| 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 | 60.4 | Low | 84.2 | Confident | 242 Ų | 242 | 73.1 Ų | 73.1 | 100% | 1.192 | 39% | 0.394 | S | S | * | . | 0 | 128.1 | 0 | -72.2 | -173.5 | -79.5 | 0 | 0 | 106.4 | S3 | M1-S3 PolarHBondContact O-N 3.47Š| |||
| 2 | A | 72.4 | Confident | 84.8 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | trans | -61.3 | 137.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E6 L7 | A2-E6 VanDerWaalsContact CA-OE2 3.3Å; A2-E6 WeakPolarHBondContact CA-OE2 3.46Å; A2-L7 HydrophobicContact CB-CD2 3.99Å; A2-L7 HydrophobicContact CB-CG 4.04Å | ||
| 3 | S | 85.3 | Confident | 85.2 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | trans | -70.7 | 153.8 | 179.3 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | M1 S5 E6 L7 | M1-S3 PolarHBondContact O-N 3.47Å; S3-S5 WeakPolarHBondContact CB-OG 3.42Å; S3-S5 PolarHBondContact O-N 2.89Å; S3-S5 VanDerWaalsContact O-N 3.17Å; S3-S5 PolarHBondContact OG-OG 3.16Å; S3-E6 PolarHBondContact N-OE2 2.91Å; S3-E6 VanDerWaalsContact N-OE2 3.12Å; S3-E6 WeakPolarHBondContact O-CB 3.37Å; S3-E6 PolarHBondContact O-N 3.08Å; S3-E6 VanDerWaalsContact OG-CG 3.24Å; S3-E6 WeakPolarHBondContact OG-CG 3.35Å; S3-E6 PolarHBondContact OG-N 3.43Å; S3-E6 PolarHBondContact OG-OE1 3.33Å; S3-L7 WeakPolarHBondContact O-CG 3.31Å; S3-L7 PolarHBondContact O-N 3.44Å | ||
| 4 | V | 86.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 62.1 Ų | 62.1 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.4 | -31.3 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | A8 V37 | V4-A8 VanDerWaalsContact O-CB 3.31Å; V4-A8 WeakPolarHBondContact O-CB 3.42Å; V4-A8 PolarHBondContact O-N 2.99Å; V4-V37 HydrophobicContact CG1-CG1 4.23Å |
| 5 | S | 86.4 | Confident | 85.8 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 172 | 32.6 | 0 | 0 | 0 | 0 | 113.3 | S3 C9 | S3-S5 WeakPolarHBondContact CB-OG 3.42Å; S3-S5 PolarHBondContact O-N 2.89Å; S3-S5 VanDerWaalsContact O-N 3.17Å; S3-S5 PolarHBondContact OG-OG 3.16Å; S5-C9 PolarHBondContact O-N 2.91Å; S5-C9 VanDerWaalsContact O-N 3.14Å |
| 6 | E | 85.8 | Confident | 86.1 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 175.6 | -75.6 | 153.6 | -139.8 | 0 | 0 | 110.9 | A2 S3 A8 C9 I10 W43 | A2-E6 VanDerWaalsContact CA-OE2 3.3Å; A2-E6 WeakPolarHBondContact CA-OE2 3.46Å; S3-E6 PolarHBondContact N-OE2 2.91Å; S3-E6 VanDerWaalsContact N-OE2 3.12Å; S3-E6 WeakPolarHBondContact O-CB 3.37Å; S3-E6 PolarHBondContact O-N 3.08Å; S3-E6 VanDerWaalsContact OG-CG 3.24Å; S3-E6 WeakPolarHBondContact OG-CG 3.35Å; S3-E6 PolarHBondContact OG-N 3.43Å; S3-E6 PolarHBondContact OG-OE1 3.33Å; E6-A8 VanDerWaalsContact C-N 3.35Å; E6-A8 PolarHBondContact O-N 3.45Å; E6-C9 PolarHBondContact O-N 3.37Å; E6-I10 HydrophobicContact CB-CD1 4.46Å; E6-I10 WeakPolarHBondContact O-CB 3.09Å; E6-I10 WeakPolarHBondContact O-CD1 3.21Å; E6-I10 WeakPolarHBondContact O-CG1 3.36Å; E6-I10 PolarHBondContact O-N 3.17Å; E6-W43 HydrophobicContact CG-CD2 4.26Å; E6-W43 HydrophobicContact CG-CE3 3.92Å; E6-W43 HydrophobicContact CG-CH2 3.37Å; E6-W43 HydrophobicContact CG-CZ2 3.76Å; E6-W43 HydrophobicContact CG-CZ3 3.47Å; E6-W43 VanDerWaalsContact CG-CZ3 3.47Å; E6-W43 VanDerWaalsContact OE1-CH2 3.26Å; E6-W43 WeakPolarHBondContact OE1-CH2 3.3Å; E6-W43 WeakPolarHBondContact OE1-CZ2 3.47Å |
| 7 | L | 88.7 | Confident | 86.1 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 32% | 0.319 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 179.3 | -70.6 | 174.9 | 0 | 0 | 0 | 111.4 | A2 S3 C9 I10 Y11 | A2-L7 HydrophobicContact CB-CD2 3.99Å; A2-L7 HydrophobicContact CB-CG 4.04Å; S3-L7 WeakPolarHBondContact O-CG 3.31Å; S3-L7 PolarHBondContact O-N 3.44Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 3.22Å; L7-I10 PolarHBondContact O-N 3.45Å; L7-Y11 HydrophobicContact CB-CD2 4.24Å; L7-Y11 HydrophobicContact CB-CE2 3.96Å; L7-Y11 HydrophobicContact CD2-CE2 4.16Å; L7-Y11 WeakPolarHBondContact O-CD2 3.33Å; L7-Y11 PolarHBondContact O-N 3.29Å |
| 8 | A | 90.4 | Very high | 86.3 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V4 E6 S12 V37 V39 | V4-A8 VanDerWaalsContact O-CB 3.31Å; V4-A8 WeakPolarHBondContact O-CB 3.42Å; V4-A8 PolarHBondContact O-N 2.99Å; E6-A8 VanDerWaalsContact C-N 3.35Å; E6-A8 PolarHBondContact O-N 3.45Å; A8-S12 VanDerWaalsContact O-CB 3.27Å; A8-S12 WeakPolarHBondContact O-CB 3.37Å; A8-S12 PolarHBondContact O-N 3.4Å; A8-S12 PolarHBondContact O-OG 3.22Å; A8-V37 HydrophobicContact CB-CG1 4.09Å; A8-V39 HydrophobicContact CB-CG2 3.84Å |
| 9 | C | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 175.3 | -76 | 0 | 0 | 0 | 0 | 112.7 | S5 E6 L7 S12 A13 W43 F47 | S5-C9 PolarHBondContact O-N 2.91Å; S5-C9 VanDerWaalsContact O-N 3.14Å; E6-C9 PolarHBondContact O-N 3.37Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 3.22Å; C9-S12 WeakPolarHBondContact CA-OG 3.44Å; C9-S12 PolarHBondContact O-N 3.03Å; C9-S12 PolarHBondContact O-OG 3.49Å; C9-A13 WeakPolarHBondContact O-CB 3.18Å; C9-A13 PolarHBondContact O-N 3.16Å; C9-W43 WeakPolarHBondContact SG-CB 3.38Å; C9-F47 HydrophobicContact CB-CD2 3.39Å; C9-F47 HydrophobicContact CB-CE2 3.43Å; C9-F47 VanDerWaalsContact CB-CE2 3.43Å; C9-F47 HydrophobicContact CB-CG 4.1Å; C9-F47 HydrophobicContact CB-CZ 4.17Å |
| 10 | I | 89.9 | Confident | 86.3 | Confident | 63 Ų | 63 | 72 Ų | 72 | 32% | 0.323 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 179.1 | -67.7 | 161.7 | 0 | 0 | 0 | 110.6 | E6 L7 S12 A13 L14 F47 | E6-I10 HydrophobicContact CB-CD1 4.46Å; E6-I10 WeakPolarHBondContact O-CB 3.09Å; E6-I10 WeakPolarHBondContact O-CD1 3.21Å; E6-I10 WeakPolarHBondContact O-CG1 3.36Å; E6-I10 PolarHBondContact O-N 3.17Å; L7-I10 PolarHBondContact O-N 3.45Å; I10-S12 PolarHBondContact O-N 3.39Å; I10-A13 PolarHBondContact O-N 2.96Å; I10-L14 HydrophobicContact CG2-CD1 4.18Å; I10-L14 WeakPolarHBondContact O-CG 3.27Å; I10-L14 PolarHBondContact O-N 3.34Å; I10-F47 HydrophobicContact CD1-CZ 4.4Å; I10-F47 HydrophobicContact CG1-CE1 3.8Å; I10-F47 HydrophobicContact CG1-CZ 3.65Å |
