| 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 | 59.1 | Low | 80.2 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 44% | 0.438 | 35% | 0.351 | S | S | . | . | 0 | -49.5 | 0 | -100.6 | -74 | 133.7 | 0 | 0 | 112.5 | I3 P62 L65 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.14Å; M1-P62 HydrophobicContact CE-CB 4.01Å; M1-P62 HydrophobicContact CE-CG 3.02Å; M1-P62 HydrophobicContact CG-CB 3.86Å; M1-P62 HydrophobicContact CG-CG 3.87Å; M1-P62 HydrophobicContact SD-CB 3.56Å; M1-P62 VanDerWaalsContact SD-CB 3.56Å; M1-P62 HydrophobicContact SD-CG 3.26Å; M1-P62 WeakPolarHBondContact SD-CG 3.23Å; M1-L65 HydrophobicContact CE-CB 4.32Å; M1-L65 HydrophobicContact CE-CD2 4.39Å; M1-L65 HydrophobicContact SD-CB 4.18Å | |||
| 2 | S | 69.8 | Low | 80.7 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54.8 | -44.8 | 173.3 | 49 | 0 | 0 | 0 | 0 | 112.9 | L4 I5 D6 | S2-L4 PolarHBondContact O-N 3.11Å; S2-I5 PolarHBondContact O-N 3.27Å; S2-I5 VanDerWaalsContact O-N 3.11Å; S2-D6 WeakPolarHBondContact O-CB 3.49Å; S2-D6 VanDerWaalsContact O-CG 3.24Å; S2-D6 PolarHBondContact O-N 2.89Å |
| 3 | I | 79 | Confident | 81.2 | Confident | 121 Ų | 121 | 62 Ų | 62 | 62% | 0.621 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -54.1 | -44.4 | -175.4 | -165.7 | 63.6 | 0 | 0 | 0 | 113.9 | M1 I5 D6 T7 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.14Å; I3-I5 PolarHBondContact O-N 3.14Å; I3-D6 PolarHBondContact O-N 3.29Å; I3-T7 WeakPolarHBondContact O-CB 3.38Å; I3-T7 PolarHBondContact O-N 3.49Å; I3-T7 PolarHBondContact O-OG1 3.21Å |
| 4 | L | 78.7 | Confident | 81.8 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 9% | 0.089 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | -178.5 | -173.5 | 159.1 | 0 | 0 | 0 | 111.4 | S2 D6 L8 L29 M35 L65 | S2-L4 PolarHBondContact O-N 3.11Å; L4-D6 VanDerWaalsContact C-N 3.34Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.22Å; L4-L29 HydrophobicContact CD2-CD2 4.37Å; L4-M35 HydrophobicContact CD1-CB 4.05Å; L4-M35 HydrophobicContact CD1-CE 3.3Å; L4-M35 HydrophobicContact CD1-CG 4.49Å; L4-M35 HydrophobicContact CD1-SD 4.13Å; L4-M35 HydrophobicContact CG-CE 4.04Å; L4-L65 HydrophobicContact CD2-CD1 3.87Å |
| 5 | I | 82.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 178 | -63.2 | 170.8 | 0 | 0 | 0 | 109.7 | S2 I3 L8 K9 G64 A68 | S2-I5 PolarHBondContact O-N 3.27Å; S2-I5 VanDerWaalsContact O-N 3.11Å; I3-I5 PolarHBondContact O-N 3.14Å; I5-L8 PolarHBondContact O-N 2.9Å; I5-K9 HydrophobicContact CG2-CD 4.23Å; I5-K9 HydrophobicContact CG2-CG 4.47Å; I5-K9 WeakPolarHBondContact O-CG 3.47Å; I5-K9 PolarHBondContact O-N 2.92Å; I5-G64 VanDerWaalsContact CD1-C 3.45Å; I5-G64 WeakPolarHBondContact CD1-O 3.44Å; I5-A68 HydrophobicContact CD1-CB 4.34Å; I5-A68 HydrophobicContact CG1-CB 4.2Å; I5-A68 HydrophobicContact CG2-CB 4.25Å |
| 6 | D | 84 | Confident | 82.3 | Confident | 76 Ų | 76 | 69.4 Ų | 69.4 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.4 | -39.3 | -179.2 | -64.5 | -27.5 | 0 | 0 | 0 | 111.5 | S2 I3 L4 K9 S10 | S2-D6 WeakPolarHBondContact O-CB 3.49Å; S2-D6 VanDerWaalsContact O-CG 3.24Å; S2-D6 PolarHBondContact O-N 2.89Å; I3-D6 PolarHBondContact O-N 3.29Å; L4-D6 VanDerWaalsContact C-N 3.34Å; D6-K9 PolarHBondContact O-N 2.91Å; D6-K9 IonicContact OD1-NZ 2.99Å; D6-K9 PolarHBondContact OD1-NZ 3.44Å; D6-S10 WeakPolarHBondContact O-CB 3.42Å; D6-S10 PolarHBondContact O-N 3.06Å; D6-S10 PolarHBondContact O-OG 3.17Å |
| 7 | T | 84.4 | Confident | 82.5 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 168 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | I3 K9 S10 E11 | I3-T7 WeakPolarHBondContact O-CB 3.38Å; I3-T7 PolarHBondContact O-N 3.49Å; I3-T7 PolarHBondContact O-OG1 3.21Å; T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 3.23Å; T7-S10 WeakPolarHBondContact CA-OG 3.44Å; T7-S10 PolarHBondContact O-N 3.49Å; T7-S10 PolarHBondContact O-OG 3.18Å; T7-E11 HydrophobicContact CG2-CG 4.2Å; T7-E11 WeakPolarHBondContact O-CB 3.45Å; T7-E11 VanDerWaalsContact O-CG 3.26Å; T7-E11 WeakPolarHBondContact O-CG 3.32Å; T7-E11 PolarHBondContact O-N 3.28Å |
| 8 | L | 84 | Confident | 82.7 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 178.2 | 179.3 | 59.9 | 0 | 0 | 0 | 112.3 | L4 I5 L12 L29 I72 L77 | L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 2.9Å; L8-L12 HydrophobicContact CD1-CD1 4.14Å; L8-L12 HydrophobicContact CD1-CG 4.26Å; L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.09Å; L8-L12 PolarHBondContact O-N 3.01Å; L8-L29 HydrophobicContact CD1-CD1 4.45Å; L8-L29 HydrophobicContact CD1-CD2 4.07Å; L8-L29 HydrophobicContact CD2-CD2 4.08Å; L8-I72 HydrophobicContact CD2-CD1 3.59Å; L8-L77 HydrophobicContact CD2-CD2 4.01Å; L8-L77 HydrophobicContact CG-CD2 4.1Å |
| 9 | K | 86.4 | Confident | 82.6 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 30% | 0.296 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 176.5 | -69.4 | 172 | -177.7 | 160.7 | 0 | 111.6 | I5 D6 T7 L12 L13 S78 | I5-K9 HydrophobicContact CG2-CD 4.23Å; I5-K9 HydrophobicContact CG2-CG 4.47Å; I5-K9 WeakPolarHBondContact O-CG 3.47Å; I5-K9 PolarHBondContact O-N 2.92Å; D6-K9 PolarHBondContact O-N 2.91Å; D6-K9 IonicContact OD1-NZ 2.99Å; D6-K9 PolarHBondContact OD1-NZ 3.44Å; T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 3.23Å; K9-L12 PolarHBondContact O-N 3.43Å; K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.46Å; K9-L13 PolarHBondContact O-N 3.06Å; K9-S78 WeakPolarHBondContact CD-OG 3.2Å; K9-S78 VanDerWaalsContact CG-OG 3.23Å; K9-S78 WeakPolarHBondContact CG-OG 3.4Å |
| 10 | S | 87.5 | Confident | 82.3 | Confident | 61 Ų | 61 | 76.4 Ų | 76.4 | 43% | 0.427 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 179.2 | 64 | 0 | 0 | 0 | 0 | 111.2 | D6 T7 L13 Y14 | D6-S10 WeakPolarHBondContact O-CB 3.42Å; D6-S10 PolarHBondContact O-N 3.06Å; D6-S10 PolarHBondContact O-OG 3.17Å; T7-S10 WeakPolarHBondContact CA-OG 3.44Å; T7-S10 PolarHBondContact O-N 3.49Å; T7-S10 PolarHBondContact O-OG 3.18Å; S10-L13 PolarHBondContact O-N 3.1Å; S10-Y14 WeakPolarHBondContact O-CB 3.46Å; S10-Y14 PolarHBondContact O-N 3.46Å |
| 11 | E | 86.6 | Confident | 81.7 | Confident | 93 Ų | 93 | 76.3 Ų | 76.3 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62 | -45 | 176.1 | -68.5 | -52.3 | 136.4 | 0 | 0 | 111.7 | T7 L13 Y14 V15 | T7-E11 HydrophobicContact CG2-CG 4.2Å; T7-E11 WeakPolarHBondContact O-CB 3.45Å; T7-E11 VanDerWaalsContact O-CG 3.26Å; T7-E11 WeakPolarHBondContact O-CG 3.32Å; T7-E11 PolarHBondContact O-N 3.28Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.01Å; E11-Y14 PolarHBondContact O-N 3.25Å; E11-V15 WeakPolarHBondContact O-CB 3.32Å; E11-V15 VanDerWaalsContact O-CG2 3.29Å; E11-V15 WeakPolarHBondContact O-CG2 3.46Å; E11-V15 PolarHBondContact O-N 3.08Å |
| 12 | L | 87.1 | Confident | 82 | Confident | 19 Ų | 19 | 75.1 Ų | 75.1 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 177.9 | -73.2 | 174.7 | 0 | 0 | 0 | 113.2 | L8 K9 K16 V27 L77 T80 T82 | L8-L12 HydrophobicContact CD1-CD1 4.14Å; L8-L12 HydrophobicContact CD1-CG 4.26Å; L8-L12 HydrophobicContact CG-CD1 4.19Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 VanDerWaalsContact O-CG 3.26Å; L8-L12 WeakPolarHBondContact O-CG 3.09Å; L8-L12 PolarHBondContact O-N 3.01Å; K9-L12 PolarHBondContact O-N 3.43Å; L12-K16 VanDerWaalsContact O-CB 3.32Å; L12-K16 WeakPolarHBondContact O-CB 3.1Å; L12-K16 PolarHBondContact O-N 2.78Å; L12-V27 HydrophobicContact CD2-CB 4.36Å; L12-V27 HydrophobicContact CD2-CG1 4.49Å; L12-V27 HydrophobicContact CD2-CG2 4.13Å; L12-L77 HydrophobicContact CD1-CB 4.24Å; L12-L77 HydrophobicContact CD1-CD2 3.49Å; L12-L77 VanDerWaalsContact CD1-CD2 3.49Å; L12-L77 HydrophobicContact CD1-CG 4.23Å; L12-T80 PolarHBondContact O-OG1 3.48Å; L12-T82 HydrophobicContact CD1-CG2 4.16Å |
| 13 | L | 87.3 | Confident | 81.9 | Confident | 81 Ų | 81 | 74 Ų | 74 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 174.6 | -78.7 | 172.5 | 0 | 0 | 0 | 111.4 | K9 S10 E11 K16 A17 S78 | K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.46Å; K9-L13 PolarHBondContact O-N 3.06Å; S10-L13 PolarHBondContact O-N 3.1Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.01Å; L13-K16 PolarHBondContact O-N 3.03Å; L13-A17 WeakPolarHBondContact O-CB 3.09Å; L13-A17 PolarHBondContact O-N 2.95Å; L13-S78 WeakPolarHBondContact CD2-O 3.41Å |
| 14 | Y | 88.8 | Confident | 81.6 | Confident | 151 Ų | 151 | 76.7 Ų | 76.7 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.9 | -51.8 | 174.6 | 177.1 | -101.1 | 0 | 0 | 0 | 110.6 | S10 E11 K16 A17 S18 | S10-Y14 WeakPolarHBondContact O-CB 3.46Å; S10-Y14 PolarHBondContact O-N 3.46Å; E11-Y14 PolarHBondContact O-N 3.25Å; Y14-K16 VanDerWaalsContact C-N 3.32Å; Y14-K16 PolarHBondContact O-N 2.69Å; Y14-A17 PolarHBondContact O-N 3.19Å; Y14-A17 VanDerWaalsContact O-N 3.1Å; Y14-S18 WeakPolarHBondContact CE2-OG 2.92Å; Y14-S18 WeakPolarHBondContact O-CB 3.31Å; Y14-S18 PolarHBondContact O-N 3.02Å; Y14-S18 PolarHBondContact O-OG 2.83Å |
| 15 | V | 87.2 | Confident | 81.6 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 19% | 0.188 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | E11 A17 W19 P25 V27 | E11-V15 WeakPolarHBondContact O-CB 3.32Å; E11-V15 VanDerWaalsContact O-CG2 3.29Å; E11-V15 WeakPolarHBondContact O-CG2 3.46Å; E11-V15 PolarHBondContact O-N 3.08Å; V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 3.18Å; V15-W19 HydrophobicContact CG1-CB 4.42Å; V15-W19 WeakPolarHBondContact O-CB 3.35Å; V15-W19 PolarHBondContact O-N 3.35Å; V15-P25 HydrophobicContact CG1-CB 3.57Å; V15-P25 HydrophobicContact CG1-CG 3.23Å; V15-V27 HydrophobicContact CG1-CG2 4.37Å; V15-V27 HydrophobicContact CG2-CG2 4.16Å |
