 0.573 | S | S | * | * | trans | -68.8 | 95.4 | -179.2 | -40.7 | 0 | 0 | 0 | 0 | 109.4 | H1250 V1255 | H1250-T1253 PolarHBondContact O-OG1 3.48Å; T1253-V1255 PolarHBondContact O-N 3.42Å | ||
| 1254 | N | 38.5 | Very low | 51.1 | Low | 115 Ų | 115 | 112.8 Ų | 112.8 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | trans | -57.6 | 116.2 | -165.2 | -152.4 | -60 | 0 | 0 | 0 | 112.2 | A1252 R1256 | A1252-N1254 PolarHBondContact O-N 2.82Å; N1254-R1256 PolarHBondContact O-N 3.46Å; N1254-R1256 VanDerWaalsContact OD1-CD 3.26Å; N1254-R1256 WeakPolarHBondContact OD1-CD 3.32Å; N1254-R1256 VanDerWaalsContact OD1-CG 3.32Å; N1254-R1256 WeakPolarHBondContact OD1-CG 3.44Å; N1254-R1256 PolarHBondContact OD1-NE 3.06Å | ||
| 1255 | V | 33.8 | Very low | 49.4 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 78% | 0.776 | 57% | 0.568 | S | S | * | * | trans | -75.3 | 67.9 | -171.8 | -169 | 0 | 0 | 0 | 0 | 111.5 | T1253 | T1253-V1255 PolarHBondContact O-N 3.42Š| ||
| 1256 | R | 31.3 | Very low | 48.2 | Very low | 196 Ų | 196 | 109.3 Ų | 109.3 | 74% | 0.74 | 55% | 0.553 | S | S | * | * | trans | -112.6 | -2.5 | -174.7 | -83 | 179.5 | 175.9 | -165 | -3.3 | 115.2 | N1254 | N1254-R1256 PolarHBondContact O-N 3.46Å; N1254-R1256 VanDerWaalsContact OD1-CD 3.26Å; N1254-R1256 WeakPolarHBondContact OD1-CD 3.32Å; N1254-R1256 VanDerWaalsContact OD1-CG 3.32Å; N1254-R1256 WeakPolarHBondContact OD1-CG 3.44Å; N1254-R1256 PolarHBondContact OD1-NE 3.06Å | ||
| 1257 | Y | 30.1 | Very low | 46.8 | Very low | 216 Ų | 216 | 114 Ų | 114 | 85% | 0.847 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -107.6 | -1.3 | -172.9 | -89.6 | -79.9 | 0 | 0 | 0 | 116.7 | ||
| 1258 | L | 29.7 | Very low | 45.8 | Very low | 132 Ų | 132 | 112.8 Ų | 112.8 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | trans | -99.6 | -3.1 | 177 | -78.2 | 169.5 | 0 | 0 | 0 | 115.2 | M1260 | L1258-M1260 PolarHBondContact O-N 3.04Š| ||
| 1259 | R | 29.9 | Very low | 44.4 | Very low | 235 Ų | 235 | 117 Ų | 117 | 89% | 0.887 | 57% | 0.573 | S | S | * | * | trans | -77.7 | 66 | 170.4 | -78.8 | -170.5 | 170.7 | -172.4 | -2.6 | 112.2 | S1261 | R1259-S1261 PolarHBondContact O-N 2.97Š| ||
| 1260 | M | 36.7 | Very low | 43.3 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 44% | 0.438 | 60% | 0.596 | S | S | . | * | trans | -93.9 | 90.5 | 168.9 | -64.2 | -163.4 | 77.4 | 0 | 0 | 110.2 | L1258 N1262 I1265 | L1258-M1260 PolarHBondContact O-N 3.04Å; M1260-N1262 PolarHBondContact O-N 3.32Å; M1260-I1265 HydrophobicContact CE-CB 4.24Å; M1260-I1265 HydrophobicContact CE-CG2 3.47Å; M1260-I1265 VanDerWaalsContact CE-CG2 3.47Å | ||
| 1261 | S | 36.2 | Very low | 42.8 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 90% | 0.895 | 59% | 0.591 | S | S | * | * | trans | -79.6 | 32.9 | -177.5 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | R1259 | R1259-S1261 PolarHBondContact O-N 2.97Š| ||
| 1262 | N | 41.1 | Very low | 42.3 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | trans | -137.3 | 111.3 | -179.4 | -173.6 | -28.3 | 0 | 0 | 0 | 110.2 | M1260 A1264 I1265 K1266 | M1260-N1262 PolarHBondContact O-N 3.32Å; N1262-A1264 VanDerWaalsContact C-N 3.31Å; N1262-A1264 PolarHBondContact O-N 3.33Å; N1262-A1264 WeakPolarHBondContact OD1-CB 3.33Å; N1262-A1264 PolarHBondContact OD1-N 2.86Å; N1262-I1265 HydrophobicContact CB-CB 4.43Å; N1262-I1265 HydrophobicContact CB-CD1 4.08Å; N1262-I1265 HydrophobicContact CB-CG1 4.15Å; N1262-I1265 PolarHBondContact O-N 3.3Å; N1262-I1265 PolarHBondContact OD1-N 3.08Å; N1262-K1266 PolarHBondContact O-N 3.15Å; N1262-K1266 VanDerWaalsContact O-N 3.13Å | ||
| 1263 | I | 45.6 | Very low | 42 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 69% | 0.687 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.5 | -36.1 | -178.7 | -69.3 | 172.2 | 0 | 0 | 0 | 111.6 | I1265 K1266 K1267 | I1263-I1265 PolarHBondContact O-N 2.84Å; I1263-K1266 PolarHBondContact O-N 3.25Å; I1263-K1267 PolarHBondContact O-N 3.04Å |
| 1264 | A | 45.1 | Very low | 42.5 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 54% | 0.537 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.8 | -40.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1262 K1267 L1268 | N1262-A1264 VanDerWaalsContact C-N 3.31Å; N1262-A1264 PolarHBondContact O-N 3.33Å; N1262-A1264 WeakPolarHBondContact OD1-CB 3.33Å; N1262-A1264 PolarHBondContact OD1-N 2.86Å; A1264-K1267 PolarHBondContact O-N 3.15Å; A1264-L1268 WeakPolarHBondContact O-CB 3.45Å; A1264-L1268 PolarHBondContact O-N 2.98Å |
| 1265 | I | 47.4 | Very low | 42.9 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 35% | 0.354 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.9 | -33.5 | 177.8 | -52.7 | 176 | 0 | 0 | 0 | 111.1 | M1260 N1262 I1263 L1268 W1269 | M1260-I1265 HydrophobicContact CE-CB 4.24Å; M1260-I1265 HydrophobicContact CE-CG2 3.47Å; M1260-I1265 VanDerWaalsContact CE-CG2 3.47Å; N1262-I1265 HydrophobicContact CB-CB 4.43Å; N1262-I1265 HydrophobicContact CB-CD1 4.08Å; N1262-I1265 HydrophobicContact CB-CG1 4.15Å; N1262-I1265 PolarHBondContact O-N 3.3Å; N1262-I1265 PolarHBondContact OD1-N 3.08Å; I1263-I1265 PolarHBondContact O-N 2.84Å; I1265-L1268 PolarHBondContact O-N 3.48Å; I1265-W1269 PolarHBondContact O-N 3.32Å |
| 1266 | K | 49.1 | Very low | 43.5 | Very low | 124 Ų | 124 | 127 Ų | 127 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.1 | -45.7 | 169.2 | -93.9 | -170.8 | 173.8 | -175.4 | 0 | 111.9 | N1262 I1263 W1269 I1270 | N1262-K1266 PolarHBondContact O-N 3.15Å; N1262-K1266 VanDerWaalsContact O-N 3.13Å; I1263-K1266 PolarHBondContact O-N 3.25Å; K1266-W1269 PolarHBondContact O-N 3.34Å; K1266-I1270 VanDerWaalsContact O-CG1 3.3Å; K1266-I1270 WeakPolarHBondContact O-CG1 3.47Å; K1266-I1270 PolarHBondContact O-N 2.7Å |