| 11 | Y | 90.1 | Very high | 86.2 | Confident | 139 Ų | 139 | 71.1 Ų | 71.1 | 55% | 0.545 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 179 | -67.2 | -56.4 | 0 | 0 | 0 | 111.9 | L7 A13 L14 I15 | L7-Y11 HydrophobicContact CB-CD2 4.24Å; L7-Y11 HydrophobicContact CB-CE2 3.96Å; L7-Y11 HydrophobicContact CD2-CE2 4.16Å; L7-Y11 WeakPolarHBondContact O-CD2 3.33Å; L7-Y11 PolarHBondContact O-N 3.29Å; Y11-A13 VanDerWaalsContact C-N 3.31Å; Y11-A13 PolarHBondContact O-N 2.92Å; Y11-L14 PolarHBondContact O-N 2.86Å; Y11-I15 WeakPolarHBondContact O-CD1 3.48Å; Y11-I15 VanDerWaalsContact O-CG1 3.23Å; Y11-I15 WeakPolarHBondContact O-CG1 2.96Å; Y11-I15 PolarHBondContact O-N 3.11Å |
| 12 | S | 90.9 | Very high | 87.4 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 175.8 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | A8 C9 I10 L16 L28 | A8-S12 VanDerWaalsContact O-CB 3.27Å; A8-S12 WeakPolarHBondContact O-CB 3.37Å; A8-S12 PolarHBondContact O-N 3.4Å; A8-S12 PolarHBondContact O-OG 3.22Å; C9-S12 WeakPolarHBondContact CA-OG 3.44Å; C9-S12 PolarHBondContact O-N 3.03Å; C9-S12 PolarHBondContact O-OG 3.49Å; I10-S12 PolarHBondContact O-N 3.39Å; S12-L16 VanDerWaalsContact O-CG 3.28Å; S12-L16 WeakPolarHBondContact O-CG 3.23Å; S12-L16 PolarHBondContact O-N 3.32Å; S12-L16 VanDerWaalsContact O-N 3.12Å; S12-L28 WeakPolarHBondContact OG-CD2 3.45Å |
| 13 | A | 89.8 | Confident | 88.1 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C9 I10 Y11 L16 H17 V23 L28 L51 | C9-A13 WeakPolarHBondContact O-CB 3.18Å; C9-A13 PolarHBondContact O-N 3.16Å; I10-A13 PolarHBondContact O-N 2.96Å; Y11-A13 VanDerWaalsContact C-N 3.31Å; Y11-A13 PolarHBondContact O-N 2.92Å; A13-L16 PolarHBondContact O-N 2.88Å; A13-H17 WeakPolarHBondContact O-CB 3.27Å; A13-H17 PolarHBondContact O-N 3.41Å; A13-V23 HydrophobicContact CB-CG1 4.39Å; A13-L28 HydrophobicContact CB-CD2 4.18Å; A13-L51 HydrophobicContact CB-CD1 3.55Å |
| 14 | L | 89.2 | Confident | 88.3 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 29% | 0.293 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 175.4 | -69.4 | 172.8 | 0 | 0 | 0 | 112 | I10 Y11 L16 H17 D18 I56 I60 | I10-L14 HydrophobicContact CG2-CD1 4.18Å; I10-L14 WeakPolarHBondContact O-CG 3.27Å; I10-L14 PolarHBondContact O-N 3.34Å; Y11-L14 PolarHBondContact O-N 2.86Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.02Å; L14-H17 WeakPolarHBondContact O-CB 3.36Å; L14-H17 PolarHBondContact O-N 3.44Å; L14-H17 VanDerWaalsContact O-N 3.14Å; L14-D18 PolarHBondContact O-N 3.14Å; L14-I56 HydrophobicContact CD2-CG2 3.93Å; L14-I60 HydrophobicContact CD2-CD1 3.91Å |
| 15 | I | 90.9 | Very high | 88.5 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 40% | 0.4 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 175.9 | -68.9 | 162.6 | 0 | 0 | 0 | 110.7 | Y11 H17 D18 D19 L31 | Y11-I15 WeakPolarHBondContact O-CD1 3.48Å; Y11-I15 VanDerWaalsContact O-CG1 3.23Å; Y11-I15 WeakPolarHBondContact O-CG1 2.96Å; Y11-I15 PolarHBondContact O-N 3.11Å; I15-H17 VanDerWaalsContact C-N 3.29Å; I15-H17 PolarHBondContact O-N 3.38Å; I15-D18 PolarHBondContact O-N 3.41Å; I15-D19 PolarHBondContact O-N 3.29Å; I15-D19 VanDerWaalsContact O-N 3.11Å; I15-L31 HydrophobicContact CB-CD1 4.4Å; I15-L31 HydrophobicContact CG2-CD1 4.22Å |
| 16 | L | 89.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 178.4 | -69.1 | 173.9 | 0 | 0 | 0 | 112.2 | S12 A13 L14 E20 V21 V23 K27 L28 L31 | S12-L16 VanDerWaalsContact O-CG 3.28Å; S12-L16 WeakPolarHBondContact O-CG 3.23Å; S12-L16 PolarHBondContact O-N 3.32Å; S12-L16 VanDerWaalsContact O-N 3.12Å; A13-L16 PolarHBondContact O-N 2.88Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.02Å; L16-E20 PolarHBondContact O-N 3.43Å; L16-V21 CarbonylContact C-O 3.56Å; L16-V21 HydrophobicContact CD2-CB 4.14Å; L16-V21 HydrophobicContact CD2-CG1 3.9Å; L16-V21 WeakPolarHBondContact O-CA 3.46Å; L16-V21 PolarHBondContact O-N 3.47Å; L16-V23 HydrophobicContact CB-CG2 4.04Å; L16-V23 HydrophobicContact CD1-CG1 4.43Å; L16-K27 HydrophobicContact CD1-CB 3.74Å; L16-K27 HydrophobicContact CD2-CB 3.95Å; L16-K27 HydrophobicContact CD2-CD 4.17Å; L16-L28 HydrophobicContact CD1-CD2 3.74Å; L16-L28 HydrophobicContact CD1-CG 4.09Å; L16-L31 HydrophobicContact CD1-CD1 4.15Å; L16-L31 HydrophobicContact CD2-CD1 3.85Å; L16-L31 HydrophobicContact CG-CD1 3.68Å |
| 17 | H | 87.6 | Confident | 89 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 30% | 0.296 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 175.3 | 179.9 | -91.4 | 0 | 0 | 0 | 112.4 | A13 L14 I15 D19 E20 I56 | A13-H17 WeakPolarHBondContact O-CB 3.27Å; A13-H17 PolarHBondContact O-N 3.41Å; L14-H17 WeakPolarHBondContact O-CB 3.36Å; L14-H17 PolarHBondContact O-N 3.44Å; L14-H17 VanDerWaalsContact O-N 3.14Å; I15-H17 VanDerWaalsContact C-N 3.29Å; I15-H17 PolarHBondContact O-N 3.38Å; H17-D19 VanDerWaalsContact C-N 3.26Å; H17-D19 PolarHBondContact O-N 3.01Å; H17-E20 PolarHBondContact O-N 2.95Å; H17-I56 HydrophobicContact CB-CD1 3.89Å; H17-I56 HydrophobicContact CB-CG2 4.4Å |
| 18 | D | 89.4 | Confident | 89.1 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.1 | -33.5 | 178.8 | -71.1 | -11.5 | 0 | 0 | 0 | 112.2 | L14 I15 E20 | L14-D18 PolarHBondContact O-N 3.14Å; I15-D18 PolarHBondContact O-N 3.41Å; D18-E20 VanDerWaalsContact C-N 3.26Å; D18-E20 PolarHBondContact O-N 2.93Å |
| 19 | D | 87.9 | Confident | 89.1 | Confident | 111 Ų | 111 | 66 Ų | 66 | 59% | 0.594 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 4.2 | 175.6 | -70.3 | -25.2 | 0 | 0 | 0 | 113.4 | I15 H17 V21 | I15-D19 PolarHBondContact O-N 3.29Å; I15-D19 VanDerWaalsContact O-N 3.11Å; H17-D19 VanDerWaalsContact C-N 3.26Å; H17-D19 PolarHBondContact O-N 3.01Å; D19-V21 HydrophobicContact CB-CB 4.42Å; D19-V21 HydrophobicContact CB-CG2 3.78Å; D19-V21 WeakPolarHBondContact O-CG2 3.44Å; D19-V21 PolarHBondContact O-N 3.36Å; D19-V21 VanDerWaalsContact O-N 3.14Å |