| 16 | K | 84.4 | Confident | 81.5 | Confident | 123 Ų | 123 | 81.7 Ų | 81.7 | 54% | 0.535 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 176.6 | 178 | -177.2 | 170.1 | -171.4 | 0 | 112.5 | L12 L13 Y14 G79 T80 | L12-K16 VanDerWaalsContact O-CB 3.32Å; L12-K16 WeakPolarHBondContact O-CB 3.1Å; L12-K16 PolarHBondContact O-N 2.78Å; L13-K16 PolarHBondContact O-N 3.03Å; Y14-K16 VanDerWaalsContact C-N 3.32Å; Y14-K16 PolarHBondContact O-N 2.69Å; K16-G79 PolarHBondContact NZ-O 3.24Å; K16-T80 HydrophobicContact CB-CG2 4.23Å; K16-T80 HydrophobicContact CD-CG2 4.42Å; K16-T80 VanDerWaalsContact CD-OG1 3.32Å; K16-T80 WeakPolarHBondContact CD-OG1 3.28Å |
| 17 | A | 86 | Confident | 81.4 | Confident | 88 Ų | 88 | 81 Ų | 81 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -79.2 | -36.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L13 Y14 V15 | L13-A17 WeakPolarHBondContact O-CB 3.09Å; L13-A17 PolarHBondContact O-N 2.95Å; Y14-A17 PolarHBondContact O-N 3.19Å; Y14-A17 VanDerWaalsContact O-N 3.1Å; V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 3.18Å |
| 18 | S | 86.1 | Confident | 81.3 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 43% | 0.427 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -94.4 | -19.6 | -172.5 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | Y14 N20 | Y14-S18 WeakPolarHBondContact CE2-OG 2.92Å; Y14-S18 WeakPolarHBondContact O-CB 3.31Å; Y14-S18 PolarHBondContact O-N 3.02Å; Y14-S18 PolarHBondContact O-OG 2.83Å; S18-N20 PolarHBondContact O-N 2.86Å; S18-N20 VanDerWaalsContact O-N 3.14Å |
| 19 | W | 81.1 | Confident | 81 | Confident | 123 Ų | 123 | 85.6 Ų | 85.6 | 47% | 0.466 | 46% | 0.462 | S | S | . | . | trans | -79.4 | 99.7 | -175.1 | -166.8 | -86.7 | 0 | 0 | 0 | 112.2 | V15 V21 P25 | V15-W19 HydrophobicContact CG1-CB 4.42Å; V15-W19 WeakPolarHBondContact O-CB 3.35Å; V15-W19 PolarHBondContact O-N 3.35Å; W19-V21 HydrophobicContact CZ2-CB 4.22Å; W19-V21 PolarHBondContact NE1-O 3.24Å; W19-P25 HydrophobicContact CB-CG 4.47Å; W19-P25 HydrophobicContact CD2-CB 3.76Å; W19-P25 HydrophobicContact CD2-CG 3.95Å; W19-P25 HydrophobicContact CE3-CB 3.79Å; W19-P25 HydrophobicContact CE3-CG 4.37Å; W19-P25 HydrophobicContact CG-CB 4.33Å; W19-P25 HydrophobicContact CG-CG 3.98Å; W19-P25 HydrophobicContact CH2-CB 4.24Å; W19-P25 HydrophobicContact CZ2-CB 4.22Å; W19-P25 HydrophobicContact CZ3-CB 4.03Å | ||
| 20 | N | 76 | Confident | 80.6 | Confident | 144 Ų | 144 | 89.2 Ų | 89.2 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | trans | -100.1 | 1.1 | 177.9 | 64.2 | -12.3 | 0 | 0 | 0 | 114.1 | S18 | S18-N20 PolarHBondContact O-N 2.86Å; S18-N20 VanDerWaalsContact O-N 3.14Å | ||
| 21 | V | 70.9 | Confident | 80.2 | Confident | 75 Ų | 75 | 89.4 Ų | 89.4 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -91.5 | 144.6 | -175.8 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | W19 G23 | W19-V21 HydrophobicContact CZ2-CB 4.22Å; W19-V21 PolarHBondContact NE1-O 3.24Å; V21-G23 PolarHBondContact O-N 2.97Å |
| 22 | P | 63.9 | Low | 79.7 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -55.6 | 127.3 | 169.8 | 19.1 | -30.5 | 0 | 0 | 0 | 111.5 | M393 T397 | P22-M393 HydrophobicContact CB-CE 4.16Å; P22-T397 HydrophobicContact CB-CG2 3.83Å; P22-T397 HydrophobicContact CG-CG2 4.26Å |
| 23 | G | 68.4 | Low | 79.1 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 143 | -177.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V21 | V21-G23 PolarHBondContact O-N 2.97Š|
| 24 | R | 73.6 | Confident | 78.5 | Confident | 178 Ų | 178 | 89.9 Ų | 89.9 | 67% | 0.672 | 51% | 0.509 | S | S | * | . | trans | -113.6 | 114.2 | 167.6 | -64.8 | 178.2 | -174.3 | -124.2 | 8.2 | 106.4 | L26 | R24-L26 PolarHBondContact O-N 3.43Š| ||
| 25 | P | 78.7 | Confident | 77.5 | Confident | 50 Ų | 50 | 86.7 Ų | 86.7 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | trans | -61.4 | 129.9 | 179.3 | 21.8 | -29.5 | 0 | 0 | 0 | 109.6 | V15 W19 V27 | V15-P25 HydrophobicContact CG1-CB 3.57Å; V15-P25 HydrophobicContact CG1-CG 3.23Å; W19-P25 HydrophobicContact CB-CG 4.47Å; W19-P25 HydrophobicContact CD2-CB 3.76Å; W19-P25 HydrophobicContact CD2-CG 3.95Å; W19-P25 HydrophobicContact CE3-CB 3.79Å; W19-P25 HydrophobicContact CE3-CG 4.37Å; W19-P25 HydrophobicContact CG-CB 4.33Å; W19-P25 HydrophobicContact CG-CG 3.98Å; W19-P25 HydrophobicContact CH2-CB 4.24Å; W19-P25 HydrophobicContact CZ2-CB 4.22Å; W19-P25 HydrophobicContact CZ3-CB 4.03Å; P25-V27 PolarHBondContact O-N 3.27Å | ||
| 26 | L | 79.7 | Confident | 76.7 | Confident | 94 Ų | 94 | 88.4 Ų | 88.4 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | trans | -86.2 | 109.4 | 172.6 | -178.4 | 69.2 | 0 | 0 | 0 | 108.2 | R24 V28 F90 | R24-L26 PolarHBondContact O-N 3.43Å; L26-V28 HydrophobicContact CD2-CG2 4.17Å; L26-V28 HydrophobicContact CG-CG2 4.12Å; L26-F90 HydrophobicContact CD1-CB 4.07Å; L26-F90 HydrophobicContact CD1-CD2 3.69Å; L26-F90 HydrophobicContact CD1-CE2 4.24Å; L26-F90 HydrophobicContact CD1-CG 3.83Å | ||
| 27 | V | 81.7 | Confident | 75.7 | Confident | 62 Ų | 62 | 85 Ų | 85 | 38% | 0.376 | 50% | 0.497 | S | S | . | . | trans | -95.2 | 117.2 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | L12 V15 P25 | L12-V27 HydrophobicContact CD2-CB 4.36Å; L12-V27 HydrophobicContact CD2-CG1 4.49Å; L12-V27 HydrophobicContact CD2-CG2 4.13Å; V15-V27 HydrophobicContact CG1-CG2 4.37Å; V15-V27 HydrophobicContact CG2-CG2 4.16Å; P25-V27 PolarHBondContact O-N 3.27Å | ||
| 28 | V | 81.5 | Confident | 74.2 | Confident | 100 Ų | 100 | 82.1 Ų | 82.1 | 61% | 0.606 | 48% | 0.476 | S | S | * | . | trans | -100.8 | 113.8 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | L26 L30 | L26-V28 HydrophobicContact CD2-CG2 4.17Å; L26-V28 HydrophobicContact CG-CG2 4.12Å; V28-L30 HydrophobicContact CG1-CD2 4.48Å | ||
| 29 | L | 77.8 | Confident | 72.5 | Confident | 72 Ų | 72 | 87.8 Ų | 87.8 | 38% | 0.377 | 50% | 0.498 | S | S | . | . | trans | -99.8 | 117.2 | 173.8 | -175.9 | 72.8 | 0 | 0 | 0 | 109.4 | L4 L8 I31 | L4-L29 HydrophobicContact CD2-CD2 4.37Å; L8-L29 HydrophobicContact CD1-CD1 4.45Å; L8-L29 HydrophobicContact CD1-CD2 4.07Å; L8-L29 HydrophobicContact CD2-CD2 4.08Å; L29-I31 HydrophobicContact CD2-CD1 4.1Å; L29-I31 HydrophobicContact CD2-CG1 3.95Å; L29-I31 HydrophobicContact CG-CG1 4.12Å | ||
| 30 | L | 79.1 | Confident | 70.9 | Confident | 144 Ų | 144 | 85.1 Ų | 85.1 | 75% | 0.754 | 50% | 0.497 | S | S | * | . | trans | -82.3 | 118.1 | 172.1 | -63.1 | 176 | 0 | 0 | 0 | 109.3 | V28 | V28-L30 HydrophobicContact CG1-CD2 4.48Š| ||
| 31 | I | 78 | Confident | 69.6 | Low | 66 Ų | 66 | 83.8 Ų | 83.8 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | trans | -109.8 | 105.4 | 175.3 | -53.4 | 177.3 | 0 | 0 | 0 | 107.6 | L29 I36 | L29-I31 HydrophobicContact CD2-CD1 4.1Å; L29-I31 HydrophobicContact CD2-CG1 3.95Å; L29-I31 HydrophobicContact CG-CG1 4.12Å; I31-I36 HydrophobicContact CG2-CD1 3.8Å; I31-I36 HydrophobicContact CG2-CG1 3.75Å | ||
| 32 | S | 77.1 | Confident | 68.5 | Low | 70 Ų | 70 | 89 Ų | 89 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | trans | -80.2 | 152 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 111 | G34 M35 I36 | S32-G34 PolarHBondContact O-N 3.04Å; S32-G34 PolarHBondContact OG-N 3.44Å; S32-M35 PolarHBondContact N-SD 3.24Å; S32-M35 WeakPolarHBondContact O-CA 3.08Å; S32-M35 VanDerWaalsContact O-CB 3.32Å; S32-M35 WeakPolarHBondContact O-CB 3.21Å; S32-M35 PolarHBondContact O-N 3.18Å; S32-I36 PolarHBondContact O-N 3.28Å | ||
| 33 | S | 75 | Confident | 67.7 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -55.4 | -33.9 | 172.8 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | M35 I36 T37 | S33-M35 PolarHBondContact O-N 3.04Å; S33-I36 PolarHBondContact O-N 3.33Å; S33-T37 WeakPolarHBondContact O-CB 3.4Å; S33-T37 PolarHBondContact O-N 3.26Å; S33-T37 PolarHBondContact O-OG1 3.34Å |
| 34 | G | 72.9 | Confident | 66.9 | Low | 45 Ų | 45 | 97.2 Ų | 97.2 | 46% | 0.464 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -26.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | S32 I36 G38 | S32-G34 PolarHBondContact O-N 3.04Å; S32-G34 PolarHBondContact OG-N 3.44Å; G34-I36 VanDerWaalsContact C-N 3.35Å; G34-G38 WeakPolarHBondContact O-CA 3.3Å; G34-G38 PolarHBondContact O-N 3.15Å |
| 35 | M | 68.1 | Low | 65.9 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 41% | 0.409 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -80.5 | -19.6 | 175.2 | -55.9 | 172.5 | 95.2 | 0 | 0 | 112.4 | L4 S32 S33 | L4-M35 HydrophobicContact CD1-CB 4.05Å; L4-M35 HydrophobicContact CD1-CE 3.3Å; L4-M35 HydrophobicContact CD1-CG 4.49Å; L4-M35 HydrophobicContact CD1-SD 4.13Å; L4-M35 HydrophobicContact CG-CE 4.04Å; S32-M35 PolarHBondContact N-SD 3.24Å; S32-M35 WeakPolarHBondContact O-CA 3.08Å; S32-M35 VanDerWaalsContact O-CB 3.32Å; S32-M35 WeakPolarHBondContact O-CB 3.21Å; S32-M35 PolarHBondContact O-N 3.18Å; S33-M35 PolarHBondContact O-N 3.04Å |
| 36 | I | 70.5 | Confident | 64.8 | Low | 68 Ų | 68 | 96.9 Ų | 96.9 | 35% | 0.349 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -94.3 | -47.7 | 179.9 | -56.8 | 173.3 | 0 | 0 | 0 | 110.3 | I31 S32 S33 G34 A61 | I31-I36 HydrophobicContact CG2-CD1 3.8Å; I31-I36 HydrophobicContact CG2-CG1 3.75Å; S32-I36 PolarHBondContact O-N 3.28Å; S33-I36 PolarHBondContact O-N 3.33Å; G34-I36 VanDerWaalsContact C-N 3.35Å; I36-A61 HydrophobicContact CG2-CB 4.18Å |