| 1267 | K | 47 | Very low | 44.5 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.4 | -49.3 | 173.7 | -80.7 | -165.7 | 172.5 | -171 | 0 | 111.3 | I1263 A1264 W1269 I1270 E1271 | I1263-K1267 PolarHBondContact O-N 3.04Å; A1264-K1267 PolarHBondContact O-N 3.15Å; K1267-W1269 VanDerWaalsContact C-N 3.29Å; K1267-W1269 PolarHBondContact O-N 2.83Å; K1267-I1270 CarbonylContact O-C 3.59Å; K1267-I1270 PolarHBondContact O-N 2.99Å; K1267-E1271 WeakPolarHBondContact O-CB 3.49Å; K1267-E1271 WeakPolarHBondContact O-CG 3.26Å; K1267-E1271 PolarHBondContact O-N 3.17Å |
| 1268 | L | 51.6 | Low | 45.5 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.2 | -37.8 | -179.4 | -158 | 77.8 | 0 | 0 | 0 | 112.7 | A1264 I1265 Q1272 | A1264-L1268 WeakPolarHBondContact O-CB 3.45Å; A1264-L1268 PolarHBondContact O-N 2.98Å; I1265-L1268 PolarHBondContact O-N 3.48Å; L1268-Q1272 WeakPolarHBondContact O-CB 3.48Å; L1268-Q1272 WeakPolarHBondContact O-CG 3.39Å; L1268-Q1272 PolarHBondContact O-N 3.01Å |
| 1269 | W | 48.5 | Very low | 46.3 | Very low | 149 Ų | 149 | 119.8 Ų | 119.8 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.7 | -37.9 | 173.5 | -96.5 | 78.9 | 0 | 0 | 0 | 113.2 | I1265 K1266 K1267 F1273 | I1265-W1269 PolarHBondContact O-N 3.32Å; K1266-W1269 PolarHBondContact O-N 3.34Å; K1267-W1269 VanDerWaalsContact C-N 3.29Å; K1267-W1269 PolarHBondContact O-N 2.83Å; W1269-F1273 HydrophobicContact CE3-CD2 4.28Å; W1269-F1273 HydrophobicContact CE3-CE2 4.45Å; W1269-F1273 HydrophobicContact CZ3-CD2 4.5Å; W1269-F1273 HydrophobicContact CZ3-CE2 4.25Å; W1269-F1273 WeakPolarHBondContact O-CB 3.46Å; W1269-F1273 PolarHBondContact O-N 3.11Å |
| 1270 | I | 51.7 | Low | 47 | Very low | 96 Ų | 96 | 113.5 Ų | 113.5 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 175.5 | -68.7 | 164.9 | 0 | 0 | 0 | 110.4 | K1266 K1267 F1273 M1274 | K1266-I1270 VanDerWaalsContact O-CG1 3.3Å; K1266-I1270 WeakPolarHBondContact O-CG1 3.47Å; K1266-I1270 PolarHBondContact O-N 2.7Å; K1267-I1270 CarbonylContact O-C 3.59Å; K1267-I1270 PolarHBondContact O-N 2.99Å; I1270-F1273 PolarHBondContact O-N 3.4Å; I1270-M1274 HydrophobicContact CG2-CE 4.13Å; I1270-M1274 HydrophobicContact CG2-SD 4.48Å; I1270-M1274 WeakPolarHBondContact O-CB 3.44Å; I1270-M1274 WeakPolarHBondContact O-CG 3.33Å; I1270-M1274 PolarHBondContact O-N 2.91Å |
| 1271 | E | 52 | Low | 47.5 | Very low | 114 Ų | 114 | 115 Ų | 115 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 174.5 | -73.8 | 167.6 | 177.7 | 0 | 0 | 111.1 | K1267 F1273 M1274 Y1275 | K1267-E1271 WeakPolarHBondContact O-CB 3.49Å; K1267-E1271 WeakPolarHBondContact O-CG 3.26Å; K1267-E1271 PolarHBondContact O-N 3.17Å; E1271-F1273 PolarHBondContact O-N 2.93Å; E1271-M1274 PolarHBondContact O-N 2.89Å; E1271-Y1275 VanDerWaalsContact O-CB 3.24Å; E1271-Y1275 WeakPolarHBondContact O-CB 3.5Å; E1271-Y1275 PolarHBondContact O-N 3.35Å |
| 1272 | Q | 48.4 | Very low | 48 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 174.1 | -76.1 | -173.7 | 3.2 | 0 | 0 | 112.9 | L1268 L1276 | L1268-Q1272 WeakPolarHBondContact O-CB 3.48Å; L1268-Q1272 WeakPolarHBondContact O-CG 3.39Å; L1268-Q1272 PolarHBondContact O-N 3.01Å; Q1272-L1276 VanDerWaalsContact O-CB 3.23Å; Q1272-L1276 WeakPolarHBondContact O-CB 3.35Å; Q1272-L1276 PolarHBondContact O-N 2.92Å |
| 1273 | F | 46.5 | Very low | 48 | Very low | 133 Ų | 133 | 113 Ų | 113 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.2 | -37 | 175.6 | -118.4 | -86.5 | 0 | 0 | 0 | 112.8 | W1269 I1270 E1271 R1277 | W1269-F1273 HydrophobicContact CE3-CD2 4.28Å; W1269-F1273 HydrophobicContact CE3-CE2 4.45Å; W1269-F1273 HydrophobicContact CZ3-CD2 4.5Å; W1269-F1273 HydrophobicContact CZ3-CE2 4.25Å; W1269-F1273 WeakPolarHBondContact O-CB 3.46Å; W1269-F1273 PolarHBondContact O-N 3.11Å; I1270-F1273 PolarHBondContact O-N 3.4Å; E1271-F1273 PolarHBondContact O-N 2.93Å; F1273-R1277 VanDerWaalsContact O-CB 3.26Å; F1273-R1277 WeakPolarHBondContact O-CB 3.2Å; F1273-R1277 PolarHBondContact O-N 3.21Å |
| 1274 | M | 51.9 | Low | 47.8 | Very low | 126 Ų | 126 | 111.4 Ų | 111.4 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.3 | -42 | 173.6 | -72.8 | -166.7 | 177.8 | 0 | 0 | 111.4 | I1270 E1271 R1277 Q1278 | I1270-M1274 HydrophobicContact CG2-CE 4.13Å; I1270-M1274 HydrophobicContact CG2-SD 4.48Å; I1270-M1274 WeakPolarHBondContact O-CB 3.44Å; I1270-M1274 WeakPolarHBondContact O-CG 3.33Å; I1270-M1274 PolarHBondContact O-N 2.91Å; E1271-M1274 PolarHBondContact O-N 2.89Å; M1274-R1277 PolarHBondContact O-N 2.82Å; M1274-Q1278 WeakPolarHBondContact O-CB 3.28Å; M1274-Q1278 PolarHBondContact O-N 2.98Å |
| 1275 | Y | 47.3 | Very low | 47.7 | Very low | 170 Ų | 170 | 114.3 Ų | 114.3 | 67% | 0.667 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 174.4 | -169 | -94.6 | 0 | 0 | 0 | 111.3 | E1271 R1277 Q1278 Y1279 | E1271-Y1275 VanDerWaalsContact O-CB 3.24Å; E1271-Y1275 WeakPolarHBondContact O-CB 3.5Å; E1271-Y1275 PolarHBondContact O-N 3.35Å; Y1275-R1277 PolarHBondContact O-N 3.33Å; Y1275-Q1278 PolarHBondContact O-N 3.36Å; Y1275-Y1279 WeakPolarHBondContact O-CB 3.39Å; Y1275-Y1279 PolarHBondContact O-N 3.15Å |
| 1276 | L | 46.6 | Very low | 47.4 | Very low | 89 Ų | 89 | 115 Ų | 115 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 175.2 | -168.2 | 71.2 | 0 | 0 | 0 | 111.8 | Q1272 Q1278 Y1279 L1280 | Q1272-L1276 VanDerWaalsContact O-CB 3.23Å; Q1272-L1276 WeakPolarHBondContact O-CB 3.35Å; Q1272-L1276 PolarHBondContact O-N 2.92Å; L1276-Q1278 VanDerWaalsContact C-N 3.33Å; L1276-Q1278 PolarHBondContact O-N 3.47Å; L1276-Y1279 PolarHBondContact O-N 3.36Å; L1276-L1280 HydrophobicContact CG-CD1 4.12Å; L1276-L1280 VanDerWaalsContact O-CB 3.31Å; L1276-L1280 WeakPolarHBondContact O-CB 3.19Å; L1276-L1280 WeakPolarHBondContact O-CG 3.48Å; L1276-L1280 PolarHBondContact O-N 3.08Å |
| 1277 | R | 51.4 | Low | 46.9 | Very low | 187 Ų | 187 | 112.5 Ų | 112.5 | 71% | 0.706 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -35.4 | 175.5 | -171.6 | -176.8 | -172.6 | -156.8 | 4.8 | 112.4 | F1273 M1274 Y1275 K1281 | F1273-R1277 VanDerWaalsContact O-CB 3.26Å; F1273-R1277 WeakPolarHBondContact O-CB 3.2Å; F1273-R1277 PolarHBondContact O-N 3.21Å; M1274-R1277 PolarHBondContact O-N 2.82Å; Y1275-R1277 PolarHBondContact O-N 3.33Å; R1277-K1281 PolarHBondContact O-N 2.91Å |