| 20 | E | 83.5 | Confident | 89.2 | Confident | 186 Ų | 186 | 68.6 Ų | 68.6 | 87% | 0.869 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 24.6 | -173.4 | -56.7 | -178.8 | 166.8 | 0 | 0 | 113.5 | L16 H17 D18 | L16-E20 PolarHBondContact O-N 3.43Å; H17-E20 PolarHBondContact O-N 2.95Å; D18-E20 VanDerWaalsContact C-N 3.26Å; D18-E20 PolarHBondContact O-N 2.93Å |
| 21 | V | 85.4 | Confident | 89.3 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 33% | 0.327 | 36% | 0.356 | S | S | . | . | trans | -92.7 | 130.7 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | L16 D19 V23 K27 | L16-V21 CarbonylContact C-O 3.56Å; L16-V21 HydrophobicContact CD2-CB 4.14Å; L16-V21 HydrophobicContact CD2-CG1 3.9Å; L16-V21 WeakPolarHBondContact O-CA 3.46Å; L16-V21 PolarHBondContact O-N 3.47Å; D19-V21 HydrophobicContact CB-CB 4.42Å; D19-V21 HydrophobicContact CB-CG2 3.78Å; D19-V21 WeakPolarHBondContact O-CG2 3.44Å; D19-V21 PolarHBondContact O-N 3.36Å; D19-V21 VanDerWaalsContact O-N 3.14Å; V21-V23 PolarHBondContact O-N 2.97Å; V21-K27 HydrophobicContact CG1-CD 3.44Å; V21-K27 VanDerWaalsContact CG1-CD 3.44Å | ||
| 22 | T | 86 | Confident | 89.3 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 60% | 0.595 | 33% | 0.333 | S | S | * | . | trans | -55.5 | 127.7 | 178.5 | 55.5 | 0 | 0 | 0 | 0 | 112 | T24 K27 | T22-T24 PolarHBondContact O-N 2.88Å; T22-T24 VanDerWaalsContact O-N 3.13Å; T22-K27 WeakPolarHBondContact O-CD 3.44Å; T22-K27 PolarHBondContact O-NZ 3.19Å; T22-K27 PolarHBondContact OG1-NZ 2.84Å | ||
| 23 | V | 87 | Confident | 89.3 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | trans | -73.1 | 101.8 | 178.9 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | A13 L16 V21 L28 L51 I56 | A13-V23 HydrophobicContact CB-CG1 4.39Å; L16-V23 HydrophobicContact CB-CG2 4.04Å; L16-V23 HydrophobicContact CD1-CG1 4.43Å; V21-V23 PolarHBondContact O-N 2.97Å; V23-L28 HydrophobicContact CG1-CD1 3.92Å; V23-L28 HydrophobicContact CG1-CD2 4.07Å; V23-L28 HydrophobicContact CG1-CG 4.15Å; V23-L51 HydrophobicContact CG1-CD1 4.05Å; V23-I56 HydrophobicContact CG2-CD1 4.23Å | ||
| 24 | T | 89.3 | Confident | 89.4 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | trans | -123.5 | 155.3 | 178 | 62.8 | 0 | 0 | 0 | 0 | 111 | T22 D26 K27 L28 | T22-T24 PolarHBondContact O-N 2.88Å; T22-T24 VanDerWaalsContact O-N 3.13Å; T24-D26 VanDerWaalsContact C-N 3.26Å; T24-D26 PolarHBondContact O-N 3.24Å; T24-K27 PolarHBondContact O-N 3.44Å; T24-K27 VanDerWaalsContact O-N 3.16Å; T24-K27 WeakPolarHBondContact OG1-CG 3.46Å; T24-L28 WeakPolarHBondContact O-CG 3.2Å; T24-L28 PolarHBondContact O-N 3.17Å | ||
| 25 | E | 90.8 | Very high | 89.4 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -51.3 | -45 | 177.5 | -85.8 | 178.2 | -157.4 | 0 | 0 | 112.5 | K27 L28 N29 S45 A48 | E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.91Å; E25-L28 PolarHBondContact O-N 2.78Å; E25-N29 VanDerWaalsContact O-CB 3.27Å; E25-N29 WeakPolarHBondContact O-CB 3.5Å; E25-N29 VanDerWaalsContact O-CG 3.23Å; E25-N29 PolarHBondContact O-N 3.31Å; E25-N29 PolarHBondContact O-ND2 3.4Å; E25-S45 WeakPolarHBondContact OE1-CA 3.5Å; E25-S45 WeakPolarHBondContact OE1-CB 3.24Å; E25-A48 HydrophobicContact CG-CB 3.89Å |
| 26 | D | 90.7 | Very high | 89.4 | Confident | 129 Ų | 129 | 73.7 Ų | 73.7 | 69% | 0.69 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.8 | -40 | -177.4 | -64.5 | -37.6 | 0 | 0 | 0 | 112.5 | T24 A30 | T24-D26 VanDerWaalsContact C-N 3.26Å; T24-D26 PolarHBondContact O-N 3.24Å; D26-A30 WeakPolarHBondContact O-CB 3.14Å; D26-A30 PolarHBondContact O-N 3.03Å |
| 27 | K | 91.2 | Very high | 89.3 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 29% | 0.291 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.3 | -39.4 | -178.5 | -65 | 177.8 | -167.6 | 164 | 0 | 111.8 | L16 V21 T22 T24 E25 N29 A30 L31 | L16-K27 HydrophobicContact CD1-CB 3.74Å; L16-K27 HydrophobicContact CD2-CB 3.95Å; L16-K27 HydrophobicContact CD2-CD 4.17Å; V21-K27 HydrophobicContact CG1-CD 3.44Å; V21-K27 VanDerWaalsContact CG1-CD 3.44Å; T22-K27 WeakPolarHBondContact O-CD 3.44Å; T22-K27 PolarHBondContact O-NZ 3.19Å; T22-K27 PolarHBondContact OG1-NZ 2.84Å; T24-K27 PolarHBondContact O-N 3.44Å; T24-K27 VanDerWaalsContact O-N 3.16Å; T24-K27 WeakPolarHBondContact OG1-CG 3.46Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.91Å; K27-N29 VanDerWaalsContact C-N 3.32Å; K27-N29 PolarHBondContact O-N 2.94Å; K27-A30 PolarHBondContact O-N 3.14Å; K27-L31 WeakPolarHBondContact O-CG 3.34Å; K27-L31 PolarHBondContact O-N 3.41Å |
| 28 | L | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 171.5 | -67.1 | 173 | 0 | 0 | 0 | 110.1 | S12 A13 L16 V23 T24 E25 A30 L31 I32 P44 F47 A48 | S12-L28 WeakPolarHBondContact OG-CD2 3.45Å; A13-L28 HydrophobicContact CB-CD2 4.18Å; L16-L28 HydrophobicContact CD1-CD2 3.74Å; L16-L28 HydrophobicContact CD1-CG 4.09Å; V23-L28 HydrophobicContact CG1-CD1 3.92Å; V23-L28 HydrophobicContact CG1-CD2 4.07Å; V23-L28 HydrophobicContact CG1-CG 4.15Å; T24-L28 WeakPolarHBondContact O-CG 3.2Å; T24-L28 PolarHBondContact O-N 3.17Å; E25-L28 PolarHBondContact O-N 2.78Å; L28-A30 VanDerWaalsContact C-N 3.33Å; L28-A30 PolarHBondContact O-N 2.84Å; L28-L31 PolarHBondContact O-N 3.02Å; L28-I32 WeakPolarHBondContact O-CB 3.39Å; L28-I32 WeakPolarHBondContact O-CD1 3.39Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.47Å; L28-P44 HydrophobicContact CB-CB 4.11Å; L28-P44 HydrophobicContact CD1-CB 4.38Å; L28-F47 HydrophobicContact CD1-CB 4.12Å; L28-A48 HydrophobicContact CD1-CB 4.41Å |
| 29 | N | 91.1 | Very high | 89.2 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 176.1 | -76 | -40 | 0 | 0 | 0 | 112.7 | E25 K27 K33 P44 | E25-N29 VanDerWaalsContact O-CB 3.27Å; E25-N29 WeakPolarHBondContact O-CB 3.5Å; E25-N29 VanDerWaalsContact O-CG 3.23Å; E25-N29 PolarHBondContact O-N 3.31Å; E25-N29 PolarHBondContact O-ND2 3.4Å; K27-N29 VanDerWaalsContact C-N 3.32Å; K27-N29 PolarHBondContact O-N 2.94Å; N29-K33 WeakPolarHBondContact O-CB 3.31Å; N29-K33 WeakPolarHBondContact O-CG 3.12Å; N29-K33 PolarHBondContact O-N 3.12Å; N29-P44 WeakPolarHBondContact OD1-CG 3.28Å |