| 37 | T | 63.1 | Low | 63.4 | Low | 51 Ų | 51 | 95.1 Ų | 95.1 | 31% | 0.313 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -94.4 | -21.3 | -173.9 | -49.5 | 0 | 0 | 0 | 0 | 113 | S33 M39 C40 E59 | S33-T37 WeakPolarHBondContact O-CB 3.4Å; S33-T37 PolarHBondContact O-N 3.26Å; S33-T37 PolarHBondContact O-OG1 3.34Å; T37-M39 VanDerWaalsContact C-N 3.26Å; T37-M39 PolarHBondContact O-N 3.14Å; T37-C40 PolarHBondContact O-N 3.02Å; T37-E59 HydrophobicContact CG2-CG 4.1Å; T37-E59 WeakPolarHBondContact CG2-OE1 3.44Å; T37-E59 PolarHBondContact OG1-OE1 3.11Å |
| 38 | G | 54.6 | Low | 62 | Low | 27 Ų | 27 | 103.1 Ų | 103.1 | 28% | 0.278 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 5.7 | -156.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | G34 | G34-G38 WeakPolarHBondContact O-CA 3.3Å; G34-G38 PolarHBondContact O-N 3.15Å |
| 39 | M | 51 | Low | 60.8 | Low | 181 Ų | 181 | 100.8 Ų | 100.8 | 89% | 0.892 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.4 | 11.2 | 174.5 | -61.5 | -173.6 | 79.6 | 0 | 0 | 114.9 | T37 S41 | T37-M39 VanDerWaalsContact C-N 3.26Å; T37-M39 PolarHBondContact O-N 3.14Å; M39-S41 PolarHBondContact O-N 3.07Å; M39-S41 VanDerWaalsContact O-N 3.07Å |
| 40 | C | 48.2 | Very low | 59.6 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -63.6 | 113.2 | 160 | -70.9 | 0 | 0 | 0 | 0 | 107.1 | T37 R42 | T37-C40 PolarHBondContact O-N 3.02Å; C40-R42 PolarHBondContact O-N 3.35Å |
| 41 | S | 47.1 | Very low | 58.5 | Low | 116 Ų | 116 | 101.3 Ų | 101.3 | 81% | 0.811 | 55% | 0.545 | S | S | * | . | trans | -22.4 | 102.5 | -173.2 | -85.3 | 0 | 0 | 0 | 0 | 114.2 | M39 K43 | M39-S41 PolarHBondContact O-N 3.07Å; M39-S41 VanDerWaalsContact O-N 3.07Å; S41-K43 VanDerWaalsContact C-N 3.27Å; S41-K43 PolarHBondContact O-N 2.89Å | ||
| 42 | R | 49 | Very low | 57.6 | Low | 185 Ų | 185 | 101.3 Ų | 101.3 | 70% | 0.698 | 55% | 0.548 | S | S | * | . | trans | -65.2 | 87.9 | 167.8 | -75.1 | 179.8 | -179.8 | 158.8 | -2.4 | 108.8 | C40 K44 | C40-R42 PolarHBondContact O-N 3.35Å; R42-K44 VanDerWaalsContact C-N 3.31Å; R42-K44 HydrophobicContact CB-CG 4.27Å; R42-K44 PolarHBondContact O-N 2.79Å | ||
| 43 | K | 46.6 | Very low | 56.6 | Low | 172 Ų | 172 | 102.7 Ų | 102.7 | 75% | 0.748 | 56% | 0.556 | S | S | * | * | trans | -71.3 | 98.7 | 146.9 | -76.1 | -172.7 | 178 | 180 | 0 | 105.7 | S41 A54 | S41-K43 VanDerWaalsContact C-N 3.27Å; S41-K43 PolarHBondContact O-N 2.89Å; K43-A54 WeakPolarHBondContact O-CB 3.41Å; K43-A54 PolarHBondContact O-N 3.19Å | ||
| 44 | K | 51.8 | Low | 55.5 | Low | 123 Ų | 123 | 100.8 Ų | 100.8 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.3 | 168.7 | -61.1 | -174.1 | -179.9 | 179.4 | 0 | 107.2 | R42 L51 | R42-K44 VanDerWaalsContact C-N 3.31Å; R42-K44 HydrophobicContact CB-CG 4.27Å; R42-K44 PolarHBondContact O-N 2.79Å; K44-L51 HydrophobicContact CB-CD2 3.46Å; K44-L51 VanDerWaalsContact CB-CD2 3.46Å; K44-L51 HydrophobicContact CD-CB 4.33Å; K44-L51 HydrophobicContact CD-CD2 3.71Å; K44-L51 HydrophobicContact CD-CG 4.47Å; K44-L51 HydrophobicContact CG-CD2 4.24Å |
| 45 | V | 53.5 | Low | 54.4 | Low | 71 Ų | 71 | 105 Ų | 105 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.6 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | T47 V52 A54 | V45-T47 HydrophobicContact CG1-CG2 4.04Å; V45-T47 PolarHBondContact O-N 3.41Å; V45-V52 PolarHBondContact N-O 3.36Å; V45-V52 PolarHBondContact O-N 3.29Å; V45-V52 VanDerWaalsContact O-N 3.11Å; V45-A54 HydrophobicContact CG2-CB 4.26Å |
| 46 | F | 54.1 | Low | 53.5 | Low | 149 Ų | 149 | 104.9 Ų | 104.9 | 65% | 0.654 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 106.9 | 174.1 | -160 | -96 | 0 | 0 | 0 | 108 | L51 | F46-L51 HydrophobicContact CD2-CG 4.19Å |
| 47 | T | 50 | Low | 52.7 | Low | 57 Ų | 57 | 111.6 Ų | 111.6 | 35% | 0.35 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.2 | 131.2 | 179.2 | 26.7 | 0 | 0 | 0 | 0 | 108.4 | V45 G49 L50 | V45-T47 HydrophobicContact CG1-CG2 4.04Å; V45-T47 PolarHBondContact O-N 3.41Å; T47-G49 VanDerWaalsContact C-N 3.28Å; T47-G49 PolarHBondContact O-N 2.78Å; T47-L50 PolarHBondContact N-O 3Å; T47-L50 PolarHBondContact O-N 2.99Å; T47-L50 VanDerWaalsContact O-N 3.14Å |
| 48 | Y | 53.5 | Low | 52 | Low | 230 Ų | 230 | 115 Ų | 115 | 90% | 0.902 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.5 | 38.9 | 179.1 | -49.9 | -75.7 | 0 | 0 | 0 | 114.2 | L50 | Y48-L50 PolarHBondContact O-N 3.22Å; Y48-L50 VanDerWaalsContact O-N 3.14Å |
| 49 | G | 55.4 | Low | 51.9 | Low | 52 Ų | 52 | 120.3 Ų | 120.3 | 54% | 0.536 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.4 | 3.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T47 | T47-G49 VanDerWaalsContact C-N 3.28Å; T47-G49 PolarHBondContact O-N 2.78Å |
| 50 | L | 53.3 | Low | 52.2 | Low | 124 Ų | 124 | 119.1 Ų | 119.1 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 142 | 177.3 | -116.5 | 85.5 | 0 | 0 | 0 | 111.5 | T47 Y48 V52 | T47-L50 PolarHBondContact N-O 3Å; T47-L50 PolarHBondContact O-N 2.99Å; T47-L50 VanDerWaalsContact O-N 3.14Å; Y48-L50 PolarHBondContact O-N 3.22Å; Y48-L50 VanDerWaalsContact O-N 3.14Å; L50-V52 HydrophobicContact CB-CG2 4.29Å; L50-V52 PolarHBondContact O-N 2.98Å |
| 51 | L | 56.6 | Low | 53 | Low | 102 Ų | 102 | 118 Ų | 118 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77 | 100.7 | 170.2 | -84 | 148.8 | 0 | 0 | 0 | 109.3 | K44 F46 | K44-L51 HydrophobicContact CB-CD2 3.46Å; K44-L51 VanDerWaalsContact CB-CD2 3.46Å; K44-L51 HydrophobicContact CD-CB 4.33Å; K44-L51 HydrophobicContact CD-CD2 3.71Å; K44-L51 HydrophobicContact CD-CG 4.47Å; K44-L51 HydrophobicContact CG-CD2 4.24Å; F46-L51 HydrophobicContact CD2-CG 4.19Å |
| 52 | V | 58.5 | Low | 54.1 | Low | 66 Ų | 66 | 114.1 Ų | 114.1 | 40% | 0.4 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 137 | -179.9 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | V45 L50 A54 | V45-V52 PolarHBondContact N-O 3.36Å; V45-V52 PolarHBondContact O-N 3.29Å; V45-V52 VanDerWaalsContact O-N 3.11Å; L50-V52 HydrophobicContact CB-CG2 4.29Å; L50-V52 PolarHBondContact O-N 2.98Å; V52-A54 PolarHBondContact O-N 3.28Å |
| 53 | P | 55.5 | Low | 55.4 | Low | 100 Ų | 100 | 112.6 Ų | 112.6 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.1 | 127.9 | 173.6 | -15.3 | 28.6 | 0 | 0 | 0 | 110.8 | ||
| 54 | A | 52.7 | Low | 56.9 | Low | 47 Ų | 47 | 106.5 Ų | 106.5 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 133.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K43 V45 V52 S56 | K43-A54 WeakPolarHBondContact O-CB 3.41Å; K43-A54 PolarHBondContact O-N 3.19Å; V45-A54 HydrophobicContact CG2-CB 4.26Å; V52-A54 PolarHBondContact O-N 3.28Å; A54-S56 PolarHBondContact O-N 3.32Å |
| 55 | P | 48.9 | Very low | 58.2 | Low | 134 Ų | 134 | 101 Ų | 101 | 87% | 0.87 | 56% | 0.559 | S | S | * | * | trans | -74.7 | 105.4 | 176.3 | 28.6 | -31.5 | 0 | 0 | 0 | 110.3 | ||||
| 56 | S | 50.1 | Low | 59.5 | Low | 81 Ų | 81 | 100.7 Ų | 100.7 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | trans | -94.7 | 128.9 | 167.8 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | A54 D58 | A54-S56 PolarHBondContact O-N 3.32Å; S56-D58 PolarHBondContact O-N 3.5Å | ||
| 57 | K | 52.5 | Low | 60.9 | Low | 209 Ų | 209 | 95.1 Ų | 95.1 | 91% | 0.909 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -73.1 | -1.4 | -176.3 | -72.1 | -176.7 | 175 | -179.9 | 0 | 115.6 | ||
| 58 | D | 48.2 | Very low | 62.5 | Low | 122 Ų | 122 | 92.8 Ų | 92.8 | 65% | 0.652 | 53% | 0.525 | S | S | * | . | trans | -106.5 | 68.3 | -179.6 | -66.2 | -42.8 | 0 | 0 | 0 | 111.8 | S56 Q60 | S56-D58 PolarHBondContact O-N 3.5Å; D58-Q60 VanDerWaalsContact C-N 3.28Å; D58-Q60 PolarHBondContact O-N 3.05Å; D58-Q60 VanDerWaalsContact O-N 3.15Å | ||
| 59 | E | 53.2 | Low | 63.9 | Low | 139 Ų | 139 | 84.6 Ų | 84.6 | 65% | 0.65 | 50% | 0.497 | S | S | * | . | trans | -87.1 | 65.1 | 175.9 | -148.2 | 176.6 | -171.1 | 0 | 0 | 110 | T37 | T37-E59 HydrophobicContact CG2-CG 4.1Å; T37-E59 WeakPolarHBondContact CG2-OE1 3.44Å; T37-E59 PolarHBondContact OG1-OE1 3.11Å | ||
| 60 | Q | 58.5 | Low | 65.4 | Low | 155 Ų | 155 | 89.1 Ų | 89.1 | 72% | 0.724 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 125.5 | 177.1 | -71.7 | -177.6 | 30.2 | 0 | 0 | 111.1 | D58 | D58-Q60 VanDerWaalsContact C-N 3.28Å; D58-Q60 PolarHBondContact O-N 3.05Å; D58-Q60 VanDerWaalsContact O-N 3.15Å |
| 61 | A | 64.7 | Low | 67 | Low | 43 Ų | 43 | 89.5 Ų | 89.5 | 36% | 0.355 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 132.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I36 L63 I66 | I36-A61 HydrophobicContact CG2-CB 4.18Å; A61-L63 PolarHBondContact O-N 3.48Å; A61-I66 HydrophobicContact CB-CD1 4.14Å; A61-I66 HydrophobicContact CB-CG1 4.37Å; A61-I66 VanDerWaalsContact O-CD1 3.32Å; A61-I66 WeakPolarHBondContact O-CD1 3.21Å |
| 62 | P | 69.6 | Low | 68.4 | Low | 36 Ų | 36 | 85.7 Ų | 85.7 | 23% | 0.234 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 133.9 | -174 | 18.2 | -29.7 | 0 | 0 | 0 | 112.9 | M1 G64 L65 I66 | M1-P62 HydrophobicContact CE-CB 4.01Å; M1-P62 HydrophobicContact CE-CG 3.02Å; M1-P62 HydrophobicContact CG-CB 3.86Å; M1-P62 HydrophobicContact CG-CG 3.87Å; M1-P62 HydrophobicContact SD-CB 3.56Å; M1-P62 VanDerWaalsContact SD-CB 3.56Å; M1-P62 HydrophobicContact SD-CG 3.26Å; M1-P62 WeakPolarHBondContact SD-CG 3.23Å; P62-G64 PolarHBondContact O-N 2.85Å; P62-G64 VanDerWaalsContact O-N 3.08Å; P62-L65 PolarHBondContact O-N 3.45Å; P62-L65 VanDerWaalsContact O-N 3.08Å; P62-I66 PolarHBondContact O-N 3.2Å |
| 63 | L | 75.3 | Confident | 69.7 | Low | 153 Ų | 153 | 90.4 Ų | 90.4 | 80% | 0.801 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -52.5 | -35 | -172.7 | -69 | 165.9 | 0 | 0 | 0 | 114.2 | A61 I66 G67 | A61-L63 PolarHBondContact O-N 3.48Å; L63-I66 PolarHBondContact O-N 3.06Å; L63-G67 PolarHBondContact O-N 3.38Å |