| 1278 | Q | 52 | Low | 46.5 | Very low | 92 Ų | 92 | 111 Ų | 111 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.2 | -47.1 | 176.2 | -174.3 | 62.6 | 18.2 | 0 | 0 | 110.9 | M1274 Y1275 L1276 L1280 K1281 E1282 | M1274-Q1278 WeakPolarHBondContact O-CB 3.28Å; M1274-Q1278 PolarHBondContact O-N 2.98Å; Y1275-Q1278 PolarHBondContact O-N 3.36Å; L1276-Q1278 VanDerWaalsContact C-N 3.33Å; L1276-Q1278 PolarHBondContact O-N 3.47Å; Q1278-L1280 VanDerWaalsContact C-N 3.3Å; Q1278-L1280 PolarHBondContact O-N 2.91Å; Q1278-K1281 WeakPolarHBondContact O-CA 3.44Å; Q1278-K1281 WeakPolarHBondContact O-CB 3.31Å; Q1278-K1281 PolarHBondContact O-N 2.63Å; Q1278-E1282 WeakPolarHBondContact CG-OE1 3.42Å; Q1278-E1282 PolarHBondContact NE2-OE1 3.02Å; Q1278-E1282 WeakPolarHBondContact O-CG 3.44Å; Q1278-E1282 PolarHBondContact O-N 3.42Å |
| 1279 | Y | 45.9 | Very low | 45.9 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 45% | 0.451 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -37.4 | 175.6 | -176.3 | -114.4 | 0 | 0 | 0 | 112.5 | Y1275 L1276 E1282 L1283 | Y1275-Y1279 WeakPolarHBondContact O-CB 3.39Å; Y1275-Y1279 PolarHBondContact O-N 3.15Å; L1276-Y1279 PolarHBondContact O-N 3.36Å; Y1279-E1282 PolarHBondContact O-N 2.96Å; Y1279-L1283 HydrophobicContact CD1-CD1 3.84Å; Y1279-L1283 HydrophobicContact CE1-CD1 3.44Å; Y1279-L1283 VanDerWaalsContact CE1-CD1 3.44Å; Y1279-L1283 HydrophobicContact CE1-CG 4.27Å; Y1279-L1283 HydrophobicContact CE2-CD1 4.44Å; Y1279-L1283 HydrophobicContact CE2-CG 4.43Å; Y1279-L1283 HydrophobicContact CG-CD1 4.5Å; Y1279-L1283 VanDerWaalsContact O-CB 3.32Å; Y1279-L1283 WeakPolarHBondContact O-CB 3.3Å; Y1279-L1283 PolarHBondContact O-N 3.27Å |
| 1280 | L | 44.1 | Very low | 45.2 | Very low | 102 Ų | 102 | 108 Ų | 108 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70 | -30.5 | 173.6 | -73.2 | 168.9 | 0 | 0 | 0 | 113.3 | L1276 Q1278 K1284 | L1276-L1280 HydrophobicContact CG-CD1 4.12Å; L1276-L1280 VanDerWaalsContact O-CB 3.31Å; L1276-L1280 WeakPolarHBondContact O-CB 3.19Å; L1276-L1280 WeakPolarHBondContact O-CG 3.48Å; L1276-L1280 PolarHBondContact O-N 3.08Å; Q1278-L1280 VanDerWaalsContact C-N 3.3Å; Q1278-L1280 PolarHBondContact O-N 2.91Å; L1280-K1284 WeakPolarHBondContact O-CB 3.36Å; L1280-K1284 PolarHBondContact O-N 2.76Å |
| 1281 | K | 48.9 | Very low | 44.4 | Very low | 120 Ų | 120 | 110 Ų | 110 | 52% | 0.522 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 169.2 | -81.8 | -176 | 166.5 | -167 | 0 | 111.7 | R1277 Q1278 K1284 H1285 | R1277-K1281 PolarHBondContact O-N 2.91Å; Q1278-K1281 WeakPolarHBondContact O-CA 3.44Å; Q1278-K1281 WeakPolarHBondContact O-CB 3.31Å; Q1278-K1281 PolarHBondContact O-N 2.63Å; K1281-K1284 PolarHBondContact O-N 2.88Å; K1281-H1285 PolarHBondContact O-CD2 2.89Å; K1281-H1285 PolarHBondContact O-N 3.4Å |
| 1282 | E | 45.4 | Very low | 43.9 | Very low | 97 Ų | 97 | 110.1 Ų | 110.1 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.7 | -37.5 | -178.2 | -72.7 | 168.9 | -174.7 | 0 | 0 | 111.6 | Q1278 Y1279 T1286 | Q1278-E1282 WeakPolarHBondContact CG-OE1 3.42Å; Q1278-E1282 PolarHBondContact NE2-OE1 3.02Å; Q1278-E1282 WeakPolarHBondContact O-CG 3.44Å; Q1278-E1282 PolarHBondContact O-N 3.42Å; Y1279-E1282 PolarHBondContact O-N 2.96Å; E1282-T1286 WeakPolarHBondContact O-CB 3.4Å; E1282-T1286 WeakPolarHBondContact O-CG2 3.24Å; E1282-T1286 PolarHBondContact O-N 2.96Å; E1282-T1286 PolarHBondContact O-OG1 3.39Å |
| 1283 | L | 41.9 | Very low | 43.3 | Very low | 67 Ų | 67 | 110.2 Ų | 110.2 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 168.3 | -89.8 | 168.7 | 0 | 0 | 0 | 112.2 | Y1279 T1286 T1287 | Y1279-L1283 HydrophobicContact CD1-CD1 3.84Å; Y1279-L1283 HydrophobicContact CE1-CD1 3.44Å; Y1279-L1283 VanDerWaalsContact CE1-CD1 3.44Å; Y1279-L1283 HydrophobicContact CE1-CG 4.27Å; Y1279-L1283 HydrophobicContact CE2-CD1 4.44Å; Y1279-L1283 HydrophobicContact CE2-CG 4.43Å; Y1279-L1283 HydrophobicContact CG-CD1 4.5Å; Y1279-L1283 VanDerWaalsContact O-CB 3.32Å; Y1279-L1283 WeakPolarHBondContact O-CB 3.3Å; Y1279-L1283 PolarHBondContact O-N 3.27Å; L1283-T1286 WeakPolarHBondContact CA-OG1 3.41Å; L1283-T1286 PolarHBondContact O-N 3.3Å; L1283-T1286 PolarHBondContact O-OG1 2.94Å; L1283-T1287 PolarHBondContact O-N 3.48Å; L1283-T1287 PolarHBondContact O-OG1 3.35Å |
| 1284 | K | 40.6 | Very low | 42.8 | Very low | 100 Ų | 100 | 111.7 Ų | 111.7 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 179.1 | -172.6 | 159.8 | -178 | 171.7 | 0 | 111 | L1280 K1281 T1286 T1287 E1288 | L1280-K1284 WeakPolarHBondContact O-CB 3.36Å; L1280-K1284 PolarHBondContact O-N 2.76Å; K1281-K1284 PolarHBondContact O-N 2.88Å; K1284-T1286 PolarHBondContact O-N 2.85Å; K1284-T1287 PolarHBondContact O-N 3.45Å; K1284-T1287 PolarHBondContact O-OG1 2.84Å; K1284-T1287 VanDerWaalsContact O-OG1 3.13Å; K1284-E1288 WeakPolarHBondContact CE-OE1 3.44Å; K1284-E1288 VanDerWaalsContact CG-OE1 3.25Å; K1284-E1288 WeakPolarHBondContact CG-OE1 3.09Å; K1284-E1288 IonicContact NZ-OE1 3.22Å; K1284-E1288 WeakPolarHBondContact O-CB 3.26Å; K1284-E1288 VanDerWaalsContact O-CG 3.26Å; K1284-E1288 WeakPolarHBondContact O-CG 3.35Å; K1284-E1288 PolarHBondContact O-N 3.47Å |
| 1285 | H | 44 | Very low | 42 | Very low | 125 Ų | 125 | 112.4 Ų | 112.4 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -35.4 | 176 | -75.5 | -51.1 | 0 | 0 | 0 | 114.2 | K1281 E1288 Q1289 | K1281-H1285 PolarHBondContact O-CD2 2.89Å; K1281-H1285 PolarHBondContact O-N 3.4Å; H1285-E1288 IonicContact ND1-OE2 2.78Å; H1285-Q1289 WeakPolarHBondContact O-CB 3.25Å; H1285-Q1289 PolarHBondContact O-N 3.41Å |