| 30 | A | 91.9 | Very high | 89.2 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D26 K27 L28 K33 A34 | D26-A30 WeakPolarHBondContact O-CB 3.14Å; D26-A30 PolarHBondContact O-N 3.03Å; K27-A30 PolarHBondContact O-N 3.14Å; L28-A30 VanDerWaalsContact C-N 3.33Å; L28-A30 PolarHBondContact O-N 2.84Å; A30-K33 PolarHBondContact O-N 2.85Å; A30-A34 WeakPolarHBondContact O-CB 3.43Å; A30-A34 PolarHBondContact O-N 3.03Å |
| 31 | L | 91 | Very high | 89.3 | Confident | 53 Ų | 53 | 71 Ų | 71 | 28% | 0.277 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 177.5 | -70.6 | 176.1 | 0 | 0 | 0 | 112.1 | I15 L16 K27 L28 K33 A34 A35 | I15-L31 HydrophobicContact CB-CD1 4.4Å; I15-L31 HydrophobicContact CG2-CD1 4.22Å; L16-L31 HydrophobicContact CD1-CD1 4.15Å; L16-L31 HydrophobicContact CD2-CD1 3.85Å; L16-L31 HydrophobicContact CG-CD1 3.68Å; K27-L31 WeakPolarHBondContact O-CG 3.34Å; K27-L31 PolarHBondContact O-N 3.41Å; L28-L31 PolarHBondContact O-N 3.02Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 2.9Å; L31-A34 PolarHBondContact O-N 2.79Å; L31-A35 WeakPolarHBondContact O-CB 2.91Å; L31-A35 PolarHBondContact O-N 3.14Å |
| 32 | I | 90.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 5% | 0.046 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.2 | -71.6 | 164.4 | 0 | 0 | 0 | 111 | L28 A35 G36 V37 V39 P44 | L28-I32 WeakPolarHBondContact O-CB 3.39Å; L28-I32 WeakPolarHBondContact O-CD1 3.39Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.47Å; I32-A35 PolarHBondContact O-N 2.93Å; I32-G36 PolarHBondContact O-N 3.22Å; I32-G36 VanDerWaalsContact O-N 3.16Å; I32-V37 HydrophobicContact CG2-CB 4.48Å; I32-V37 WeakPolarHBondContact CG2-O 3.04Å; I32-V37 PolarHBondContact O-N 2.95Å; I32-V39 HydrophobicContact CB-CG2 4.47Å; I32-V39 HydrophobicContact CD1-CB 4.08Å; I32-V39 HydrophobicContact CD1-CG1 4.33Å; I32-V39 HydrophobicContact CD1-CG2 4.02Å; I32-V39 HydrophobicContact CG1-CG2 4.15Å; I32-V39 HydrophobicContact CG2-CB 3.88Å; I32-V39 HydrophobicContact CG2-CG2 3.48Å; I32-V39 VanDerWaalsContact CG2-CG2 3.48Å; I32-P44 HydrophobicContact CD1-CG 3.87Å |
| 33 | K | 90.4 | Very high | 89.7 | Confident | 164 Ų | 164 | 72 Ų | 72 | 71% | 0.713 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 174.6 | -74.8 | 172 | -176.3 | 174 | 0 | 112.1 | N29 A30 L31 A35 G36 | N29-K33 WeakPolarHBondContact O-CB 3.31Å; N29-K33 WeakPolarHBondContact O-CG 3.12Å; N29-K33 PolarHBondContact O-N 3.12Å; A30-K33 PolarHBondContact O-N 2.85Å; L31-K33 VanDerWaalsContact C-N 3.33Å; L31-K33 PolarHBondContact O-N 2.9Å; K33-A35 VanDerWaalsContact C-N 3.26Å; K33-A35 PolarHBondContact O-N 2.83Å; K33-G36 PolarHBondContact O-N 3.13Å; K33-G36 VanDerWaalsContact O-N 3.08Å |
| 34 | A | 92.6 | Very high | 89.8 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 74% | 0.744 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.4 | -34.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A30 L31 G36 | A30-A34 WeakPolarHBondContact O-CB 3.43Å; A30-A34 PolarHBondContact O-N 3.03Å; L31-A34 PolarHBondContact O-N 2.79Å; A34-G36 VanDerWaalsContact C-N 3.27Å; A34-G36 PolarHBondContact O-N 3.25Å |
| 35 | A | 89.9 | Confident | 89.8 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 59% | 0.587 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L31 I32 K33 V37 | L31-A35 WeakPolarHBondContact O-CB 2.91Å; L31-A35 PolarHBondContact O-N 3.14Å; I32-A35 PolarHBondContact O-N 2.93Å; K33-A35 VanDerWaalsContact C-N 3.26Å; K33-A35 PolarHBondContact O-N 2.83Å; A35-V37 HydrophobicContact CB-CG2 4.05Å; A35-V37 PolarHBondContact O-N 3.16Å |
| 36 | G | 89.1 | Confident | 89.8 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 20 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I32 K33 A34 | I32-G36 PolarHBondContact O-N 3.22Å; I32-G36 VanDerWaalsContact O-N 3.16Å; K33-G36 PolarHBondContact O-N 3.13Å; K33-G36 VanDerWaalsContact O-N 3.08Å; A34-G36 VanDerWaalsContact C-N 3.27Å; A34-G36 PolarHBondContact O-N 3.25Å |
| 37 | V | 89.6 | Confident | 89.7 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | trans | -95 | 134.6 | -178.3 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | V4 A8 I32 A35 V39 | V4-V37 HydrophobicContact CG1-CG1 4.23Å; A8-V37 HydrophobicContact CB-CG1 4.09Å; I32-V37 HydrophobicContact CG2-CB 4.48Å; I32-V37 WeakPolarHBondContact CG2-O 3.04Å; I32-V37 PolarHBondContact O-N 2.95Å; A35-V37 HydrophobicContact CB-CG2 4.05Å; A35-V37 PolarHBondContact O-N 3.16Å; V37-V39 HydrophobicContact CB-CG2 4.45Å; V37-V39 HydrophobicContact CG1-CG2 3.84Å; V37-V39 PolarHBondContact O-N 3.4Å | ||
| 38 | T | 85.2 | Confident | 89.6 | Confident | 140 Ų | 140 | 61.9 Ų | 61.9 | 86% | 0.859 | 37% | 0.37 | S | S | * | . | trans | -85.9 | 108.3 | 172.1 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | V | 87.9 | Confident | 89.5 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 14% | 0.139 | 40% | 0.4 | C | S | . | . | trans | -116.1 | 137.3 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 109 | A8 I32 V37 W43 | A8-V39 HydrophobicContact CB-CG2 3.84Å; I32-V39 HydrophobicContact CB-CG2 4.47Å; I32-V39 HydrophobicContact CD1-CB 4.08Å; I32-V39 HydrophobicContact CD1-CG1 4.33Å; I32-V39 HydrophobicContact CD1-CG2 4.02Å; I32-V39 HydrophobicContact CG1-CG2 4.15Å; I32-V39 HydrophobicContact CG2-CB 3.88Å; I32-V39 HydrophobicContact CG2-CG2 3.48Å; I32-V39 VanDerWaalsContact CG2-CG2 3.48Å; V37-V39 HydrophobicContact CB-CG2 4.45Å; V37-V39 HydrophobicContact CG1-CG2 3.84Å; V37-V39 PolarHBondContact O-N 3.4Å; V39-W43 HydrophobicContact CG1-CB 3.85Å; V39-W43 HydrophobicContact CG1-CG 4.24Å | ||
| 40 | E | 88 | Confident | 89.3 | Confident | 127 Ų | 127 | 68.5 Ų | 68.5 | 59% | 0.593 | 40% | 0.404 | S | S | * | . | trans | -65.5 | 135.5 | 176.4 | -167.7 | 177.4 | -175.7 | 0 | 0 | 110.2 | F42 W43 P44 | E40-F42 HydrophobicContact CG-CB 4.24Å; E40-F42 PolarHBondContact O-N 3.46Å; E40-W43 PolarHBondContact O-N 2.98Å; E40-P44 WeakPolarHBondContact O-CD 3.46Å | ||