| 64 | G | 78.4 | Confident | 71.1 | Confident | 43 Ų | 43 | 90.2 Ų | 90.2 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I5 P62 G67 A68 | I5-G64 VanDerWaalsContact CD1-C 3.45Å; I5-G64 WeakPolarHBondContact CD1-O 3.44Å; P62-G64 PolarHBondContact O-N 2.85Å; P62-G64 VanDerWaalsContact O-N 3.08Å; G64-G67 PolarHBondContact O-N 2.8Å; G64-A68 PolarHBondContact O-N 2.71Å |
| 65 | L | 80 | Confident | 72.6 | Confident | 9 Ų | 9 | 88.9 Ų | 88.9 | 5% | 0.047 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 178.1 | 179.9 | 59.8 | 0 | 0 | 0 | 110.7 | M1 L4 P62 G67 A68 L69 | M1-L65 HydrophobicContact CE-CB 4.32Å; M1-L65 HydrophobicContact CE-CD2 4.39Å; M1-L65 HydrophobicContact SD-CB 4.18Å; L4-L65 HydrophobicContact CD2-CD1 3.87Å; P62-L65 PolarHBondContact O-N 3.45Å; P62-L65 VanDerWaalsContact O-N 3.08Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.45Å; L65-A68 PolarHBondContact O-N 3.47Å; L65-L69 HydrophobicContact CD1-CD1 4.4Å; L65-L69 HydrophobicContact CD1-CG 4.36Å; L65-L69 HydrophobicContact CG-CD1 4.13Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.16Å; L65-L69 PolarHBondContact O-N 2.9Å |
| 66 | I | 81.1 | Confident | 74.3 | Confident | 64 Ų | 64 | 89 Ų | 89 | 33% | 0.328 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 174.8 | -62.6 | 171.5 | 0 | 0 | 0 | 110.5 | A61 P62 L63 L69 K70 | A61-I66 HydrophobicContact CB-CD1 4.14Å; A61-I66 HydrophobicContact CB-CG1 4.37Å; A61-I66 VanDerWaalsContact O-CD1 3.32Å; A61-I66 WeakPolarHBondContact O-CD1 3.21Å; P62-I66 PolarHBondContact O-N 3.2Å; L63-I66 PolarHBondContact O-N 3.06Å; I66-L69 PolarHBondContact O-N 3.24Å; I66-K70 HydrophobicContact CG2-CD 4.31Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 WeakPolarHBondContact O-CG 3.44Å; I66-K70 PolarHBondContact O-N 3.25Å |
| 67 | G | 83.6 | Confident | 75.9 | Confident | 32 Ų | 32 | 85.4 Ų | 85.4 | 33% | 0.33 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L63 G64 L65 K70 K71 | L63-G67 PolarHBondContact O-N 3.38Å; G64-G67 PolarHBondContact O-N 2.8Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.45Å; G67-K70 PolarHBondContact O-N 2.94Å; G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.22Å |
| 68 | A | 82.8 | Confident | 77.1 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 6% | 0.058 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I5 G64 L65 K70 K71 I72 | I5-A68 HydrophobicContact CD1-CB 4.34Å; I5-A68 HydrophobicContact CG1-CB 4.2Å; I5-A68 HydrophobicContact CG2-CB 4.25Å; G64-A68 PolarHBondContact O-N 2.71Å; L65-A68 PolarHBondContact O-N 3.47Å; A68-K70 PolarHBondContact O-N 3.13Å; A68-K71 WeakPolarHBondContact O-CB 3.45Å; A68-K71 PolarHBondContact O-N 2.9Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.43Å |
| 69 | L | 84 | Confident | 78.6 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.8 | -71.1 | 172.5 | 0 | 0 | 0 | 112.3 | L65 I66 K71 I72 K73 M84 | L65-L69 HydrophobicContact CD1-CD1 4.4Å; L65-L69 HydrophobicContact CD1-CG 4.36Å; L65-L69 HydrophobicContact CG-CD1 4.13Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.16Å; L65-L69 PolarHBondContact O-N 2.9Å; I66-L69 PolarHBondContact O-N 3.24Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.31Å; L69-I72 HydrophobicContact CD2-CD1 4.48Å; L69-I72 PolarHBondContact O-N 3.4Å; L69-K73 WeakPolarHBondContact O-CB 3.41Å; L69-K73 PolarHBondContact O-N 3.37Å; L69-M84 HydrophobicContact CD2-CE 4.39Å |
| 70 | K | 85.9 | Confident | 80 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 173 | -77.8 | -179.4 | 178.5 | -178 | 0 | 111.8 | I66 G67 A68 K73 S74 | I66-K70 HydrophobicContact CG2-CD 4.31Å; I66-K70 WeakPolarHBondContact O-CB 3.41Å; I66-K70 WeakPolarHBondContact O-CG 3.44Å; I66-K70 PolarHBondContact O-N 3.25Å; G67-K70 PolarHBondContact O-N 2.94Å; A68-K70 PolarHBondContact O-N 3.13Å; K70-K73 PolarHBondContact O-N 3.36Å; K70-S74 PolarHBondContact O-N 2.66Å |
| 71 | K | 86.7 | Confident | 81.1 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.2 | -46.9 | 174.8 | -73.4 | -176.7 | 178.8 | -173.9 | 0 | 111.7 | G67 A68 L69 K73 S74 G75 Y76 L77 | G67-K71 WeakPolarHBondContact O-CG 3.34Å; G67-K71 PolarHBondContact O-N 3.22Å; A68-K71 WeakPolarHBondContact O-CB 3.45Å; A68-K71 PolarHBondContact O-N 2.9Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.31Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 3.01Å; K71-S74 WeakPolarHBondContact O-CA 3.31Å; K71-S74 WeakPolarHBondContact O-CB 3.35Å; K71-S74 PolarHBondContact O-N 3.04Å; K71-S74 PolarHBondContact O-OG 2.94Å; K71-G75 PolarHBondContact O-N 2.84Å; K71-Y76 CarbonylContact C-O 3.5Å; K71-Y76 VanDerWaalsContact C-O 3.26Å; K71-Y76 PolarHBondContact O-N 2.79Å; K71-L77 HydrophobicContact CB-CD1 4.12Å; K71-L77 HydrophobicContact CD-CD1 4.46Å |
| 72 | I | 85.7 | Confident | 82.1 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 176.4 | -64.1 | 162.3 | 0 | 0 | 0 | 111.3 | L8 A68 L69 S74 G75 L77 T82 M84 | L8-I72 HydrophobicContact CD2-CD1 3.59Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.43Å; L69-I72 HydrophobicContact CD2-CD1 4.48Å; L69-I72 PolarHBondContact O-N 3.4Å; I72-S74 VanDerWaalsContact C-N 3.31Å; I72-S74 PolarHBondContact O-N 3.4Å; I72-G75 PolarHBondContact O-N 3.35Å; I72-L77 HydrophobicContact CD1-CD2 3.74Å; I72-L77 HydrophobicContact CG1-CB 4Å; I72-L77 HydrophobicContact CG1-CD1 4.47Å; I72-L77 HydrophobicContact CG1-CD2 3.54Å; I72-L77 HydrophobicContact CG1-CG 4.2Å; I72-T82 PolarHBondContact O-OG1 3.11Å; I72-T82 VanDerWaalsContact O-OG1 3.07Å; I72-M84 HydrophobicContact CG2-CB 4.14Å; I72-M84 HydrophobicContact CG2-CG 4.41Å; I72-M84 HydrophobicContact CG2-SD 4.47Å |
| 73 | K | 86.2 | Confident | 82.8 | Confident | 165 Ų | 165 | 71.4 Ų | 71.4 | 72% | 0.717 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.1 | -34.3 | 175.2 | -173.6 | 179.8 | 177.1 | -177.3 | 0 | 112.5 | L69 K70 K71 G75 M84 | L69-K73 WeakPolarHBondContact O-CB 3.41Å; L69-K73 PolarHBondContact O-N 3.37Å; K70-K73 PolarHBondContact O-N 3.36Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 PolarHBondContact O-N 3.01Å; K73-G75 PolarHBondContact O-N 3.11Å; K73-M84 HydrophobicContact CB-SD 4.14Å |
| 74 | S | 85.7 | Confident | 83.3 | Confident | 96 Ų | 96 | 69.3 Ų | 69.3 | 67% | 0.671 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.6 | -9.7 | 173.4 | 73.2 | 0 | 0 | 0 | 0 | 113.9 | K70 K71 I72 | K70-S74 PolarHBondContact O-N 2.66Å; K71-S74 WeakPolarHBondContact O-CA 3.31Å; K71-S74 WeakPolarHBondContact O-CB 3.35Å; K71-S74 PolarHBondContact O-N 3.04Å; K71-S74 PolarHBondContact O-OG 2.94Å; I72-S74 VanDerWaalsContact C-N 3.31Å; I72-S74 PolarHBondContact O-N 3.4Å |
| 75 | G | 84.3 | Confident | 83.4 | Confident | 20 Ų | 20 | 69 Ų | 69 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 11.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K71 I72 K73 R81 T82 | K71-G75 PolarHBondContact O-N 2.84Å; I72-G75 PolarHBondContact O-N 3.35Å; K73-G75 PolarHBondContact O-N 3.11Å; G75-R81 WeakPolarHBondContact O-CA 3.28Å; G75-R81 WeakPolarHBondContact O-CG 3.4Å; G75-T82 CarbonylContact C-O 3.57Å; G75-T82 WeakPolarHBondContact CA-O 3.36Å; G75-T82 PolarHBondContact O-N 2.68Å |
| 76 | Y | 84.6 | Confident | 83.3 | Confident | 136 Ų | 136 | 75.1 Ų | 75.1 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 133.4 | -179.1 | -174.2 | -94.9 | 0 | 0 | 0 | 112.8 | K71 G79 T80 T82 | K71-Y76 CarbonylContact C-O 3.5Å; K71-Y76 VanDerWaalsContact C-O 3.26Å; K71-Y76 PolarHBondContact O-N 2.79Å; Y76-G79 WeakPolarHBondContact OH-CA 2.99Å; Y76-G79 PolarHBondContact OH-N 3.45Å; Y76-T80 WeakPolarHBondContact CA-O 3.41Å; Y76-T82 PolarHBondContact N-OG1 3.03Å |
| 77 | L | 82.6 | Confident | 83 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 123.8 | 171.1 | -174.6 | 65.8 | 0 | 0 | 0 | 109.6 | L8 L12 K71 I72 G79 T80 T82 | L8-L77 HydrophobicContact CD2-CD2 4.01Å; L8-L77 HydrophobicContact CG-CD2 4.1Å; L12-L77 HydrophobicContact CD1-CB 4.24Å; L12-L77 HydrophobicContact CD1-CD2 3.49Å; L12-L77 VanDerWaalsContact CD1-CD2 3.49Å; L12-L77 HydrophobicContact CD1-CG 4.23Å; K71-L77 HydrophobicContact CB-CD1 4.12Å; K71-L77 HydrophobicContact CD-CD1 4.46Å; I72-L77 HydrophobicContact CD1-CD2 3.74Å; I72-L77 HydrophobicContact CG1-CB 4Å; I72-L77 HydrophobicContact CG1-CD1 4.47Å; I72-L77 HydrophobicContact CG1-CD2 3.54Å; I72-L77 HydrophobicContact CG1-CG 4.2Å; L77-G79 PolarHBondContact O-N 3.09Å; L77-T80 PolarHBondContact N-O 3.27Å; L77-T80 WeakPolarHBondContact O-CB 3.48Å; L77-T80 PolarHBondContact O-N 3.35Å; L77-T82 HydrophobicContact CB-CG2 4.25Å |
| 78 | S | 77.2 | Confident | 82.3 | Confident | 48 Ų | 48 | 75 Ų | 75 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 48.8 | 172.5 | -63 | 0 | 0 | 0 | 0 | 115.8 | K9 L13 T80 | K9-S78 WeakPolarHBondContact CD-OG 3.2Å; K9-S78 VanDerWaalsContact CG-OG 3.23Å; K9-S78 WeakPolarHBondContact CG-OG 3.4Å; L13-S78 WeakPolarHBondContact CD2-O 3.41Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.02Å |
| 79 | G | 80 | Confident | 81.8 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 26% | 0.258 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -13.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K16 Y76 L77 | K16-G79 PolarHBondContact NZ-O 3.24Å; Y76-G79 WeakPolarHBondContact OH-CA 2.99Å; Y76-G79 PolarHBondContact OH-N 3.45Å; L77-G79 PolarHBondContact O-N 3.09Å |
| 80 | T | 82.1 | Confident | 81.4 | Confident | 18 Ų | 18 | 78.2 Ų | 78.2 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.1 | -174.4 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | L12 K16 Y76 L77 S78 T82 | L12-T80 PolarHBondContact O-OG1 3.48Å; K16-T80 HydrophobicContact CB-CG2 4.23Å; K16-T80 HydrophobicContact CD-CG2 4.42Å; K16-T80 VanDerWaalsContact CD-OG1 3.32Å; K16-T80 WeakPolarHBondContact CD-OG1 3.28Å; Y76-T80 WeakPolarHBondContact CA-O 3.41Å; L77-T80 PolarHBondContact N-O 3.27Å; L77-T80 WeakPolarHBondContact O-CB 3.48Å; L77-T80 PolarHBondContact O-N 3.35Å; S78-T80 VanDerWaalsContact C-N 3.27Å; S78-T80 PolarHBondContact O-N 3.02Å; T80-T82 PolarHBondContact O-N 3.09Å |