| 1286 | T | 40 | Very low | 41.3 | Very low | 85 Ų | 85 | 107.4 Ų | 107.4 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -76.9 | -30.3 | 179.3 | 48 | 0 | 0 | 0 | 0 | 113.5 | E1282 L1283 K1284 S1290 | E1282-T1286 WeakPolarHBondContact O-CB 3.4Å; E1282-T1286 WeakPolarHBondContact O-CG2 3.24Å; E1282-T1286 PolarHBondContact O-N 2.96Å; E1282-T1286 PolarHBondContact O-OG1 3.39Å; L1283-T1286 WeakPolarHBondContact CA-OG1 3.41Å; L1283-T1286 PolarHBondContact O-N 3.3Å; L1283-T1286 PolarHBondContact O-OG1 2.94Å; K1284-T1286 PolarHBondContact O-N 2.85Å; T1286-S1290 VanDerWaalsContact O-CB 3.31Å; T1286-S1290 WeakPolarHBondContact O-CB 3.23Å; T1286-S1290 PolarHBondContact O-N 2.72Å; T1286-S1290 VanDerWaalsContact O-N 3.1Å; T1286-S1290 PolarHBondContact O-OG 3.31Å |
| 1287 | T | 38.8 | Very low | 40.6 | Very low | 71 Ų | 71 | 107.9 Ų | 107.9 | 44% | 0.436 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.8 | -39.3 | 170.3 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | L1283 K1284 M1291 | L1283-T1287 PolarHBondContact O-N 3.48Å; L1283-T1287 PolarHBondContact O-OG1 3.35Å; K1284-T1287 PolarHBondContact O-N 3.45Å; K1284-T1287 PolarHBondContact O-OG1 2.84Å; K1284-T1287 VanDerWaalsContact O-OG1 3.13Å; T1287-M1291 WeakPolarHBondContact O-CB 3.29Å; T1287-M1291 WeakPolarHBondContact O-CG 3.39Å; T1287-M1291 PolarHBondContact O-N 3.31Å |
| 1288 | E | 38.7 | Very low | 39.5 | Very low | 85 Ų | 85 | 107.3 Ų | 107.3 | 40% | 0.397 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -42.9 | 174.8 | -73.4 | 166.1 | 179 | 0 | 0 | 111.8 | K1284 H1285 I1292 | K1284-E1288 WeakPolarHBondContact CE-OE1 3.44Å; K1284-E1288 VanDerWaalsContact CG-OE1 3.25Å; K1284-E1288 WeakPolarHBondContact CG-OE1 3.09Å; K1284-E1288 IonicContact NZ-OE1 3.22Å; K1284-E1288 WeakPolarHBondContact O-CB 3.26Å; K1284-E1288 VanDerWaalsContact O-CG 3.26Å; K1284-E1288 WeakPolarHBondContact O-CG 3.35Å; K1284-E1288 PolarHBondContact O-N 3.47Å; H1285-E1288 IonicContact ND1-OE2 2.78Å; E1288-I1292 WeakPolarHBondContact O-CD1 3.49Å; E1288-I1292 VanDerWaalsContact O-CG1 3.3Å; E1288-I1292 WeakPolarHBondContact O-CG1 3.47Å |
| 1289 | Q | 38.4 | Very low | 38.4 | Very low | 116 Ų | 116 | 110.9 Ų | 110.9 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.3 | -43.3 | 179.2 | -151 | 70.8 | 49.3 | 0 | 0 | 112.8 | H1285 M1291 I1292 D1293 | H1285-Q1289 WeakPolarHBondContact O-CB 3.25Å; H1285-Q1289 PolarHBondContact O-N 3.41Å; Q1289-M1291 PolarHBondContact O-N 3.02Å; Q1289-I1292 PolarHBondContact O-N 3.46Å; Q1289-D1293 PolarHBondContact O-N 3.2Å |
| 1290 | S | 35.6 | Very low | 37.6 | Very low | 62 Ų | 62 | 111.1 Ų | 111.1 | 43% | 0.434 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.8 | -22.6 | -175.6 | 58.1 | 0 | 0 | 0 | 0 | 114.8 | T1286 | T1286-S1290 VanDerWaalsContact O-CB 3.31Å; T1286-S1290 WeakPolarHBondContact O-CB 3.23Å; T1286-S1290 PolarHBondContact O-N 2.72Å; T1286-S1290 VanDerWaalsContact O-N 3.1Å; T1286-S1290 PolarHBondContact O-OG 3.31Å |
| 1291 | M | 35 | Very low | 37.1 | Very low | 137 Ų | 137 | 113.6 Ų | 113.6 | 68% | 0.675 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.2 | -19.1 | 171.4 | -73.4 | -171.3 | 164.4 | 0 | 0 | 113.6 | T1287 Q1289 N1295 | T1287-M1291 WeakPolarHBondContact O-CB 3.29Å; T1287-M1291 WeakPolarHBondContact O-CG 3.39Å; T1287-M1291 PolarHBondContact O-N 3.31Å; Q1289-M1291 PolarHBondContact O-N 3.02Å; M1291-N1295 PolarHBondContact O-ND2 3.37Å |
| 1292 | I | 40.2 | Very low | 36.1 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.1 | -44.2 | 175.1 | -70.4 | 171.6 | 0 | 0 | 0 | 110.4 | E1288 Q1289 M1294 | E1288-I1292 WeakPolarHBondContact O-CD1 3.49Å; E1288-I1292 VanDerWaalsContact O-CG1 3.3Å; E1288-I1292 WeakPolarHBondContact O-CG1 3.47Å; Q1289-I1292 PolarHBondContact O-N 3.46Å; I1292-M1294 PolarHBondContact O-N 3.26Å |
| 1293 | D | 36.7 | Very low | 35.3 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.7 | -19.6 | -175.7 | -70.4 | -22.8 | 0 | 0 | 0 | 114.6 | Q1289 | Q1289-D1293 PolarHBondContact O-N 3.2Å |
| 1294 | M | 35.5 | Very low | 34.7 | Very low | 164 Ų | 164 | 121.5 Ų | 121.5 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -11.6 | 179.1 | -74.5 | -147.6 | -69.2 | 0 | 0 | 115.8 | I1292 | I1292-M1294 PolarHBondContact O-N 3.26Š|
| 1295 | N | 35.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -98 | 8.2 | 176.4 | -71.7 | -56.9 | 0 | 0 | 0 | 113.3 | M1291 S1297 | M1291-N1295 PolarHBondContact O-ND2 3.37Å; N1295-S1297 PolarHBondContact O-N 3.37Å |
| 1296 | G | 31.8 | Very low | 33.5 | Very low | 64 Ų | 64 | 124.6 Ų | 124.6 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -86.7 | 19.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1297 | S | 31.6 | Very low | 32.9 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -153.6 | 157.2 | 179.3 | -82.8 | 0 | 0 | 0 | 0 | 113.1 | N1295 | N1295-S1297 PolarHBondContact O-N 3.37Š|
| 1298 | L | 29.8 | Very low | 32.3 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 92% | 0.916 | 71% | 0.708 | S | S | * | * | trans | 66.9 | 57.4 | -172.7 | -63.9 | 101.9 | 0 | 0 | 0 | 116 | ||||
| 1299 | N | 28.2 | Very low | 31.7 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | trans | -113.7 | 97.8 | 149.7 | -110.4 | -27.9 | 0 | 0 | 0 | 108.6 | ||||
| 1300 | C | 30 | Very low | 31.2 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -173.7 | 146.9 | 165.1 | -117.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1301 | L | 31.8 | Very low | 30.8 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | 68.5 | 80.1 | 162.1 | -63.5 | 162.9 | 0 | 0 | 0 | 118.2 | ||||
| 1302 | D | 29.7 | Very low | 30.6 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | 25.8 | 142.1 | 118.4 | -56 | -52.8 | 0 | 0 | 0 | 121.2 | |||||
| 1303 | G | 28.6 | Very low | 30.1 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 129 | 87.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1304 | Y | 28.7 | Very low | 29.8 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | 41.1 | 129.6 | 142 | -87.8 | -87.8 | 0 | 0 | 0 | 122.7 | ||||
| 1305 | N | 29.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | trans | 70.3 | 108.3 | 142.3 | -78.1 | -3.2 | 0 | 0 | 0 | 121.7 | ||||