| 41 | P | 87.1 | Confident | 88.9 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.9 | -176.8 | 21.6 | -33.8 | 0 | 0 | 0 | 114 | W43 S45 | P41-W43 VanDerWaalsContact C-N 3.31Å; P41-W43 PolarHBondContact O-N 3.43Å; P41-S45 PolarHBondContact O-N 3.26Å |
| 42 | F | 88.9 | Confident | 88.6 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -55.5 | -44.1 | 170.8 | 180 | -106.3 | 0 | 0 | 0 | 112.3 | E40 S45 L46 | E40-F42 HydrophobicContact CG-CB 4.24Å; E40-F42 PolarHBondContact O-N 3.46Å; F42-S45 PolarHBondContact O-N 3.12Å; F42-S45 PolarHBondContact O-OG 3.08Å; F42-L46 HydrophobicContact CE1-CD1 3.63Å; F42-L46 HydrophobicContact CZ-CD1 3.69Å; F42-L46 WeakPolarHBondContact O-CB 3.38Å; F42-L46 PolarHBondContact O-N 2.93Å |
| 43 | W | 89.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 21% | 0.212 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.2 | -53.4 | -173.8 | -64.3 | 102.3 | 0 | 0 | 0 | 113.6 | E6 C9 V39 E40 P41 S45 L46 F47 | E6-W43 HydrophobicContact CG-CD2 4.26Å; E6-W43 HydrophobicContact CG-CE3 3.92Å; E6-W43 HydrophobicContact CG-CH2 3.37Å; E6-W43 HydrophobicContact CG-CZ2 3.76Å; E6-W43 HydrophobicContact CG-CZ3 3.47Å; E6-W43 VanDerWaalsContact CG-CZ3 3.47Å; E6-W43 VanDerWaalsContact OE1-CH2 3.26Å; E6-W43 WeakPolarHBondContact OE1-CH2 3.3Å; E6-W43 WeakPolarHBondContact OE1-CZ2 3.47Å; C9-W43 WeakPolarHBondContact SG-CB 3.38Å; V39-W43 HydrophobicContact CG1-CB 3.85Å; V39-W43 HydrophobicContact CG1-CG 4.24Å; E40-W43 PolarHBondContact O-N 2.98Å; P41-W43 VanDerWaalsContact C-N 3.31Å; P41-W43 PolarHBondContact O-N 3.43Å; W43-S45 PolarHBondContact O-N 3.5Å; W43-S45 VanDerWaalsContact O-N 3.16Å; W43-L46 PolarHBondContact O-N 2.99Å; W43-L46 VanDerWaalsContact O-N 3.08Å; W43-F47 HydrophobicContact CE3-CD2 4.5Å; W43-F47 AromaticContact CE3-CE2 3.87Å; W43-F47 HydrophobicContact CE3-CE2 3.87Å; W43-F47 VanDerWaalsContact O-CD2 3.27Å; W43-F47 WeakPolarHBondContact O-CD2 3.23Å; W43-F47 PolarHBondContact O-N 2.74Å |
| 44 | P | 89.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.006 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -54.4 | -37.3 | 176 | -25.5 | 34.8 | 0 | 0 | 0 | 112.6 | L28 N29 I32 E40 A48 | L28-P44 HydrophobicContact CB-CB 4.11Å; L28-P44 HydrophobicContact CD1-CB 4.38Å; N29-P44 WeakPolarHBondContact OD1-CG 3.28Å; I32-P44 HydrophobicContact CD1-CG 3.87Å; E40-P44 WeakPolarHBondContact O-CD 3.46Å; P44-A48 VanDerWaalsContact O-CB 3.31Å; P44-A48 WeakPolarHBondContact O-CB 3.27Å; P44-A48 PolarHBondContact O-N 2.97Å |
| 45 | S | 89.9 | Confident | 87.3 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 15% | 0.154 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 178.2 | 81.2 | 0 | 0 | 0 | 0 | 113.6 | E25 P41 F42 W43 K49 | E25-S45 WeakPolarHBondContact OE1-CA 3.5Å; E25-S45 WeakPolarHBondContact OE1-CB 3.24Å; P41-S45 PolarHBondContact O-N 3.26Å; F42-S45 PolarHBondContact O-N 3.12Å; F42-S45 PolarHBondContact O-OG 3.08Å; W43-S45 PolarHBondContact O-N 3.5Å; W43-S45 VanDerWaalsContact O-N 3.16Å; S45-K49 WeakPolarHBondContact O-CG 3.25Å; S45-K49 PolarHBondContact O-N 3.22Å |
| 46 | L | 89.9 | Confident | 86.9 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 36% | 0.356 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -48.2 | 177.1 | -171.4 | 160.9 | 0 | 0 | 0 | 109.8 | F42 W43 K49 A50 | F42-L46 HydrophobicContact CE1-CD1 3.63Å; F42-L46 HydrophobicContact CZ-CD1 3.69Å; F42-L46 WeakPolarHBondContact O-CB 3.38Å; F42-L46 PolarHBondContact O-N 2.93Å; W43-L46 PolarHBondContact O-N 2.99Å; W43-L46 VanDerWaalsContact O-N 3.08Å; L46-K49 PolarHBondContact O-N 2.94Å; L46-A50 HydrophobicContact CD2-CB 4.38Å; L46-A50 VanDerWaalsContact O-CB 3.28Å; L46-A50 WeakPolarHBondContact O-CB 3.26Å; L46-A50 PolarHBondContact O-N 3.44Å |
| 47 | F | 88.1 | Confident | 86.5 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 15% | 0.149 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | -179.4 | -83.6 | -80.5 | 0 | 0 | 0 | 112.6 | C9 I10 L28 W43 K49 A50 L51 | C9-F47 HydrophobicContact CB-CD2 3.39Å; C9-F47 HydrophobicContact CB-CE2 3.43Å; C9-F47 VanDerWaalsContact CB-CE2 3.43Å; C9-F47 HydrophobicContact CB-CG 4.1Å; C9-F47 HydrophobicContact CB-CZ 4.17Å; I10-F47 HydrophobicContact CD1-CZ 4.4Å; I10-F47 HydrophobicContact CG1-CE1 3.8Å; I10-F47 HydrophobicContact CG1-CZ 3.65Å; L28-F47 HydrophobicContact CD1-CB 4.12Å; W43-F47 HydrophobicContact CE3-CD2 4.5Å; W43-F47 AromaticContact CE3-CE2 3.87Å; W43-F47 HydrophobicContact CE3-CE2 3.87Å; W43-F47 VanDerWaalsContact O-CD2 3.27Å; W43-F47 WeakPolarHBondContact O-CD2 3.23Å; W43-F47 PolarHBondContact O-N 2.74Å; F47-K49 VanDerWaalsContact C-N 3.31Å; F47-K49 PolarHBondContact O-N 3.39Å; F47-A50 PolarHBondContact O-N 2.84Å; F47-L51 HydrophobicContact CB-CD1 4.44Å; F47-L51 HydrophobicContact CD1-CD1 4.14Å; F47-L51 VanDerWaalsContact O-CB 3.25Å; F47-L51 WeakPolarHBondContact O-CB 3.28Å; F47-L51 VanDerWaalsContact O-CG 3.23Å; F47-L51 WeakPolarHBondContact O-CG 3.48Å; F47-L51 PolarHBondContact O-N 3.28Å |
| 48 | A | 89.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 12% | 0.124 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E25 L28 P44 S52 | E25-A48 HydrophobicContact CG-CB 3.89Å; L28-A48 HydrophobicContact CD1-CB 4.41Å; P44-A48 VanDerWaalsContact O-CB 3.31Å; P44-A48 WeakPolarHBondContact O-CB 3.27Å; P44-A48 PolarHBondContact O-N 2.97Å; A48-S52 PolarHBondContact O-N 3.03Å |
| 49 | K | 89 | Confident | 86 | Confident | 144 Ų | 144 | 61.9 Ų | 61.9 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.9 | -45.9 | 177.6 | -71 | 171 | -174.4 | 167 | 0 | 112.1 | S45 L46 F47 L51 S52 | S45-K49 WeakPolarHBondContact O-CG 3.25Å; S45-K49 PolarHBondContact O-N 3.22Å; L46-K49 PolarHBondContact O-N 2.94Å; F47-K49 VanDerWaalsContact C-N 3.31Å; F47-K49 PolarHBondContact O-N 3.39Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-L51 PolarHBondContact O-N 3.09Å; K49-S52 PolarHBondContact O-N 3.31Å; K49-S52 PolarHBondContact O-OG 3.41Å |