| 81 | R | 83.4 | Confident | 80.5 | Confident | 204 Ų | 204 | 72.9 Ų | 72.9 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.5 | 173.9 | -162.4 | 178.3 | -155.8 | -147.9 | 2.3 | 108.5 | G75 | G75-R81 WeakPolarHBondContact O-CA 3.28Å; G75-R81 WeakPolarHBondContact O-CG 3.4Å |
| 82 | T | 84.6 | Confident | 79.3 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | trans | -109.9 | 154.2 | -178.2 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | L12 I72 G75 Y76 L77 T80 | L12-T82 HydrophobicContact CD1-CG2 4.16Å; I72-T82 PolarHBondContact O-OG1 3.11Å; I72-T82 VanDerWaalsContact O-OG1 3.07Å; G75-T82 CarbonylContact C-O 3.57Å; G75-T82 WeakPolarHBondContact CA-O 3.36Å; G75-T82 PolarHBondContact O-N 2.68Å; Y76-T82 PolarHBondContact N-OG1 3.03Å; L77-T82 HydrophobicContact CB-CG2 4.25Å; T80-T82 PolarHBondContact O-N 3.09Å | ||
| 83 | I | 84.7 | Confident | 78.3 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | trans | -124.5 | 124.5 | 163.7 | -63.7 | -177.3 | 0 | 0 | 0 | 105.9 | F90 | I83-F90 HydrophobicContact CB-CE1 4.12Å; I83-F90 HydrophobicContact CB-CZ 4.39Å; I83-F90 HydrophobicContact CG2-CE1 3.71Å; I83-F90 HydrophobicContact CG2-CZ 3.92Å; I83-F90 WeakPolarHBondContact O-CZ 3.41Å | ||
| 84 | M | 84.7 | Confident | 77.2 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | trans | -98.3 | 132.2 | 172 | -163.5 | 179 | -179.2 | 0 | 0 | 108.6 | L69 I72 K73 | L69-M84 HydrophobicContact CD2-CE 4.39Å; I72-M84 HydrophobicContact CG2-CB 4.14Å; I72-M84 HydrophobicContact CG2-CG 4.41Å; I72-M84 HydrophobicContact CG2-SD 4.47Å; K73-M84 HydrophobicContact CB-SD 4.14Å | ||
| 85 | G | 81.1 | Confident | 75.7 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | trans | -161.6 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 86 | K | 78.1 | Confident | 74.4 | Confident | 137 Ų | 137 | 76.8 Ų | 76.8 | 60% | 0.596 | 42% | 0.415 | S | S | * | . | trans | -74 | 152.8 | 167.3 | -66 | 177.4 | -178.2 | 177.6 | 0 | 108.2 | S88 D89 F90 | K86-S88 WeakPolarHBondContact CB-OG 3.46Å; K86-S88 PolarHBondContact O-N 2.91Å; K86-S88 VanDerWaalsContact O-N 3.12Å; K86-D89 PolarHBondContact N-OD2 3.09Å; K86-D89 WeakPolarHBondContact O-CB 3.2Å; K86-D89 PolarHBondContact O-N 3.38Å; K86-F90 VanDerWaalsContact O-CD2 3.31Å; K86-F90 WeakPolarHBondContact O-CD2 3.39Å | ||
| 87 | I | 75.3 | Confident | 72.8 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 42% | 0.415 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.1 | -33.7 | 176 | -175.2 | 151.2 | 0 | 0 | 0 | 111.9 | D89 F90 V91 I119 | I87-D89 PolarHBondContact O-N 2.91Å; I87-F90 PolarHBondContact O-N 3.1Å; I87-F90 VanDerWaalsContact O-N 3.12Å; I87-V91 HydrophobicContact CG1-CG2 4.06Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.18Å; I87-I119 HydrophobicContact CB-CG2 4.35Å; I87-I119 HydrophobicContact CG1-CG2 4.16Å; I87-I119 HydrophobicContact CG2-CB 4.34Å; I87-I119 HydrophobicContact CG2-CD1 4.06Å; I87-I119 HydrophobicContact CG2-CG1 4.01Å; I87-I119 HydrophobicContact CG2-CG2 3.46Å; I87-I119 VanDerWaalsContact CG2-CG2 3.46Å |
| 88 | S | 69.4 | Low | 71.5 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 9% | 0.091 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -54.9 | -34.9 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 114 | K86 F90 I119 | K86-S88 WeakPolarHBondContact CB-OG 3.46Å; K86-S88 PolarHBondContact O-N 2.91Å; K86-S88 VanDerWaalsContact O-N 3.12Å; S88-F90 VanDerWaalsContact C-N 3.33Å; S88-I119 WeakPolarHBondContact CA-O 3.49Å; S88-I119 WeakPolarHBondContact CB-O 3.49Å |
| 89 | D | 71.8 | Confident | 70.4 | Confident | 88 Ų | 88 | 84.7 Ų | 84.7 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.4 | -35.3 | -176.6 | -52 | -22.8 | 0 | 0 | 0 | 109.8 | K86 I87 T92 | K86-D89 PolarHBondContact N-OD2 3.09Å; K86-D89 WeakPolarHBondContact O-CB 3.2Å; K86-D89 PolarHBondContact O-N 3.38Å; I87-D89 PolarHBondContact O-N 2.91Å; D89-T92 PolarHBondContact O-OG1 2.91Å |
| 90 | F | 74.7 | Confident | 69.1 | Low | 45 Ų | 45 | 90.4 Ų | 90.4 | 20% | 0.197 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -83.1 | -31.3 | 179 | -57.4 | -65.2 | 0 | 0 | 0 | 113.5 | L26 I83 K86 I87 S88 T92 T93 S94 | L26-F90 HydrophobicContact CD1-CB 4.07Å; L26-F90 HydrophobicContact CD1-CD2 3.69Å; L26-F90 HydrophobicContact CD1-CE2 4.24Å; L26-F90 HydrophobicContact CD1-CG 3.83Å; I83-F90 HydrophobicContact CB-CE1 4.12Å; I83-F90 HydrophobicContact CB-CZ 4.39Å; I83-F90 HydrophobicContact CG2-CE1 3.71Å; I83-F90 HydrophobicContact CG2-CZ 3.92Å; I83-F90 WeakPolarHBondContact O-CZ 3.41Å; K86-F90 VanDerWaalsContact O-CD2 3.31Å; K86-F90 WeakPolarHBondContact O-CD2 3.39Å; I87-F90 PolarHBondContact O-N 3.1Å; I87-F90 VanDerWaalsContact O-N 3.12Å; S88-F90 VanDerWaalsContact C-N 3.33Å; F90-T92 PolarHBondContact O-N 3.15Å; F90-T93 CarbonylContact O-C 3.49Å; F90-T93 PolarHBondContact O-N 2.71Å; F90-T93 PolarHBondContact O-OG1 3.13Å; F90-S94 PolarHBondContact O-N 3.22Å |
| 91 | V | 67.5 | Low | 67.7 | Low | 35 Ų | 35 | 99.4 Ų | 99.4 | 21% | 0.212 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -56.1 | -40.3 | 178.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | I87 T93 S94 I119 I120 | I87-V91 HydrophobicContact CG1-CG2 4.06Å; I87-V91 VanDerWaalsContact O-CG2 3.25Å; I87-V91 WeakPolarHBondContact O-CG2 3.48Å; I87-V91 PolarHBondContact O-N 3.18Å; V91-T93 PolarHBondContact O-N 3.02Å; V91-T93 VanDerWaalsContact O-N 3.09Å; V91-S94 PolarHBondContact O-N 3.49Å; V91-S94 PolarHBondContact O-OG 2.83Å; V91-I119 HydrophobicContact CG2-CG2 4.42Å; V91-I120 HydrophobicContact CG1-CG2 4.27Å |
| 92 | T | 60.7 | Low | 66.1 | Low | 111 Ų | 111 | 93.7 Ų | 93.7 | 68% | 0.681 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.9 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 114.4 | D89 F90 | D89-T92 PolarHBondContact O-OG1 2.91Å; F90-T92 PolarHBondContact O-N 3.15Å |
| 93 | T | 64.7 | Low | 64.3 | Low | 111 Ų | 111 | 95.8 Ų | 95.8 | 68% | 0.681 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -4 | 178 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | F90 V91 | F90-T93 CarbonylContact O-C 3.49Å; F90-T93 PolarHBondContact O-N 2.71Å; F90-T93 PolarHBondContact O-OG1 3.13Å; V91-T93 PolarHBondContact O-N 3.02Å; V91-T93 VanDerWaalsContact O-N 3.09Å |
| 94 | S | 64 | Low | 62.8 | Low | 51 Ų | 51 | 96.2 Ų | 96.2 | 36% | 0.357 | 53% | 0.525 | S | S | . | . | trans | -80.7 | 139.6 | -178.6 | 75.4 | 0 | 0 | 0 | 0 | 110.6 | F90 V91 I96 | F90-S94 PolarHBondContact O-N 3.22Å; V91-S94 PolarHBondContact O-N 3.49Å; V91-S94 PolarHBondContact O-OG 2.83Å; S94-I96 PolarHBondContact O-N 3.22Å | ||
| 95 | C | 54.8 | Low | 61.3 | Low | 130 Ų | 130 | 95.6 Ų | 95.6 | 88% | 0.878 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -74.4 | 1.6 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 96 | I | 55.9 | Low | 60.3 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | trans | -95.6 | 105.4 | -174.8 | -57.8 | 177.2 | 0 | 0 | 0 | 109 | S94 K98 | S94-I96 PolarHBondContact O-N 3.22Å; I96-K98 VanDerWaalsContact CG2-O 3.26Å; I96-K98 WeakPolarHBondContact CG2-O 3.37Å | ||
| 97 | T | 52.4 | Low | 59.5 | Low | 124 Ų | 124 | 102.3 Ų | 102.3 | 76% | 0.761 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -89 | -13.3 | 176.7 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 98 | K | 54.8 | Low | 58.9 | Low | 139 Ų | 139 | 100.2 Ų | 100.2 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -145.8 | 123.1 | -178.7 | -164.2 | 176.6 | -177.2 | -177.8 | 0 | 110.1 | I96 H100 | I96-K98 VanDerWaalsContact CG2-O 3.26Å; I96-K98 WeakPolarHBondContact CG2-O 3.37Å; K98-H100 PolarHBondContact O-N 3.17Å; K98-H100 VanDerWaalsContact O-N 3.15Å |
| 99 | L | 53 | Low | 59 | Low | 93 Ų | 93 | 104.1 Ų | 104.1 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | trans | -78.1 | 96 | 171.2 | -79.1 | 162.3 | 0 | 0 | 0 | 108.3 | F101 L102 | L99-F101 PolarHBondContact O-N 3.28Å; L99-F101 VanDerWaalsContact O-N 3.1Å; L99-L102 HydrophobicContact CB-CB 4.33Å; L99-L102 HydrophobicContact CD1-CD1 4.29Å; L99-L102 CarbonylContact O-C 3.18Å; L99-L102 PolarHBondContact O-N 3.3Å; L99-L102 VanDerWaalsContact O-N 3.09Å | ||
| 100 | H | 52.5 | Low | 59.2 | Low | 144 Ų | 144 | 104.6 Ų | 104.6 | 67% | 0.667 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -19.6 | -175.5 | -110.7 | -85.2 | 0 | 0 | 0 | 114.6 | K98 | K98-H100 PolarHBondContact O-N 3.17Å; K98-H100 VanDerWaalsContact O-N 3.15Å |
| 101 | F | 52.6 | Low | 59.3 | Low | 208 Ų | 208 | 109.7 Ų | 109.7 | 91% | 0.912 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -1.5 | -179.8 | -62.4 | -76.5 | 0 | 0 | 0 | 114 | L99 | L99-F101 PolarHBondContact O-N 3.28Å; L99-F101 VanDerWaalsContact O-N 3.1Å |
| 102 | L | 49.7 | Very low | 59.5 | Low | 84 Ų | 84 | 112.6 Ų | 112.6 | 44% | 0.44 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -124.8 | 63 | 171.5 | -72.2 | 163.2 | 0 | 0 | 0 | 106.6 | L99 T104 L116 | L99-L102 HydrophobicContact CB-CB 4.33Å; L99-L102 HydrophobicContact CD1-CD1 4.29Å; L99-L102 CarbonylContact O-C 3.18Å; L99-L102 PolarHBondContact O-N 3.3Å; L99-L102 VanDerWaalsContact O-N 3.09Å; L102-T104 PolarHBondContact O-N 2.97Å; L102-L116 HydrophobicContact CD1-CD1 4.07Å; L102-L116 HydrophobicContact CD1-CD2 4.48Å |
| 103 | S | 47.5 | Very low | 59.9 | Low | 59 Ų | 59 | 109.7 Ų | 109.7 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | trans | -45.6 | 129.4 | 164.7 | -62.6 | 0 | 0 | 0 | 0 | 107.1 | D105 | S103-D105 WeakPolarHBondContact CB-OD2 3.19Å; S103-D105 PolarHBondContact O-N 3.45Å | ||