| 1306 | H | 28.7 | Very low | 29.1 | Very low | 162 Ų | 162 | 136 Ų | 136 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | 73.8 | 140.1 | 124.8 | -92.9 | -79.2 | 0 | 0 | 0 | 122.3 | |||||
| 1307 | T | 27.8 | Very low | 28.8 | Very low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | 80.9 | 123.1 | 146.2 | 39.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1308 | T | 27.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | trans | 80.2 | 101.4 | 135.3 | 56 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1309 | Y | 26 | Very low | 28.6 | Very low | 205 Ų | 205 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 76.3 | 132.4 | 124.5 | -84.1 | -90.9 | 0 | 0 | 0 | 122.5 | |||||
| 1310 | N | 27.1 | Very low | 28.6 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | trans | 87.2 | 118.8 | 134.6 | -89.3 | -6.5 | 0 | 0 | 0 | 122.3 | ||||
| 1311 | T | 28 | Very low | 28.5 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 68.8 | 140.6 | 132.9 | 60.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1312 | T | 29.8 | Very low | 28.2 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -157.8 | 170.1 | 5.5 | -1.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1313 | H | 29.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | 18.2 | 133 | 150.9 | -63.6 | -61.8 | 0 | 0 | 0 | 119 | ||||
| 1314 | N | 30.3 | Very low | 28.1 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | -161.8 | 166 | 61 | -123.2 | -38 | 0 | 0 | 0 | 116.3 | |||||
| 1315 | N | 27 | Very low | 28 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | -63.6 | 142.3 | -176 | -53.2 | -46.3 | 0 | 0 | 0 | 114.4 | ||||
| 1316 | S | 30.8 | Very low | 28.1 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | -153.3 | 147.3 | 129.1 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1317 | S | 25.8 | Very low | 28.3 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -82 | 145.8 | -171.5 | -39.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1318 | N | 28.6 | Very low | 28.4 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | -170.3 | 148.5 | 113.5 | -97.6 | -35.9 | 0 | 0 | 0 | 114.2 | |||||
| 1319 | N | 26.6 | Very low | 28.5 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | -67.3 | 136.9 | 173 | -52.9 | -72.7 | 0 | 0 | 0 | 110.8 | ||||
| 1320 | I | 28.6 | Very low | 28.7 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -119.9 | 128.7 | 152.7 | -64.1 | -176.3 | 0 | 0 | 0 | 107.4 | ||||
| 1321 | V | 29.1 | Very low | 28.9 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | trans | -98.3 | 127 | -161.8 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | M1323 | V1321-M1323 HydrophobicContact CG1-CG 3.98Å; V1321-M1323 PolarHBondContact O-N 3.37Å; V1321-M1323 VanDerWaalsContact O-N 3.14Å | ||
| 1322 | Y | 24.8 | Very low | 29.1 | Very low | 233 Ų | 233 | 147.4 Ų | 147.4 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | trans | -60 | 111.3 | 163.3 | -82.5 | -97.6 | 0 | 0 | 0 | 109.8 | ||||
| 1323 | M | 28.3 | Very low | 29 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -133.4 | 144 | 174.7 | -98.4 | -66.2 | 166.1 | 0 | 0 | 112.5 | V1321 | V1321-M1323 HydrophobicContact CG1-CG 3.98Å; V1321-M1323 PolarHBondContact O-N 3.37Å; V1321-M1323 VanDerWaalsContact O-N 3.14Å | ||
| 1324 | N | 27.9 | Very low | 29.1 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | trans | -125.1 | 97.6 | -158 | -174.5 | -33.4 | 0 | 0 | 0 | 110.5 | I1326 | N1324-I1326 PolarHBondContact O-N 3.01Š| ||
| 1325 | P | 27.5 | Very low | 29.1 | Very low | 99 Ų | 99 | 151 Ų | 151 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -81.6 | -13.5 | -160.3 | 28.9 | -34.8 | 0 | 0 | 0 | 115.9 | K1327 | P1325-K1327 PolarHBondContact O-N 3.06Š|
| 1326 | I | 30.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -75.9 | -22.6 | -169.2 | -64.5 | 179.4 | 0 | 0 | 0 | 113.2 | N1324 | N1324-I1326 PolarHBondContact O-N 3.01Š|
| 1327 | K | 32.8 | Very low | 29.2 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -86.3 | -1.9 | 179.9 | -77 | -175.9 | 175.7 | 177.7 | 0 | 115.5 | P1325 | P1325-K1327 PolarHBondContact O-N 3.06Š|
| 1328 | S | 30.6 | Very low | 29.4 | Very low | 83 Ų | 83 | 151.8 Ų | 151.8 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -40.2 | -173.9 | -162.7 | 0 | 0 | 0 | 0 | 114.5 | Y1330 R1331 | S1328-Y1330 VanDerWaalsContact C-N 3.25Å; S1328-Y1330 PolarHBondContact O-N 3.28Å; S1328-Y1330 VanDerWaalsContact O-N 3.1Å; S1328-R1331 PolarHBondContact O-N 3.36Å |
| 1329 | L | 28.7 | Very low | 29.4 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -60.4 | -29.5 | -170.6 | -112.4 | 72.5 | 0 | 0 | 0 | 114.5 | R1331 | L1329-R1331 PolarHBondContact O-N 3.44Š|
| 1330 | Y | 29.6 | Very low | 29.8 | Very low | 219 Ų | 219 | 147 Ų | 147 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -74.3 | -1.8 | -177.2 | -130.1 | -88.9 | 0 | 0 | 0 | 114.7 | S1328 | S1328-Y1330 VanDerWaalsContact C-N 3.25Å; S1328-Y1330 PolarHBondContact O-N 3.28Å; S1328-Y1330 VanDerWaalsContact O-N 3.1Å |
| 1331 | R | 32.7 | Very low | 30.1 | Very low | 235 Ų | 235 | 144.8 Ų | 144.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -109.1 | -8.4 | 179.9 | -75.9 | -170.2 | 172.9 | -162.8 | -1.3 | 115.7 | S1328 L1329 | S1328-R1331 PolarHBondContact O-N 3.36Å; L1329-R1331 PolarHBondContact O-N 3.44Å |
| 1332 | S | 31.5 | Very low | 30.2 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -92.9 | -6.9 | -169.9 | -145.5 | 0 | 0 | 0 | 0 | 115.8 | R1334 | S1332-R1334 PolarHBondContact O-N 2.96Š| ||
| 1333 | M | 28.5 | Very low | 30.5 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -82.8 | 43.5 | -176 | -68.2 | -165.7 | -73.3 | 0 | 0 | 114.8 | ||||
| 1334 | R | 30.8 | Very low | 30.8 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -148.8 | 102.5 | 167.1 | -78 | -164.9 | 177.9 | -164.9 | 0.7 | 112.4 | S1332 | S1332-R1334 PolarHBondContact O-N 2.96Š|