| 50 | A | 86.9 | Confident | 85.7 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L46 F47 S52 I54 | L46-A50 HydrophobicContact CD2-CB 4.38Å; L46-A50 VanDerWaalsContact O-CB 3.28Å; L46-A50 WeakPolarHBondContact O-CB 3.26Å; L46-A50 PolarHBondContact O-N 3.44Å; F47-A50 PolarHBondContact O-N 2.84Å; A50-S52 VanDerWaalsContact C-N 3.31Å; A50-S52 PolarHBondContact O-N 3.32Å; A50-I54 WeakPolarHBondContact O-CD1 3.35Å; A50-I54 WeakPolarHBondContact O-CG1 3.28Å |
| 51 | L | 84.6 | Confident | 85.3 | Confident | 32 Ų | 32 | 64.4 Ų | 64.4 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.7 | -176 | -60.5 | 174.4 | 0 | 0 | 0 | 113.7 | A13 V23 F47 K49 S53 I56 | A13-L51 HydrophobicContact CB-CD1 3.55Å; V23-L51 HydrophobicContact CG1-CD1 4.05Å; F47-L51 HydrophobicContact CB-CD1 4.44Å; F47-L51 HydrophobicContact CD1-CD1 4.14Å; F47-L51 VanDerWaalsContact O-CB 3.25Å; F47-L51 WeakPolarHBondContact O-CB 3.28Å; F47-L51 VanDerWaalsContact O-CG 3.23Å; F47-L51 WeakPolarHBondContact O-CG 3.48Å; F47-L51 PolarHBondContact O-N 3.28Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-L51 PolarHBondContact O-N 3.09Å; L51-S53 VanDerWaalsContact C-N 3.27Å; L51-S53 PolarHBondContact O-N 3.38Å; L51-I56 HydrophobicContact CD1-CD1 4.27Å; L51-I56 HydrophobicContact CD2-CD1 4.3Å; L51-I56 HydrophobicContact CD2-CG1 4.05Å |
| 52 | S | 83.8 | Confident | 84.9 | Confident | 97 Ų | 97 | 64 Ų | 64 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.4 | 179.3 | 67.8 | 0 | 0 | 0 | 0 | 114 | A48 K49 A50 | A48-S52 PolarHBondContact O-N 3.03Å; K49-S52 PolarHBondContact O-N 3.31Å; K49-S52 PolarHBondContact O-OG 3.41Å; A50-S52 VanDerWaalsContact C-N 3.31Å; A50-S52 PolarHBondContact O-N 3.32Å |
| 53 | S | 81.8 | Confident | 83.9 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 75% | 0.748 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -118.1 | 5.3 | -178.2 | 61 | 0 | 0 | 0 | 0 | 113.6 | L51 | L51-S53 VanDerWaalsContact C-N 3.27Å; L51-S53 PolarHBondContact O-N 3.38Å |
| 54 | I | 81.8 | Confident | 82.6 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 35% | 0.354 | 41% | 0.405 | S | S | . | . | trans | -113.4 | 129 | -174.1 | -57.7 | 175 | 0 | 0 | 0 | 109.8 | A50 I56 L59 | A50-I54 WeakPolarHBondContact O-CD1 3.35Å; A50-I54 WeakPolarHBondContact O-CG1 3.28Å; I54-I56 PolarHBondContact O-N 3.37Å; I54-L59 HydrophobicContact CG2-CD1 3.26Å; I54-L59 HydrophobicContact CG2-CD2 4.11Å; I54-L59 HydrophobicContact CG2-CG 3.52Å | ||
| 55 | D | 82.8 | Confident | 81.1 | Confident | 95 Ų | 95 | 69 Ų | 69 | 51% | 0.508 | 43% | 0.431 | S | S | . | . | trans | -79.7 | 105.9 | 170 | 179.1 | 10.3 | 0 | 0 | 0 | 110 | G57 S58 L59 | D55-G57 VanDerWaalsContact C-N 3.26Å; D55-G57 PolarHBondContact O-N 3.46Å; D55-G57 PolarHBondContact OD1-N 2.72Å; D55-G57 VanDerWaalsContact OD1-N 3.09Å; D55-S58 PolarHBondContact O-N 3.46Å; D55-S58 PolarHBondContact O-OG 3.1Å; D55-L59 PolarHBondContact O-N 3.43Å; D55-L59 VanDerWaalsContact O-N 3.08Å | ||
| 56 | I | 81.4 | Confident | 79.2 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 9% | 0.087 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63 | -34.2 | -177.6 | -58.6 | 168.9 | 0 | 0 | 0 | 110.7 | L14 H17 V23 L51 I54 L59 I60 | L14-I56 HydrophobicContact CD2-CG2 3.93Å; H17-I56 HydrophobicContact CB-CD1 3.89Å; H17-I56 HydrophobicContact CB-CG2 4.4Å; V23-I56 HydrophobicContact CG2-CD1 4.23Å; L51-I56 HydrophobicContact CD1-CD1 4.27Å; L51-I56 HydrophobicContact CD2-CD1 4.3Å; L51-I56 HydrophobicContact CD2-CG1 4.05Å; I54-I56 PolarHBondContact O-N 3.37Å; I56-L59 WeakPolarHBondContact O-CB 3.06Å; I56-L59 PolarHBondContact O-N 3.45Å; I56-I60 HydrophobicContact CG2-CD1 3.96Å; I56-I60 HydrophobicContact CG2-CG1 4.47Å; I56-I60 VanDerWaalsContact O-CG1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 3.17Å; I56-I60 PolarHBondContact O-N 3.35Å |
| 57 | G | 81.7 | Confident | 77.7 | Confident | 23 Ų | 23 | 72.7 Ų | 72.7 | 24% | 0.237 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D55 L59 I60 C61 | D55-G57 VanDerWaalsContact C-N 3.26Å; D55-G57 PolarHBondContact O-N 3.46Å; D55-G57 PolarHBondContact OD1-N 2.72Å; D55-G57 VanDerWaalsContact OD1-N 3.09Å; G57-L59 VanDerWaalsContact C-N 3.31Å; G57-L59 PolarHBondContact O-N 3.42Å; G57-I60 PolarHBondContact O-N 3.09Å; G57-C61 PolarHBondContact O-N 3.29Å; G57-C61 VanDerWaalsContact O-N 3.1Å; G57-C61 PolarHBondContact O-SG 3.05Å |
| 58 | S | 82.5 | Confident | 76.1 | Confident | 32 Ų | 32 | 74.2 Ų | 74.2 | 22% | 0.224 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 176 | 79.8 | 0 | 0 | 0 | 0 | 112.7 | D55 C61 N62 | D55-S58 PolarHBondContact O-N 3.46Å; D55-S58 PolarHBondContact O-OG 3.1Å; S58-C61 PolarHBondContact O-N 3.41Å; S58-N62 VanDerWaalsContact O-CB 3.28Å; S58-N62 WeakPolarHBondContact O-CB 3.22Å; S58-N62 PolarHBondContact O-N 3.08Å; S58-N62 PolarHBondContact O-ND2 3.42Å; S58-N62 VanDerWaalsContact O-ND2 3.15Å |
| 59 | L | 81.5 | Confident | 74 | Confident | 85 Ų | 85 | 76.9 Ų | 76.9 | 45% | 0.445 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.1 | -79 | -177.6 | 0 | 0 | 0 | 111.6 | I54 D55 I56 G57 C61 N62 V63 | I54-L59 HydrophobicContact CG2-CD1 3.26Å; I54-L59 HydrophobicContact CG2-CD2 4.11Å; I54-L59 HydrophobicContact CG2-CG 3.52Å; D55-L59 PolarHBondContact O-N 3.43Å; D55-L59 VanDerWaalsContact O-N 3.08Å; I56-L59 WeakPolarHBondContact O-CB 3.06Å; I56-L59 PolarHBondContact O-N 3.45Å; G57-L59 VanDerWaalsContact C-N 3.31Å; G57-L59 PolarHBondContact O-N 3.42Å; L59-C61 VanDerWaalsContact C-N 3.31Å; L59-C61 PolarHBondContact O-N 3.21Å; L59-N62 CarbonylContact O-C 3.54Å; L59-N62 PolarHBondContact O-N 3.15Å; L59-V63 WeakPolarHBondContact O-CG2 3.28Å; L59-V63 PolarHBondContact O-N 2.74Å; L59-V63 VanDerWaalsContact O-N 3.09Å |
| 60 | I | 81.1 | Confident | 72.2 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 180 | -66.8 | 164.1 | 0 | 0 | 0 | 110.4 | L14 I56 G57 N62 | L14-I60 HydrophobicContact CD2-CD1 3.91Å; I56-I60 HydrophobicContact CG2-CD1 3.96Å; I56-I60 HydrophobicContact CG2-CG1 4.47Å; I56-I60 VanDerWaalsContact O-CG1 3.28Å; I56-I60 WeakPolarHBondContact O-CG1 3.17Å; I56-I60 PolarHBondContact O-N 3.35Å; G57-I60 PolarHBondContact O-N 3.09Å; I60-N62 VanDerWaalsContact C-N 3.29Å; I60-N62 PolarHBondContact O-N 3.25Å |