| 104 | T | 53.1 | Low | 60.4 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | trans | -59.8 | 49.5 | 161.3 | 35.2 | 0 | 0 | 0 | 0 | 110.3 | L102 | L102-T104 PolarHBondContact O-N 2.97Š| ||
| 105 | D | 53.4 | Low | 60.7 | Low | 94 Ų | 94 | 110.1 Ų | 110.1 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | trans | -68.7 | 141.1 | 168 | -70.2 | -24.5 | 0 | 0 | 0 | 106.4 | S103 N107 V108 R113 | S103-D105 WeakPolarHBondContact CB-OD2 3.19Å; S103-D105 PolarHBondContact O-N 3.45Å; D105-N107 HydrophobicContact CB-CB 4.5Å; D105-N107 PolarHBondContact O-N 2.85Å; D105-V108 PolarHBondContact O-N 2.84Å; D105-V108 VanDerWaalsContact O-N 3.08Å; D105-R113 VanDerWaalsContact C-NH2 3.34Å; D105-R113 PolarHBondContact O-NH2 2.92Å | ||
| 106 | E | 59.4 | Low | 61.4 | Low | 160 Ų | 160 | 105.7 Ų | 105.7 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -7 | 176.1 | -62.1 | -64 | -177.8 | 0 | 0 | 113.4 | R113 | E106-R113 IonicContact OE2-CZ 3.13Å; E106-R113 IonicContact OE2-NH1 3.8Å; E106-R113 PolarHBondContact OE2-NH1 2.97Å; E106-R113 IonicContact OE2-NH2 2.91Å; E106-R113 PolarHBondContact OE2-NH2 2.78Å |
| 107 | N | 61.6 | Low | 62.1 | Low | 156 Ų | 156 | 106.1 Ų | 106.1 | 83% | 0.834 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.1 | 176.9 | -62.7 | -25.3 | 0 | 0 | 0 | 114.5 | D105 | D105-N107 HydrophobicContact CB-CB 4.5Å; D105-N107 PolarHBondContact O-N 2.85Å |
| 108 | V | 63 | Low | 63 | Low | 36 Ų | 36 | 106.8 Ų | 106.8 | 22% | 0.218 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -86.1 | 123.7 | 174.3 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | D105 M112 | D105-V108 PolarHBondContact O-N 2.84Å; D105-V108 VanDerWaalsContact O-N 3.08Å; V108-M112 HydrophobicContact CG1-CB 3.96Å; V108-M112 HydrophobicContact CG1-CG 3.96Å |
| 109 | D | 71.2 | Confident | 63.6 | Low | 95 Ų | 95 | 101.7 Ų | 101.7 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | trans | -42.3 | 125.3 | 175.7 | -169.4 | -24.6 | 0 | 0 | 0 | 110.9 | E111 M112 R113 | D109-E111 PolarHBondContact O-N 3.4Å; D109-E111 PolarHBondContact OD1-N 3.38Å; D109-E111 VanDerWaalsContact OD1-N 3.1Å; D109-M112 HydrophobicContact CB-CB 4.32Å; D109-M112 WeakPolarHBondContact O-CB 3.26Å; D109-M112 PolarHBondContact O-N 3.12Å; D109-R113 PolarHBondContact O-N 3.34Å | ||
| 110 | P | 75.6 | Confident | 64.2 | Low | 99 Ų | 99 | 101.6 Ų | 101.6 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -51.7 | -30.7 | 179.2 | 19.5 | -33.6 | 0 | 0 | 0 | 113.3 | R113 A114 | P110-R113 PolarHBondContact O-N 3.42Å; P110-A114 WeakPolarHBondContact O-CB 3.31Å; P110-A114 PolarHBondContact O-N 3Å |
| 111 | E | 77.2 | Confident | 64.7 | Low | 151 Ų | 151 | 102.4 Ų | 102.4 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -46.2 | 176.9 | -168.1 | 174.5 | -170.1 | 0 | 0 | 111.9 | D109 R113 A114 F115 | D109-E111 PolarHBondContact O-N 3.4Å; D109-E111 PolarHBondContact OD1-N 3.38Å; D109-E111 VanDerWaalsContact OD1-N 3.1Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 3.3Å; E111-A114 PolarHBondContact O-N 2.96Å; E111-F115 WeakPolarHBondContact O-CB 3.43Å; E111-F115 PolarHBondContact O-N 3.3Å |
| 112 | M | 72.7 | Confident | 65 | Low | 96 Ų | 96 | 93.8 Ų | 93.8 | 47% | 0.473 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 174.9 | -177.3 | 63.2 | 72.9 | 0 | 0 | 110.9 | V108 D109 A114 F115 L116 | V108-M112 HydrophobicContact CG1-CB 3.96Å; V108-M112 HydrophobicContact CG1-CG 3.96Å; D109-M112 HydrophobicContact CB-CB 4.32Å; D109-M112 WeakPolarHBondContact O-CB 3.26Å; D109-M112 PolarHBondContact O-N 3.12Å; M112-A114 VanDerWaalsContact C-N 3.34Å; M112-A114 PolarHBondContact O-N 3.36Å; M112-F115 PolarHBondContact O-N 3.29Å; M112-F115 HydrophobicContact SD-CD1 4.31Å; M112-L116 HydrophobicContact CG-CD1 4.12Å; M112-L116 HydrophobicContact CG-CG 4.39Å; M112-L116 WeakPolarHBondContact O-CB 3.29Å; M112-L116 VanDerWaalsContact O-CG 3.32Å; M112-L116 WeakPolarHBondContact O-CG 3.37Å; M112-L116 PolarHBondContact O-N 3.19Å; M112-L116 HydrophobicContact SD-CG 4.33Å |
| 113 | R | 69.2 | Low | 65 | Low | 50 Ų | 50 | 93 Ų | 93 | 19% | 0.189 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 177.3 | -166.3 | -177.9 | -79.8 | 174.8 | -15.4 | 111.4 | D105 E106 D109 P110 E111 R117 | D105-R113 VanDerWaalsContact C-NH2 3.34Å; D105-R113 PolarHBondContact O-NH2 2.92Å; E106-R113 IonicContact OE2-CZ 3.13Å; E106-R113 IonicContact OE2-NH1 3.8Å; E106-R113 PolarHBondContact OE2-NH1 2.97Å; E106-R113 IonicContact OE2-NH2 2.91Å; E106-R113 PolarHBondContact OE2-NH2 2.78Å; D109-R113 PolarHBondContact O-N 3.34Å; P110-R113 PolarHBondContact O-N 3.42Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 3.3Å; R113-R117 WeakPolarHBondContact O-CG 3.41Å; R113-R117 PolarHBondContact O-N 3.42Å |
| 114 | A | 73.9 | Confident | 65.3 | Low | 52 Ų | 52 | 100.5 Ų | 100.5 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P110 E111 M112 R117 K118 | P110-A114 WeakPolarHBondContact O-CB 3.31Å; P110-A114 PolarHBondContact O-N 3Å; E111-A114 PolarHBondContact O-N 2.96Å; M112-A114 VanDerWaalsContact C-N 3.34Å; M112-A114 PolarHBondContact O-N 3.36Å; A114-R117 PolarHBondContact O-N 2.9Å; A114-K118 WeakPolarHBondContact O-CB 3.25Å; A114-K118 PolarHBondContact O-N 2.97Å |
| 115 | F | 71.8 | Confident | 65.2 | Low | 119 Ų | 119 | 100.2 Ų | 100.2 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 176.2 | 178.9 | -105.9 | 0 | 0 | 0 | 112.4 | E111 M112 R117 K118 I119 | E111-F115 WeakPolarHBondContact O-CB 3.43Å; E111-F115 PolarHBondContact O-N 3.3Å; M112-F115 PolarHBondContact O-N 3.29Å; M112-F115 HydrophobicContact SD-CD1 4.31Å; F115-R117 PolarHBondContact O-N 3.41Å; F115-K118 WeakPolarHBondContact O-CB 3.02Å; F115-K118 PolarHBondContact O-N 2.95Å; F115-K118 VanDerWaalsContact O-N 3.13Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CE1-CD1 3.21Å; F115-I119 HydrophobicContact CE1-CG1 4.35Å; F115-I119 HydrophobicContact CE2-CD1 4.2Å; F115-I119 HydrophobicContact CG-CD1 4.42Å; F115-I119 HydrophobicContact CZ-CD1 3.49Å; F115-I119 VanDerWaalsContact CZ-CD1 3.49Å; F115-I119 HydrophobicContact CZ-CG1 4.32Å; F115-I119 PolarHBondContact O-N 3.05Å |
| 116 | L | 69.5 | Low | 65.1 | Low | 37 Ų | 37 | 98.2 Ų | 98.2 | 19% | 0.194 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.2 | -70.1 | 174.4 | 0 | 0 | 0 | 111.6 | L102 M112 K118 I119 I120 | L102-L116 HydrophobicContact CD1-CD1 4.07Å; L102-L116 HydrophobicContact CD1-CD2 4.48Å; M112-L116 HydrophobicContact CG-CD1 4.12Å; M112-L116 HydrophobicContact CG-CG 4.39Å; M112-L116 WeakPolarHBondContact O-CB 3.29Å; M112-L116 VanDerWaalsContact O-CG 3.32Å; M112-L116 WeakPolarHBondContact O-CG 3.37Å; M112-L116 PolarHBondContact O-N 3.19Å; M112-L116 HydrophobicContact SD-CG 4.33Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.06Å; L116-I119 PolarHBondContact O-N 2.79Å; L116-I120 VanDerWaalsContact O-CG1 3.29Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 3.27Å |
| 117 | R | 69 | Low | 64.8 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 46% | 0.464 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 173.5 | -76.5 | -171 | -137.4 | 140.5 | -2 | 111.9 | R113 A114 F115 I119 I120 R121 | R113-R117 WeakPolarHBondContact O-CG 3.41Å; R113-R117 PolarHBondContact O-N 3.42Å; A114-R117 PolarHBondContact O-N 2.9Å; F115-R117 PolarHBondContact O-N 3.41Å; R117-I119 VanDerWaalsContact C-N 3.34Å; R117-I120 PolarHBondContact O-N 3.02Å; R117-R121 WeakPolarHBondContact O-CB 3.29Å; R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.47Å; R117-R121 PolarHBondContact O-N 2.88Å |
| 118 | K | 71.4 | Confident | 64.5 | Low | 138 Ų | 138 | 98.2 Ų | 98.2 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.2 | -36.9 | 177.5 | -175.8 | 179.1 | 179.7 | 178.7 | 0 | 112.1 | A114 F115 L116 G122 | A114-K118 WeakPolarHBondContact O-CB 3.25Å; A114-K118 PolarHBondContact O-N 2.97Å; F115-K118 WeakPolarHBondContact O-CB 3.02Å; F115-K118 PolarHBondContact O-N 2.95Å; F115-K118 VanDerWaalsContact O-N 3.13Å; L116-K118 VanDerWaalsContact C-N 3.31Å; L116-K118 PolarHBondContact O-N 3.06Å; K118-G122 CarbonylContact O-C 3.57Å; K118-G122 PolarHBondContact O-N 3.34Å |
| 119 | I | 68 | Low | 64.5 | Low | 32 Ų | 32 | 97.8 Ų | 97.8 | 16% | 0.164 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.4 | -51.9 | 173.4 | -76.7 | 168.9 | 0 | 0 | 0 | 110.8 | I87 S88 V91 F115 L116 R117 G122 | I87-I119 HydrophobicContact CB-CG2 4.35Å; I87-I119 HydrophobicContact CG1-CG2 4.16Å; I87-I119 HydrophobicContact CG2-CB 4.34Å; I87-I119 HydrophobicContact CG2-CD1 4.06Å; I87-I119 HydrophobicContact CG2-CG1 4.01Å; I87-I119 HydrophobicContact CG2-CG2 3.46Å; I87-I119 VanDerWaalsContact CG2-CG2 3.46Å; S88-I119 WeakPolarHBondContact CA-O 3.49Å; S88-I119 WeakPolarHBondContact CB-O 3.49Å; V91-I119 HydrophobicContact CG2-CG2 4.42Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CE1-CD1 3.21Å; F115-I119 HydrophobicContact CE1-CG1 4.35Å; F115-I119 HydrophobicContact CE2-CD1 4.2Å; F115-I119 HydrophobicContact CG-CD1 4.42Å; F115-I119 HydrophobicContact CZ-CD1 3.49Å; F115-I119 VanDerWaalsContact CZ-CD1 3.49Å; F115-I119 HydrophobicContact CZ-CG1 4.32Å; F115-I119 PolarHBondContact O-N 3.05Å; L116-I119 PolarHBondContact O-N 2.79Å; R117-I119 VanDerWaalsContact C-N 3.34Å; I119-G122 PolarHBondContact O-N 3.08Å |
| 120 | I | 65.5 | Low | 64.4 | Low | 91 Ų | 91 | 95 Ų | 95 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | -173.8 | -66.5 | 165.6 | 0 | 0 | 0 | 111.2 | V91 L116 R117 G122 | V91-I120 HydrophobicContact CG1-CG2 4.27Å; L116-I120 VanDerWaalsContact O-CG1 3.29Å; L116-I120 WeakPolarHBondContact O-CG1 3.3Å; L116-I120 PolarHBondContact O-N 3.27Å; R117-I120 PolarHBondContact O-N 3.02Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.33Å |