| 1335 | G | 29.6 | Very low | 30.9 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 109.2 | 99.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1336 | S | 30.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 75.3 | 107.9 | 131.4 | -52.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1337 | S | 29.5 | Very low | 31 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | 83.3 | 128.4 | 125.9 | 71.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1338 | L | 30.1 | Very low | 30.8 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 93% | 0.927 | 77% | 0.769 | S | S | * | * | trans | 67.9 | 136.3 | 154 | -56.4 | 155.3 | 0 | 0 | 0 | 117.1 | ||||
| 1339 | G | 28.9 | Very low | 30.9 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | -170.3 | 163.3 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1340 | P | 35.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -89.3 | -176.9 | -172.2 | 39 | -38.6 | 0 | 0 | 0 | 113.7 | ||||
| 1341 | P | 34.3 | Very low | 30.9 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | cis | -127.2 | -148.5 | 14.3 | 42.4 | -21.4 | 0 | 0 | 0 | 113.3 | ||||
| 1342 | S | 32 | Very low | 30.7 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | cis | -161 | 174.8 | 9.1 | 39.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1343 | L | 30 | Very low | 30.6 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -102 | 162.1 | 174.1 | -101.6 | 75.7 | 0 | 0 | 0 | 112.9 | ||||
| 1344 | P | 35.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | -150.2 | -172.7 | 96 | 40.2 | -23.1 | 0 | 0 | 0 | 115.3 | |||||
| 1345 | N | 30.2 | Very low | 30.5 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 66% | 0.658 | 74% | 0.737 | S | S | * | * | -173.4 | 143 | -56.5 | -156.4 | 21.5 | 0 | 0 | 0 | 110.4 | |||||
| 1346 | T | 30.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | 61.5 | 162.2 | 157.2 | 48.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1347 | T | 30.2 | Very low | 30.2 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | cis | -163.2 | 141 | 9.1 | -6.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1348 | T | 28.1 | Very low | 30.2 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | 54.9 | 165.2 | 145.2 | 46.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1349 | T | 31.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | cis | -156.9 | 130.7 | 11.4 | -7.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1350 | T | 28.4 | Very low | 30 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | 44.1 | 150.7 | 134 | 60.1 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1351 | N | 30.9 | Very low | 29.6 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | 84.7 | 144.1 | 147.7 | -67.3 | -6.1 | 0 | 0 | 0 | 120.1 | ||||
| 1352 | T | 29.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | cis | -164.6 | 150 | -19 | 19.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1353 | T | 28.8 | Very low | 29 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | trans | 55.1 | 116.7 | 145.2 | 59.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1354 | N | 28.8 | Very low | 28.9 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | 89.5 | 139.3 | 116.7 | -66.4 | 5.3 | 0 | 0 | 0 | 124.6 | |||||
| 1355 | T | 27.7 | Very low | 28.5 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | 87.8 | 93.8 | 136.7 | 41.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1356 | T | 27.9 | Very low | 28.4 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | 87.4 | 126.5 | 119.6 | -17.3 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1357 | T | 26.9 | Very low | 28.2 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | trans | 49.6 | 112.3 | 147.9 | 45.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1358 | A | 28.9 | Very low | 28 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | 179.1 | 115.8 | 104 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1359 | T | 27.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | 61.5 | 118.9 | 79.3 | -42.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1360 | T | 28 | Very low | 27.6 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | trans | 132.9 | 110.5 | 141 | -53.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1361 | M | 26.4 | Very low | 27.5 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 88% | 0.882 | 71% | 0.707 | S | S | * | * | trans | 67.4 | 159.9 | 154.8 | -65.9 | 174.5 | -169.6 | 0 | 0 | 118 | ||||
| 1362 | V | 27.9 | Very low | 27.4 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | cis | -144.3 | 131.1 | 6.9 | 89.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1363 | T | 27.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | trans | 40.5 | 144.2 | 146.8 | 63.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1364 | N | 26.2 | Very low | 27.2 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | 95.8 | 151.7 | 128.5 | -84.8 | -18.7 | 0 | 0 | 0 | 121.8 | |||||
| 1365 | L | 28 | Very low | 27.1 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | trans | 73.4 | 140 | 172 | -56 | 175.4 | 0 | 0 | 0 | 117.1 | ||||
| 1366 | N | 26.8 | Very low | 27.1 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | cis | -162.9 | 168.5 | -33 | -144 | -16.6 | 0 | 0 | 0 | 111 | ||||
| 1367 | N | 27.1 | Very low | 27.2 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 57% | 0.567 | 72% | 0.722 | S | S | * | * | trans | 58.8 | 117.6 | 147 | -76.9 | -42.4 | 0 | 0 | 0 | 122.4 | ||||
| 1368 | Q | 25.9 | Very low | 27.2 | Very low | 131 Ų | 131 | 143 Ų | 143 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | 82.8 | 141.6 | 120.7 | -70.1 | 176.8 | 37.3 | 0 | 0 | 122.4 | |||||
| 1369 | K | 26.7 | Very low | 27.2 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 70.9 | 150.5 | 153.6 | -70 | 153.5 | 178.7 | 151.9 | 0 | 117.7 | ||||
| 1370 | S | 25.5 | Very low | 27.3 | Very low | 83 Ų | 83 | 150.4 Ų | 150.4 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | cis | 171.2 | 164.4 | -47 | 51 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1371 | D | 26.6 | Very low | 27.4 | Very low | 134 Ų | 134 | 152.3 Ų | 152.3 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | 73.1 | 163.5 | 161.4 | -51 | -58.8 | 0 | 0 | 0 | 118.3 | ||||