| 61 | C | 80.1 | Confident | 70.5 | Confident | 107 Ų | 107 | 78.9 Ų | 78.9 | 72% | 0.723 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.9 | -24.7 | 178.2 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | G57 S58 L59 | G57-C61 PolarHBondContact O-N 3.29Å; G57-C61 VanDerWaalsContact O-N 3.1Å; G57-C61 PolarHBondContact O-SG 3.05Å; S58-C61 PolarHBondContact O-N 3.41Å; L59-C61 VanDerWaalsContact C-N 3.31Å; L59-C61 PolarHBondContact O-N 3.21Å |
| 62 | N | 79.1 | Confident | 69.1 | Low | 89 Ų | 89 | 80.7 Ų | 80.7 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.1 | 14.9 | -174.7 | -66.2 | -32.6 | 0 | 0 | 0 | 113.8 | S58 L59 I60 G64 A65 | S58-N62 VanDerWaalsContact O-CB 3.28Å; S58-N62 WeakPolarHBondContact O-CB 3.22Å; S58-N62 PolarHBondContact O-N 3.08Å; S58-N62 PolarHBondContact O-ND2 3.42Å; S58-N62 VanDerWaalsContact O-ND2 3.15Å; L59-N62 CarbonylContact O-C 3.54Å; L59-N62 PolarHBondContact O-N 3.15Å; I60-N62 VanDerWaalsContact C-N 3.29Å; I60-N62 PolarHBondContact O-N 3.25Å; N62-G64 PolarHBondContact O-N 2.93Å; N62-A65 HydrophobicContact CB-CB 4.4Å; N62-A65 PolarHBondContact O-N 2.88Å |
| 63 | V | 67.6 | Low | 67.1 | Low | 129 Ų | 129 | 80.7 Ų | 80.7 | 78% | 0.782 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 105.7 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | L59 | L59-V63 WeakPolarHBondContact O-CG2 3.28Å; L59-V63 PolarHBondContact O-N 2.74Å; L59-V63 VanDerWaalsContact O-N 3.09Å |
| 64 | G | 61.8 | Low | 65.7 | Low | 81 Ų | 81 | 81.5 Ų | 81.5 | 84% | 0.835 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.3 | -14.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | N62 | N62-G64 PolarHBondContact O-N 2.93Š|
| 65 | A | 58.8 | Low | 63.9 | Low | 68 Ų | 68 | 83.6 Ų | 83.6 | 56% | 0.562 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -80.9 | 114.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | N62 G67 | N62-A65 HydrophobicContact CB-CB 4.4Å; N62-A65 PolarHBondContact O-N 2.88Å; A65-G67 PolarHBondContact O-N 3.08Å |
| 66 | G | 50.4 | Low | 61.9 | Low | 74 Ų | 74 | 83.8 Ų | 83.8 | 76% | 0.763 | 65% | 0.646 | S | S | * | * | trans | -46.6 | 138.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | G68 | G66-G68 PolarHBondContact O-N 3.41Å; G66-G68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | G | 57.2 | Low | 59.7 | Low | 93 Ų | 93 | 86.8 Ų | 86.8 | 96% | 0.959 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -38.1 | 111.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A65 | A65-G67 PolarHBondContact O-N 3.08Š|
| 68 | G | 54.8 | Low | 57.7 | Low | 67 Ų | 67 | 90.7 Ų | 90.7 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | trans | -174.2 | 94.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G66 | G66-G68 PolarHBondContact O-N 3.41Å; G66-G68 VanDerWaalsContact O-N 3.08Å | ||
| 69 | A | 44.8 | Very low | 55.4 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | 164.7 | 127.5 | 126 | 0 | 0 | 0 | 0 | 0 | 110.9 | A71 | A69-A71 PolarHBondContact O-N 3.39Š| |||
| 70 | P | 51 | Low | 53.8 | Low | 133 Ų | 133 | 95.6 Ų | 95.6 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -72.6 | 104.8 | 137.4 | 29.4 | -23.8 | 0 | 0 | 0 | 107.1 | G72 | P70-G72 PolarHBondContact O-N 2.95Š| ||
| 71 | A | 52.1 | Low | 51.5 | Low | 94 Ų | 94 | 96 Ų | 96 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | -74.7 | 83.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | A69 | A69-A71 PolarHBondContact O-N 3.39Š| ||
| 72 | G | 56.2 | Low | 49.1 | Very low | 70 Ų | 70 | 95 Ų | 95 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -96.5 | 125.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P70 | P70-G72 PolarHBondContact O-N 2.95Š| ||
| 73 | A | 41.8 | Very low | 46.8 | Very low | 96 Ų | 96 | 94.1 Ų | 94.1 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 102 | 133.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 74 | P | 51.3 | Low | 45.2 | Very low | 125 Ų | 125 | 96 Ų | 96 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -72.2 | 143.8 | -176.6 | 30.6 | -33.5 | 0 | 0 | 0 | 111.6 | A76 | P74-A76 PolarHBondContact O-N 3.17Š| ||
| 75 | A | 45 | Very low | 43.9 | Very low | 112 Ų | 112 | 96 Ų | 96 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | -61 | 112.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 76 | A | 39.6 | Very low | 43.1 | Very low | 99 Ų | 99 | 98.9 Ų | 98.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -110.6 | 120.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | P74 | P74-A76 PolarHBondContact O-N 3.17Š| ||
| 77 | G | 35.4 | Very low | 42.7 | Very low | 81 Ų | 81 | 100 Ų | 100 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 86.8 | 98.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 78 | A | 39.7 | Very low | 41.5 | Very low | 105 Ų | 105 | 103.5 Ų | 103.5 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -74.6 | 134.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 79 | A | 34.7 | Very low | 40.5 | Very low | 98 Ų | 98 | 108 Ų | 108 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 168.3 | 156.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 80 | P | 47.8 | Very low | 39.9 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -119.7 | 176.5 | -135.3 | 42.8 | -33.1 | 0 | 0 | 0 | 117.6 | ||||
| 81 | A | 33 | Very low | 39.2 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | 72.3 | 134.8 | 141 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 82 | G | 29.8 | Very low | 38.7 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | 106.3 | 125.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 83 | G | 30.3 | Very low | 37.9 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | 167.5 | 166.3 | 8.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 84 | D | 33.1 | Very low | 37.6 | Very low | 169 Ų | 169 | 131 Ų | 131 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | 81 | 106.7 | 171.2 | -98.6 | -117.5 | 0 | 0 | 0 | 120.1 | ||||