| 121 | R | 63.2 | Low | 63.9 | Low | 161 Ų | 161 | 90.7 Ų | 90.7 | 61% | 0.608 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -79.2 | -8.8 | -178.1 | -65.4 | 176.2 | 176.7 | -177.4 | -3.2 | 113.6 | R117 T297 | R117-R121 WeakPolarHBondContact O-CB 3.29Å; R117-R121 VanDerWaalsContact O-CG 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.47Å; R117-R121 PolarHBondContact O-N 2.88Å; R121-T297 HydrophobicContact CB-CG2 4.46Å |
| 122 | G | 58.1 | Low | 63.2 | Low | 26 Ų | 26 | 89.9 Ų | 89.9 | 27% | 0.268 | 44% | 0.441 | S | S | . | . | trans | 72.2 | 150.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K118 I119 I120 R124 | K118-G122 CarbonylContact O-C 3.57Å; K118-G122 PolarHBondContact O-N 3.34Å; I119-G122 PolarHBondContact O-N 3.08Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.33Å; G122-R124 VanDerWaalsContact C-N 3.27Å; G122-R124 PolarHBondContact O-N 2.97Å | ||
| 123 | S | 51.3 | Low | 62.2 | Low | 68 Ų | 68 | 90.7 Ų | 90.7 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -88.3 | 24.4 | -177.2 | 98.2 | 0 | 0 | 0 | 0 | 114 | P125 | S123-P125 WeakPolarHBondContact O-CD 3.38Š|
| 124 | R | 53.1 | Low | 61.3 | Low | 216 Ų | 216 | 97.9 Ų | 97.9 | 82% | 0.815 | 47% | 0.466 | S | S | * | . | trans | -92 | 96.7 | 175.4 | -80.6 | -174.7 | 177.7 | -176.2 | -0.2 | 109.1 | G122 T126 | G122-R124 VanDerWaalsContact C-N 3.27Å; G122-R124 PolarHBondContact O-N 2.97Å; R124-T126 PolarHBondContact O-N 2.97Å | ||
| 125 | P | 51.6 | Low | 59.8 | Low | 104 Ų | 104 | 106.7 Ų | 106.7 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | trans | -59.8 | 132.9 | 160.5 | 27.3 | -32.2 | 0 | 0 | 0 | 107.1 | S123 Q127 | S123-P125 WeakPolarHBondContact O-CD 3.38Å; P125-Q127 PolarHBondContact O-N 3.02Å | ||
| 126 | T | 51.1 | Low | 58.4 | Low | 52 Ų | 52 | 107.9 Ų | 107.9 | 32% | 0.319 | 50% | 0.5 | S | S | . | . | trans | -50.4 | 112.4 | 164 | 31.9 | 0 | 0 | 0 | 0 | 107.5 | R124 N128 H293 | R124-T126 PolarHBondContact O-N 2.97Å; T126-N128 PolarHBondContact O-N 2.79Å; T126-H293 WeakPolarHBondContact CG2-CD2 3.41Å | ||
| 127 | Q | 52.5 | Low | 57 | Low | 188 Ų | 188 | 109.6 Ų | 109.6 | 88% | 0.879 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -63 | 109.3 | 173.3 | -72 | -175.6 | -17.5 | 0 | 0 | 106.5 | P125 | P125-Q127 PolarHBondContact O-N 3.02Š|
| 128 | N | 55.3 | Low | 55.4 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 68% | 0.684 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 53.3 | 78.9 | 177.3 | -58.9 | -23.4 | 0 | 0 | 0 | 114.5 | T126 L130 | T126-N128 PolarHBondContact O-N 2.79Å; N128-L130 PolarHBondContact O-N 3.43Å |
| 129 | P | 64.1 | Low | 53.8 | Low | 28 Ų | 28 | 111.3 Ų | 111.3 | 18% | 0.182 | 54% | 0.538 | C | S | . | . | trans | -58.5 | 123.2 | 173 | 26 | -33.2 | 0 | 0 | 0 | 110.1 | Q132 E290 | P129-Q132 HydrophobicContact CB-CB 4.37Å; P129-Q132 HydrophobicContact CB-CG 3.84Å; P129-Q132 HydrophobicContact CG-CB 4.19Å; P129-Q132 HydrophobicContact CG-CG 3.58Å; P129-Q132 VanDerWaalsContact CG-NE2 3.27Å; P129-Q132 VanDerWaalsContact CG-OE1 3.3Å; P129-E290 WeakPolarHBondContact CA-OE1 3.44Å; P129-E290 VanDerWaalsContact CB-OE1 3.31Å; P129-E290 WeakPolarHBondContact CB-OE1 3.37Å | ||
| 130 | L | 69 | Low | 52.5 | Low | 36 Ų | 36 | 117 Ų | 117 | 19% | 0.188 | 57% | 0.568 | C | S | . | * | S | Bend | trans | -79.9 | -31.1 | 178.8 | -55.1 | 169.8 | 0 | 0 | 0 | 110 | N128 Q132 L276 K279 V282 M286 L287 E290 | N128-L130 PolarHBondContact O-N 3.43Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 2.92Å; L130-L276 HydrophobicContact CB-CD2 4.38Å; L130-K279 HydrophobicContact CD2-CD 4.26Å; L130-V282 HydrophobicContact CD1-CG1 3.9Å; L130-M286 HydrophobicContact CD1-CE 3.81Å; L130-L287 HydrophobicContact CB-CD2 4.04Å; L130-L287 HydrophobicContact CD1-CD2 4.2Å; L130-E290 WeakPolarHBondContact CA-OE2 3.21Å; L130-E290 WeakPolarHBondContact CB-OE2 3.48Å; L130-E290 PolarHBondContact N-OE1 3.5Å; L130-E290 PolarHBondContact N-OE2 3.42Å |
| 131 | L | 65 | Low | 51.3 | Low | 9 Ų | 9 | 120.4 Ų | 120.4 | 5% | 0.047 | 58% | 0.582 | C | S | . | * | S | Bend | trans | -95.1 | 56.4 | 175.6 | -60.2 | 170.9 | 0 | 0 | 0 | 110.7 | L248 L276 L287 E290 V291 K294 | L131-L248 HydrophobicContact CD2-CB 4.18Å; L131-L276 HydrophobicContact CD2-CD2 3.76Å; L131-L287 HydrophobicContact CD1-CB 4.48Å; L131-L287 HydrophobicContact CD1-CD2 4.36Å; L131-L287 HydrophobicContact CD2-CD2 4.04Å; L131-L287 HydrophobicContact CG-CD2 3.98Å; L131-E290 PolarHBondContact N-OE1 3.31Å; L131-E290 PolarHBondContact N-OE2 3.49Å; L131-V291 HydrophobicContact CD1-CG2 3.68Å; L131-K294 PolarHBondContact O-NZ 2.87Å |
| 132 | Q | 61.4 | Low | 50.2 | Low | 133 Ų | 133 | 118.9 Ų | 118.9 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | trans | -113.3 | 125.2 | 166.8 | -99 | -174.7 | 0.8 | 0 | 0 | 109.8 | P129 L130 R134 | P129-Q132 HydrophobicContact CB-CB 4.37Å; P129-Q132 HydrophobicContact CB-CG 3.84Å; P129-Q132 HydrophobicContact CG-CB 4.19Å; P129-Q132 HydrophobicContact CG-CG 3.58Å; P129-Q132 VanDerWaalsContact CG-NE2 3.27Å; P129-Q132 VanDerWaalsContact CG-OE1 3.3Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 2.92Å; Q132-R134 PolarHBondContact O-N 3.41Å | ||
| 133 | R | 52.9 | Low | 49.7 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | trans | -52.8 | 124.6 | 175.8 | -169.6 | 172.2 | 180 | 171.9 | -0.2 | 110 | R135 D252 | R133-R135 PolarHBondContact O-N 3.02Å; R133-D252 IonicContact NH1-OD1 3.69Å; R133-D252 IonicContact NH1-OD2 3.67Å; R133-D252 PolarHBondContact NH1-OD2 3.45Å | ||
| 134 | R | 49.8 | Very low | 49.5 | Very low | 200 Ų | 200 | 125.8 Ų | 125.8 | 76% | 0.755 | 61% | 0.614 | S | S | * | * | trans | -59.7 | 117.9 | 160.1 | -85.9 | -173.8 | 173.7 | -176.9 | -1.7 | 106.4 | Q132 D136 | Q132-R134 PolarHBondContact O-N 3.41Å; R134-D136 PolarHBondContact O-N 3.34Å | ||
| 135 | R | 42 | Very low | 49.2 | Very low | 238 Ų | 238 | 116.3 Ų | 116.3 | 90% | 0.898 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 4.1 | -174.5 | -79.3 | -175.4 | -167.6 | 169.1 | 4.3 | 115 | R133 | R133-R135 PolarHBondContact O-N 3.02Š|
| 136 | D | 42.2 | Very low | 49.2 | Very low | 144 Ų | 144 | 114 Ų | 114 | 77% | 0.77 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 2.2 | -166.5 | -56 | -37.6 | 0 | 0 | 0 | 114.6 | R134 | R134-D136 PolarHBondContact O-N 3.34Š|
| 137 | S | 40.2 | Very low | 49.1 | Very low | 73 Ų | 73 | 115.5 Ų | 115.5 | 51% | 0.51 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -91.9 | 109.5 | 178.9 | -49.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 138 | K | 35.3 | Very low | 49 | Very low | 183 Ų | 183 | 109.4 Ų | 109.4 | 80% | 0.796 | 55% | 0.553 | S | S | * | * | trans | -42.1 | 146.1 | 171.9 | -70.5 | 177 | 176.9 | 178.6 | 0 | 112.3 | D140 | K138-D140 PolarHBondContact O-N 3.05Š| ||
| 139 | P | 38.2 | Very low | 48.7 | Very low | 114 Ų | 114 | 103.4 Ų | 103.4 | 74% | 0.74 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 6.6 | -170.8 | 27.2 | -34.1 | 0 | 0 | 0 | 116.6 | ||
| 140 | D | 39.9 | Very low | 47.8 | Very low | 150 Ų | 150 | 108.3 Ų | 108.3 | 80% | 0.802 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 12.1 | -164.3 | -88.6 | -18.7 | 0 | 0 | 0 | 117.1 | K138 | K138-D140 PolarHBondContact O-N 3.05Š|
| 141 | Q | 41.9 | Very low | 46.4 | Very low | 163 Ų | 163 | 107.9 Ų | 107.9 | 76% | 0.762 | 54% | 0.54 | S | S | * | . | trans | -136.7 | 76 | 172.7 | -67.2 | -169 | 41.6 | 0 | 0 | 112 | K143 | Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 3.38Å | ||
| 142 | V | 39.6 | Very low | 45.4 | Very low | 130 Ų | 130 | 110.1 Ų | 110.1 | 79% | 0.788 | 55% | 0.551 | S | S | * | * | trans | -73.1 | 91.1 | 165.4 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | T144 | V142-T144 PolarHBondContact O-N 3.18Š| ||
| 143 | K | 48.1 | Very low | 44.3 | Very low | 130 Ų | 130 | 104 Ų | 104 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | trans | -61.6 | 109.4 | 167.8 | -71 | 178.6 | -175.9 | 169.6 | 0 | 107.5 | Q141 L145 | Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 3.38Å; K143-L145 PolarHBondContact O-N 3.21Å | ||
| 144 | T | 45.7 | Very low | 43.7 | Very low | 109 Ų | 109 | 104 Ų | 104 | 67% | 0.669 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 122.6 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 108 | V142 | V142-T144 PolarHBondContact O-N 3.18Š|
| 145 | L | 48.4 | Very low | 43.2 | Very low | 17 Ų | 17 | 103.2 Ų | 103.2 | 9% | 0.089 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 135.9 | 175.9 | -76 | 171.3 | 0 | 0 | 0 | 110.5 | K143 A147 V149 L247 E256 I260 | K143-L145 PolarHBondContact O-N 3.21Å; L145-A147 PolarHBondContact O-N 2.9Å; L145-V149 HydrophobicContact CD2-CG1 4.49Å; L145-L247 HydrophobicContact CD2-CD1 3.65Å; L145-L247 HydrophobicContact CD2-CD2 3.35Å; L145-L247 HydrophobicContact CD2-CG 3.4Å; L145-E256 HydrophobicContact CD1-CB 3.74Å; L145-E256 HydrophobicContact CD1-CG 3.53Å; L145-E256 VanDerWaalsContact CD1-OE1 3.28Å; L145-E256 WeakPolarHBondContact CD1-OE1 3.42Å; L145-E256 WeakPolarHBondContact CD1-OE2 3.34Å; L145-I260 HydrophobicContact CD2-CD1 4.16Å |
| 146 | P | 50.7 | Low | 43.5 | Very low | 54 Ų | 54 | 93.3 Ų | 93.3 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 133.2 | 171.8 | -27.1 | 35.3 | 0 | 0 | 0 | 110.3 | F148 V149 R150 | P146-F148 HydrophobicContact CB-CD1 3.36Å; P146-F148 HydrophobicContact CB-CE1 3.29Å; P146-F148 HydrophobicContact CB-CG 4.45Å; P146-F148 HydrophobicContact CB-CZ 4.35Å; P146-F148 HydrophobicContact CG-CD1 4.41Å; P146-F148 HydrophobicContact CG-CE1 3.87Å; P146-F148 PolarHBondContact O-N 3.22Å; P146-V149 PolarHBondContact O-N 3.49Å; P146-R150 PolarHBondContact O-N 2.94Å |