| 1372 | F | 27 | Very low | 27.7 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 77% | 0.768 | 74% | 0.735 | S | S | * | * | trans | 66.8 | 135.1 | 179.4 | -76.7 | -107.7 | 0 | 0 | 0 | 118.7 | ||||
| 1373 | Q | 26.2 | Very low | 27.9 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | cis | -170.5 | -174.1 | -27.9 | -130.3 | -176 | 40.3 | 0 | 0 | 110.2 | ||||
| 1374 | Y | 29.2 | Very low | 28 | Very low | 198 Ų | 198 | 144.9 Ų | 144.9 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | 58.1 | 108.3 | 167.1 | -86.5 | -88.7 | 0 | 0 | 0 | 117.7 | ||||
| 1375 | S | 26.1 | Very low | 28.3 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | 71 | 100.3 | 51.3 | -168.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1376 | F | 27.4 | Very low | 28.4 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -155.4 | 155.3 | 144 | -140.2 | -124.7 | 0 | 0 | 0 | 113.8 | ||||
| 1377 | R | 30.2 | Very low | 28.7 | Very low | 229 Ų | 229 | 148.6 Ų | 148.6 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | 62.3 | 83.6 | 171.3 | -73 | 176.3 | 176.7 | 176.3 | -0.9 | 119.3 | ||||
| 1378 | K | 27.1 | Very low | 29 | Very low | 214 Ų | 214 | 148.4 Ų | 148.4 | 93% | 0.93 | 74% | 0.744 | S | S | * | * | trans | -137.9 | 98 | 141.5 | -162.3 | 172.7 | -171.6 | 174.9 | 0 | 109.5 | ||||
| 1379 | K | 28.2 | Very low | 29.3 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | trans | -159.6 | 76.4 | -175.7 | -154.5 | 171.2 | -170.6 | 175.2 | 0 | 115.9 | ||||
| 1380 | L | 29.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -160.1 | 129.9 | 160.2 | -89.8 | 162.7 | 0 | 0 | 0 | 104.7 | ||||
| 1381 | M | 31.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 150.1 Ų | 150.1 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | cis | -139.6 | 153.2 | -0.6 | -49 | -172.3 | -169.1 | 0 | 0 | 112 | ||||
| 1382 | G | 31.5 | Very low | 30.6 | Very low | 65 Ų | 65 | 150.1 Ų | 150.1 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | 68.5 | 163.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1383 | S | 33.1 | Very low | 31.1 | Very low | 71 Ų | 71 | 147.8 Ų | 147.8 | 50% | 0.497 | 75% | 0.754 | S | S | . | * | cis | -139.2 | 155.7 | -8.4 | -98.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1384 | T | 29.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 148 Ų | 148 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | trans | -81.7 | 147.1 | -175.5 | 41.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1385 | M | 32.2 | Very low | 31.9 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | -149.3 | 152.3 | 128.5 | -121.7 | 172.2 | 177.1 | 0 | 0 | 111.4 | |||||
| 1386 | N | 29.7 | Very low | 32.4 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -93.6 | 161.2 | -174.3 | -54.3 | -40.2 | 0 | 0 | 0 | 111.2 | ||||
| 1387 | I | 32.2 | Very low | 32.8 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 86% | 0.862 | 75% | 0.753 | S | S | * | * | -172.5 | 143.9 | 111.4 | -93.9 | 156.5 | 0 | 0 | 0 | 111.5 | |||||
| 1388 | T | 32.9 | Very low | 33 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | trans | -57.9 | 153.7 | -168.5 | 52.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1389 | N | 32.2 | Very low | 33.2 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | 67 | 158.5 | 142.5 | -59.8 | -3.2 | 0 | 0 | 0 | 117.7 | ||||
| 1390 | N | 34.6 | Very low | 33.5 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | cis | -143.6 | 174.4 | 12 | -152.7 | -1.6 | 0 | 0 | 0 | 113.3 | ||||
| 1391 | N | 35.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -75.3 | 172.4 | -176.2 | -62.2 | -39.9 | 0 | 0 | 0 | 115.5 | ||||
| 1392 | N | 37.7 | Very low | 33.8 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 103 | 112 | 143.3 | -72 | -8.1 | 0 | 0 | 0 | 120.5 | ||||
| 1393 | N | 37.5 | Very low | 33.8 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | 91.2 | 123.4 | 121.9 | -65.7 | 2.8 | 0 | 0 | 0 | 121.8 | |||||
| 1394 | N | 36.7 | Very low | 33.9 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 81.5 | 93.4 | 131.7 | -65 | 10.6 | 0 | 0 | 0 | 120.6 | ||||
| 1395 | S | 35.9 | Very low | 34 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | 68.5 | 133.4 | 115.4 | 67 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1396 | S | 35.6 | Very low | 34.1 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 69.9 | 143.2 | 150.4 | 75.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1397 | T | 35.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 124 Ų | 124 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | cis | -160.9 | 175.8 | -17.4 | 12.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1398 | S | 34.6 | Very low | 34.4 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | 61.3 | 92.7 | 148.3 | 58.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1399 | T | 32.2 | Very low | 34.3 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | 69.8 | 161.8 | 121.5 | 48.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1400 | T | 34.4 | Very low | 34.3 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | 80.2 | 80.8 | 158.2 | 33.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1401 | T | 32.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | 56.7 | 141.5 | 114.9 | 56.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1402 | N | 34.6 | Very low | 34 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 93.5 | 111.4 | 149.9 | -63.6 | -16.3 | 0 | 0 | 0 | 120.6 | ||||