| 85 | A | 34.6 | Very low | 37 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | trans | -84.3 | 164.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 86 | P | 43 | Very low | 36.9 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | -142.8 | 158.4 | 79.1 | 32.2 | -13 | 0 | 0 | 0 | 115.6 | |||||
| 87 | A | 41.9 | Very low | 36.7 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -66.7 | 150.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 88 | K | 32.7 | Very low | 36.8 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -157.4 | 123.8 | 151.8 | -126.5 | 172 | 175.6 | -79.7 | 0 | 112.6 | ||||
| 89 | E | 32.7 | Very low | 36.6 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | 80.8 | 121.7 | 144.7 | -79.5 | 154.8 | -173.5 | 0 | 0 | 121.7 | ||||
| 90 | E | 33.2 | Very low | 36.9 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -69.7 | 175.1 | 170.9 | -66.5 | 172.5 | 123.8 | 0 | 0 | 113.3 | ||||
| 91 | E | 34.9 | Very low | 36.9 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | 85.3 | 97.5 | 158.5 | -61.4 | -166.7 | 147 | 0 | 0 | 118.9 | ||||
| 92 | K | 41.1 | Very low | 37.4 | Very low | 208 Ų | 208 | 159 Ų | 159 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | -170.1 | 117.3 | 102.6 | -106.4 | 176.9 | -179.9 | 179.5 | 0 | 112.6 | |||||
| 93 | K | 39.3 | Very low | 38.4 | Very low | 191 Ų | 191 | 160.8 Ų | 160.8 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -74.8 | 157.8 | 159.4 | -161.2 | 178.7 | -175.1 | -178.6 | 0 | 108 | ||||
| 94 | E | 36.6 | Very low | 39.7 | Very low | 180 Ų | 180 | 165 Ų | 165 | 84% | 0.841 | 84% | 0.836 | S | S | * | * | trans | 92.4 | 92.1 | 167.7 | -57.9 | -177.9 | 157.4 | 0 | 0 | 117.8 | ||||
| 95 | E | 39.1 | Very low | 40.8 | Very low | 204 Ų | 204 | 164 Ų | 164 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | trans | -154.3 | 90.4 | 131.3 | -112.8 | 172.2 | -167.8 | 0 | 0 | 108.4 | ||||
| 96 | K | 42.6 | Very low | 42 | Very low | 202 Ų | 202 | 167.7 Ų | 167.7 | 88% | 0.878 | 84% | 0.839 | S | S | * | * | trans | -116.2 | 112.4 | 165 | -179.7 | -175.8 | -176.3 | 179.9 | 0 | 105.9 | ||||
| 97 | K | 36 | Very low | 43.1 | Very low | 176 Ų | 176 | 170.7 Ų | 170.7 | 77% | 0.765 | 84% | 0.844 | S | S | * | * | trans | 141.6 | 129.4 | 166.8 | -93.1 | 179.8 | 161.6 | -149 | 0 | 107.3 | ||||
| 98 | E | 36.7 | Very low | 44.5 | Very low | 160 Ų | 160 | 169 Ų | 169 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | cis | -150.5 | 144 | 18 | -84 | 133.8 | -172.2 | 0 | 0 | 103.8 | ||||
| 99 | E | 36 | Very low | 46 | Very low | 185 Ų | 185 | 170.8 Ų | 170.8 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | 162.1 | 102.5 | 85.4 | -170.9 | 171.6 | -144.1 | 0 | 0 | 107.4 | |||||
| 100 | S | 40.1 | Very low | 47.6 | Very low | 123 Ų | 123 | 166.3 Ų | 166.3 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -179.1 | 61.8 | 152.7 | -88.1 | 0 | 0 | 0 | 0 | 108.5 | E102 | S100-E102 VanDerWaalsContact C-N 3.33Å; S100-E102 PolarHBondContact O-N 3.38Å | ||
| 101 | E | 47.9 | Very low | 49.4 | Very low | 202 Ų | 202 | 165.1 Ų | 165.1 | 94% | 0.944 | 84% | 0.841 | S | S | * | * | trans | -77.1 | 82.7 | 152.9 | -79.6 | 179.9 | 108 | 0 | 0 | 107.7 | ||||
| 102 | E | 43.6 | Very low | 50.9 | Low | 181 Ų | 181 | 166.8 Ų | 166.8 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | trans | -165.8 | 52.2 | 162 | -145 | 177.1 | 166.7 | 0 | 0 | 113.8 | S100 | S100-E102 VanDerWaalsContact C-N 3.33Å; S100-E102 PolarHBondContact O-N 3.38Å | ||
| 103 | S | 52 | Low | 51.7 | Low | 124 Ų | 124 | 167.6 Ų | 167.6 | 87% | 0.867 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -169.7 | 51.8 | 162 | -90.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 104 | D | 56.8 | Low | 52.3 | Low | 159 Ų | 159 | 166.5 Ų | 166.5 | 85% | 0.85 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -134.4 | 34.6 | 173.7 | -155.1 | 16.5 | 0 | 0 | 0 | 112.2 | ||
| 105 | D | 56.1 | Low | 53.1 | Low | 149 Ų | 149 | 165.7 Ų | 165.7 | 80% | 0.797 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -131.1 | 4 | 171.3 | -138.4 | -92.6 | 0 | 0 | 0 | 112.9 | ||
| 106 | D | 60.5 | Low | 53.9 | Low | 158 Ų | 158 | 163.6 Ų | 163.6 | 85% | 0.845 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -124.2 | 24.4 | -179.2 | -153.6 | 29.6 | 0 | 0 | 0 | 113.4 | ||
| 107 | M | 66.4 | Low | 54.6 | Low | 191 Ų | 191 | 161.4 Ų | 161.4 | 94% | 0.941 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -138.6 | 35.3 | 168.3 | -81.9 | -167.5 | 178.8 | 0 | 0 | 111.9 | ||
| 108 | G | 69.9 | Low | 55.7 | Low | 62 Ų | 62 | 160.4 Ų | 160.4 | 64% | 0.639 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -172.6 | 4.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||
| 109 | F | 64.6 | Low | 57 | Low | 204 Ų | 204 | 160.5 Ų | 160.5 | 90% | 0.895 | 87% | 0.869 | S | S | * | * | S | Bend | trans | -141.4 | 31 | 178 | -134.1 | -94.1 | 0 | 0 | 0 | 115.5 | ||
| 110 | G | 66.9 | Low | 58.5 | Low | 69 Ų | 69 | 158.7 Ų | 158.7 | 71% | 0.711 | 87% | 0.87 | S | S | * | * | S | Bend | trans | -135.8 | 9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F112 | G110-F112 VanDerWaalsContact C-N 3.32Š|
| 111 | L | 69.4 | Low | 59.9 | Low | 158 Ų | 158 | 161.5 Ų | 161.5 | 83% | 0.827 | 87% | 0.871 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 19.2 | -178.5 | -166.5 | 55.8 | 0 | 0 | 0 | 113.1 | ||
| 112 | F | 67.6 | Low | 60.9 | Low | 217 Ų | 217 | 158.1 Ų | 158.1 | 95% | 0.952 | 86% | 0.864 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 43.2 | 169.8 | -72.6 | -76.6 | 0 | 0 | 0 | 111.1 | G110 | G110-F112 VanDerWaalsContact C-N 3.32Š|
| 113 | D | 57.1 | Low | 62.5 | Low | 225 Ų | 225 | 156 Ų | 156 | 100% | 1.203 | 87% | 0.866 | S | S | * | * | trans | -113 | 0 | 148 | -163.2 | 65.2 | 0 | 0 | 0 | 109 |
Retrieved 113 of 113 residues in 128.2 ms
(Link to these results)