| 1403 | T | 31.9 | Very low | 33.8 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 59.7 | 155.7 | 134.1 | 66 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1404 | T | 34.2 | Very low | 33.7 | Very low | 114 Ų | 114 | 124 Ų | 124 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | cis | -160.2 | 152.1 | 19.6 | -17.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1405 | T | 32.2 | Very low | 33.5 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 26 | 126.7 | 149.2 | 52.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1406 | S | 34.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | 175.5 | 167.3 | 128.8 | 39.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1407 | S | 32.8 | Very low | 33 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | -178.5 | 103.9 | -67 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1408 | S | 34.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -177.7 | 128 | 161.3 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1409 | S | 30.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | 102.6 | 85.9 | 8 | 87.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1410 | C | 31.7 | Very low | 32.4 | Very low | 125 Ų | 125 | 136 Ų | 136 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -164.3 | 109.7 | 149.4 | -89.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1411 | L | 31.6 | Very low | 32.2 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | 63.3 | 92.8 | 59.7 | -68.8 | 175.4 | 0 | 0 | 0 | 115.3 | |||||
| 1412 | F | 32.9 | Very low | 32 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | -161.3 | 148.8 | 126.3 | -111.6 | -74.4 | 0 | 0 | 0 | 110.4 | |||||
| 1413 | T | 31.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 179.6 | -174.9 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1414 | P | 35.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | -127.6 | 170.2 | -54.1 | 36.8 | -23.8 | 0 | 0 | 0 | 112.1 | |||||
| 1415 | K | 32.6 | Very low | 31.6 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -170.9 | 151 | 149.4 | -110.8 | 159 | -173.2 | 178.3 | 0 | 114.5 | ||||
| 1416 | Y | 31.6 | Very low | 31.5 | Very low | 214 Ų | 214 | 139.8 Ų | 139.8 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -54.6 | 133.8 | 178.9 | -70.3 | -107.8 | 0 | 0 | 0 | 114.9 | ||||
| 1417 | N | 30.2 | Very low | 31.4 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | 171.9 | 134 | 104.3 | -99.1 | -22.2 | 0 | 0 | 0 | 114.9 | |||||
| 1418 | K | 28.5 | Very low | 31.2 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | 55.2 | 145.8 | 154.1 | -71.4 | -168.8 | 172.3 | -88.4 | 0 | 122.4 | E163 | E163-K1418 IonicContact OE1-NZ 3.98Å; E163-K1418 PolarHBondContact OE1-NZ 3.49Å; E163-K1418 IonicContact OE2-NZ 3.17Å | ||
| 1419 | S | 27.9 | Very low | 31 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 72.2 | 115.2 | 159.1 | 70.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 1420 | P | 32.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -104.9 | 100 | 144.5 | 33.2 | -21.3 | 0 | 0 | 0 | 109.5 | ||||
| 1421 | R | 31 | Very low | 31 | Very low | 210 Ų | 210 | 145 Ų | 145 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | 52.6 | 83.7 | 100.3 | -69.8 | -173.6 | 168.7 | -164.8 | -3.8 | 115.5 | |||||
| 1422 | S | 28.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -61.6 | 137.3 | 144.6 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1423 | L | 30.1 | Very low | 31.2 | Very low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -141.8 | 99.7 | -179 | -98.8 | 169.3 | 0 | 0 | 0 | 111.2 | ||||
| 1424 | S | 28.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -82.5 | 144 | 168 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1425 | P | 32.9 | Very low | 31.3 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | trans | -105.2 | 73.3 | 173.5 | 36.9 | -31.6 | 0 | 0 | 0 | 112.4 | I1427 | P1425-I1427 PolarHBondContact O-N 3.31Š| ||
| 1426 | T | 30.3 | Very low | 31.2 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -75.8 | 99 | 163.5 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | V1428 | T1426-V1428 HydrophobicContact CG2-CG2 4.47Š| ||
| 1427 | I | 32.2 | Very low | 31.1 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | trans | -100 | 101.8 | 177.2 | -62.8 | -178 | 0 | 0 | 0 | 110.7 | P1425 L1429 | P1425-I1427 PolarHBondContact O-N 3.31Å; I1427-L1429 HydrophobicContact CG2-CD1 4.16Å; I1427-L1429 HydrophobicContact CG2-CG 4.1Å | ||
| 1428 | V | 28.8 | Very low | 31.2 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | -81.7 | 132.7 | 165.6 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | T1426 | T1426-V1428 HydrophobicContact CG2-CG2 4.47Š| ||
| 1429 | L | 31.4 | Very low | 31.3 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 41% | 0.408 | 76% | 0.757 | S | S | . | * | trans | -124.6 | 94.5 | 171.5 | -83.3 | 166.8 | 0 | 0 | 0 | 112 | I1427 | I1427-L1429 HydrophobicContact CG2-CD1 4.16Å; I1427-L1429 HydrophobicContact CG2-CG 4.1Å | ||
| 1430 | R | 28.7 | Very low | 31.5 | Very low | 230 Ų | 230 | 140.6 Ų | 140.6 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | -82.1 | 124.5 | 164.4 | -87.4 | -178 | 169 | 174.4 | -2.4 | 110.7 | ||||
| 1431 | K | 33 | Very low | 31.5 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 58% | 0.578 | 76% | 0.755 | S | S | * | * | trans | -145.6 | 121 | 150.6 | -75.8 | -171.8 | -179 | 178.1 | 0 | 104.9 | ||||
| 1432 | T | 34.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | 50.7 | 113.2 | 55.1 | 73.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1433 | T | 35 | Very low | 31.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | cis | -150.2 | 179.2 | 30.4 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1434 | S | 34 | Very low | 31.8 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | 71.4 | 121.7 | 143.2 | 49.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1435 | D | 34.2 | Very low | 32.1 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | 72.9 | 76.8 | 135.6 | -49.1 | -7.8 | 0 | 0 | 0 | 120.3 | ||||
| 1436 | Q | 30.6 | Very low | 32.1 | Very low | 275 Ų | 275 | 143 Ų | 143 | 100% | 1.285 | 75% | 0.746 | S | S | * | * | -165.5 | 0 | 97.2 | -100.8 | -176.7 | -3.1 | 0 | 0 | 112.4 |
Retrieved 1,436 of 1,436 residues in 1387.1 ms
(Link to these results)