| 147 | A | 49.1 | Very low | 43.6 | Very low | 84 Ų | 84 | 93.7 Ų | 93.7 | 69% | 0.694 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -54.4 | -23.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L145 R150 G151 | L145-A147 PolarHBondContact O-N 2.9Å; A147-R150 PolarHBondContact O-N 2.79Å; A147-G151 PolarHBondContact O-N 3.21Å |
| 148 | F | 50.4 | Low | 43.4 | Very low | 60 Ų | 60 | 92.7 Ų | 92.7 | 26% | 0.263 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.7 | 81.7 | -96.7 | 0 | 0 | 0 | 112.7 | P146 M152 V239 L244 F263 | P146-F148 HydrophobicContact CB-CD1 3.36Å; P146-F148 HydrophobicContact CB-CE1 3.29Å; P146-F148 HydrophobicContact CB-CG 4.45Å; P146-F148 HydrophobicContact CB-CZ 4.35Å; P146-F148 HydrophobicContact CG-CD1 4.41Å; P146-F148 HydrophobicContact CG-CE1 3.87Å; P146-F148 PolarHBondContact O-N 3.22Å; F148-M152 WeakPolarHBondContact O-CG 3.33Å; F148-M152 PolarHBondContact O-N 3.42Å; F148-M152 VanDerWaalsContact O-N 3.12Å; F148-V239 HydrophobicContact CE1-CG2 3.78Å; F148-V239 HydrophobicContact CZ-CB 4.46Å; F148-V239 HydrophobicContact CZ-CG1 4.22Å; F148-V239 HydrophobicContact CZ-CG2 3.89Å; F148-L244 HydrophobicContact CZ-CD2 4.3Å; F148-F263 HydrophobicContact CE2-CE2 4.48Å |
| 149 | V | 49.9 | Very low | 43.7 | Very low | 3 Ų | 3 | 87.3 Ų | 87.3 | 2% | 0.018 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70.5 | -42.9 | 176.7 | -177 | 0 | 0 | 0 | 0 | 109.5 | L145 P146 G151 M152 S153 D259 I260 | L145-V149 HydrophobicContact CD2-CG1 4.49Å; P146-V149 PolarHBondContact O-N 3.49Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 2.97Å; V149-M152 WeakPolarHBondContact O-CB 3.4Å; V149-M152 PolarHBondContact O-N 2.9Å; V149-M152 VanDerWaalsContact O-N 3.12Å; V149-S153 PolarHBondContact O-N 3.12Å; V149-D259 HydrophobicContact CG1-CB 4.12Å; V149-I260 HydrophobicContact CG1-CD1 4.48Å; V149-I260 HydrophobicContact CG1-CG1 3.74Å |
| 150 | R | 43.5 | Very low | 43.6 | Very low | 130 Ų | 130 | 88.1 Ų | 88.1 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 178.6 | -150.9 | 173.7 | -162.4 | 171.3 | 2.7 | 112.4 | P146 A147 M152 S153 Q154 | P146-R150 PolarHBondContact O-N 2.94Å; A147-R150 PolarHBondContact O-N 2.79Å; R150-M152 VanDerWaalsContact C-N 3.32Å; R150-S153 PolarHBondContact O-N 2.66Å; R150-Q154 WeakPolarHBondContact O-CG 3.26Å; R150-Q154 PolarHBondContact O-N 2.71Å |
| 151 | G | 41.1 | Very low | 43.6 | Very low | 27 Ų | 27 | 83.2 Ų | 83.2 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.4 | -28.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A147 V149 S153 R155 | A147-G151 PolarHBondContact O-N 3.21Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 2.97Å; G151-S153 VanDerWaalsContact C-N 3.32Å; G151-R155 WeakPolarHBondContact O-CD 3.35Å; G151-R155 WeakPolarHBondContact O-CG 3.32Å; G151-R155 PolarHBondContact O-N 3.12Å |
| 152 | M | 42.5 | Very low | 43.3 | Very low | 56 Ų | 56 | 80 Ų | 80 | 28% | 0.276 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.1 | -33.6 | 170.5 | -74.7 | 179.6 | 159.1 | 0 | 0 | 111.9 | F148 V149 R150 R156 D259 F263 | F148-M152 WeakPolarHBondContact O-CG 3.33Å; F148-M152 PolarHBondContact O-N 3.42Å; F148-M152 VanDerWaalsContact O-N 3.12Å; V149-M152 WeakPolarHBondContact O-CB 3.4Å; V149-M152 PolarHBondContact O-N 2.9Å; V149-M152 VanDerWaalsContact O-N 3.12Å; R150-M152 VanDerWaalsContact C-N 3.32Å; M152-R156 WeakPolarHBondContact O-CD 3.5Å; M152-R156 VanDerWaalsContact O-CG 3.29Å; M152-R156 WeakPolarHBondContact O-CG 3.48Å; M152-R156 PolarHBondContact O-NE 3.13Å; M152-D259 HydrophobicContact CB-CB 4.48Å; M152-D259 VanDerWaalsContact CB-OD2 3.29Å; M152-D259 WeakPolarHBondContact CB-OD2 3.05Å; M152-F263 HydrophobicContact CE-CD2 4.37Å |
| 153 | S | 39.4 | Very low | 43.4 | Very low | 4 Ų | 4 | 78.2 Ų | 78.2 | 3% | 0.028 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -80.9 | -44.6 | -176.5 | 178 | 0 | 0 | 0 | 0 | 112.1 | V149 R150 G151 R155 R156 D259 | V149-S153 PolarHBondContact O-N 3.12Å; R150-S153 PolarHBondContact O-N 2.66Å; G151-S153 VanDerWaalsContact C-N 3.32Å; S153-R155 VanDerWaalsContact C-N 3.33Å; S153-R155 PolarHBondContact O-N 3.24Å; S153-R156 VanDerWaalsContact O-CB 3.3Å; S153-R156 WeakPolarHBondContact O-CB 3.43Å; S153-R156 PolarHBondContact O-N 3.35Å; S153-D259 WeakPolarHBondContact CA-OD2 3.06Å; S153-D259 VanDerWaalsContact CB-OD2 3.25Å; S153-D259 WeakPolarHBondContact CB-OD2 3.26Å; S153-D259 PolarHBondContact N-OD2 2.75Å |
| 154 | Q | 39.1 | Very low | 43 | Very low | 116 Ų | 116 | 77.9 Ų | 77.9 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 178.8 | -69.9 | -67.8 | -54.3 | 0 | 0 | 112.9 | R150 R156 R157 | R150-Q154 WeakPolarHBondContact O-CG 3.26Å; R150-Q154 PolarHBondContact O-N 2.71Å; Q154-R156 PolarHBondContact O-N 3.06Å; Q154-R156 VanDerWaalsContact O-N 3.13Å; Q154-R157 PolarHBondContact O-N 3.12Å |
| 155 | R | 40.6 | Very low | 42.6 | Very low | 183 Ų | 183 | 77 Ų | 77 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17 | 175.6 | -74.4 | 176.7 | -175.1 | 177.5 | 3 | 113.6 | G151 S153 S374 | G151-R155 WeakPolarHBondContact O-CD 3.35Å; G151-R155 WeakPolarHBondContact O-CG 3.32Å; G151-R155 PolarHBondContact O-N 3.12Å; S153-R155 VanDerWaalsContact C-N 3.33Å; S153-R155 PolarHBondContact O-N 3.24Å; R155-S374 VanDerWaalsContact O-CB 3.26Å; R155-S374 WeakPolarHBondContact O-CB 3.24Å |
| 156 | R | 48.7 | Very low | 42.3 | Very low | 30 Ų | 30 | 80.6 Ų | 80.6 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -17 | -179.7 | -61.4 | 163.6 | -177.9 | -100.9 | 9.9 | 113.3 | M152 S153 Q154 D259 E262 W302 Y306 K376 | M152-R156 WeakPolarHBondContact O-CD 3.5Å; M152-R156 VanDerWaalsContact O-CG 3.29Å; M152-R156 WeakPolarHBondContact O-CG 3.48Å; M152-R156 PolarHBondContact O-NE 3.13Å; S153-R156 VanDerWaalsContact O-CB 3.3Å; S153-R156 WeakPolarHBondContact O-CB 3.43Å; S153-R156 PolarHBondContact O-N 3.35Å; Q154-R156 PolarHBondContact O-N 3.06Å; Q154-R156 VanDerWaalsContact O-N 3.13Å; R156-D259 IonicContact CZ-OD1 2.82Å; R156-D259 IonicContact CZ-OD2 3.68Å; R156-D259 VanDerWaalsContact NE-CG 3.31Å; R156-D259 IonicContact NE-OD1 3.69Å; R156-D259 PolarHBondContact NE-OD1 3.26Å; R156-D259 IonicContact NE-OD2 3.3Å; R156-D259 PolarHBondContact NE-OD2 3.11Å; R156-D259 VanDerWaalsContact NE-OD2 3.12Å; R156-D259 IonicContact NH1-OD1 3.74Å; R156-D259 VanDerWaalsContact NH2-CG 3.3Å; R156-D259 IonicContact NH2-OD1 2.88Å; R156-D259 PolarHBondContact NH2-OD1 3.09Å; R156-D259 IonicContact NH2-OD2 2.93Å; R156-E262 IonicContact NH2-OE2 2.79Å; R156-E262 PolarHBondContact NH2-OE2 2.85Å; R156-W302 HydrophobicContact CB-CH2 4.48Å; R156-W302 HydrophobicContact CB-CZ3 4.31Å; R156-Y306 VanDerWaalsContact NH1-CD2 3.28Å; R156-Y306 PolarHBondContact NH1-OH 3.37Å; R156-Y306 VanDerWaalsContact NH2-CZ 3.34Å; R156-Y306 PolarHBondContact NH2-OH 2.87Å; R156-K376 HydrophobicContact CG-CD 4.22Å |
| 157 | R | 43.2 | Very low | 41.7 | Very low | 152 Ų | 152 | 81.1 Ų | 81.1 | 57% | 0.574 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -26.7 | -172 | -73.2 | 179.6 | 156.5 | -149.1 | -9.2 | 113.6 | Q154 E255 | Q154-R157 PolarHBondContact O-N 3.12Å; R157-E255 IonicContact CZ-OE1 2.66Å; R157-E255 IonicContact CZ-OE2 3.29Å; R157-E255 IonicContact NE-OE1 3.72Å; R157-E255 IonicContact NE-OE2 2.68Å; R157-E255 PolarHBondContact NE-OE2 2.82Å; R157-E255 VanDerWaalsContact NH2-CD 3.29Å; R157-E255 IonicContact NH2-OE1 2.71Å; R157-E255 PolarHBondContact NH2-OE1 3.3Å; R157-E255 IonicContact NH2-OE2 3.06Å; R157-E255 PolarHBondContact NH2-OE2 3.45Å; R157-E255 VanDerWaalsContact NH2-OE2 3.13Å |
| 158 | S | 36.7 | Very low | 41.2 | Very low | 52 Ų | 52 | 85.2 Ų | 85.2 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | trans | -91.3 | 112.4 | -179.4 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | L160 S374 | S158-L160 PolarHBondContact O-N 3.21Å; S158-S374 WeakPolarHBondContact O-CB 3.46Å; S158-S374 PolarHBondContact O-OG 3.3Å | ||
| 159 | M | 39.9 | Very low | 40.5 | Very low | 70 Ų | 70 | 89 Ų | 89 | 35% | 0.345 | 45% | 0.452 | S | S | . | . | trans | -72.9 | 80.1 | 152.5 | -69.4 | -167.6 | -65.6 | 0 | 0 | 107 | L161 V373 L421 M425 | M159-L161 PolarHBondContact O-N 3.14Å; M159-L161 VanDerWaalsContact O-N 3.14Å; M159-V373 HydrophobicContact CB-CG1 4Å; M159-V373 HydrophobicContact CG-CG1 3.61Å; M159-V373 HydrophobicContact SD-CG1 3.69Å; M159-L421 HydrophobicContact CE-CB 4.46Å; M159-M425 HydrophobicContact CE-CE 4.44Å; M159-M425 HydrophobicContact CE-SD 3.19Å; M159-M425 WeakPolarHBondContact CE-SD 3.42Å | ||
| 160 | L | 37.4 | Very low | 39.7 | Very low | 131 Ų | 131 | 97.5 Ų | 97.5 | 69% | 0.686 | 49% | 0.489 | S | S | * | . | trans | -80 | 95.4 | 173.6 | -157.7 | 95.4 | 0 | 0 | 0 | 107.3 | S158 | S158-L160 PolarHBondContact O-N 3.21Š| ||
| 161 | L | 40.1 | Very low | 39.2 | Very low | 47 Ų | 47 | 97.4 Ų | 97.4 | 25% | 0.246 | 51% | 0.505 | C | S | . | . | trans | -85.2 | 133 | 171.4 | -70.2 | 154.8 | 0 | 0 | 0 | 108.6 | M159 P163 V373 A422 | M159-L161 PolarHBondContact O-N 3.14Å; M159-L161 VanDerWaalsContact O-N 3.14Å; L161-P163 VanDerWaalsContact O-CD 3.32Å; L161-P163 WeakPolarHBondContact O-CD 3.37Å; L161-V373 HydrophobicContact CD2-CG2 3.57Å; L161-A422 HydrophobicContact CD1-CB 3.06Å; L161-A422 HydrophobicContact CG-CB 4.47Å | ||
| 162 | D | 35.3 | Very low | 38.7 | Very low | 95 Ų | 95 | 101.3 Ų | 101.3 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | trans | -63.6 | 118.6 | 171.9 | -156.2 | -26.7 | 0 | 0 | 0 | 108.2 | N164 E165 | D162-N164 PolarHBondContact O-N 3.42Å; D162-E165 PolarHBondContact O-N 3.12Å; D162-E165 VanDerWaalsContact O-N 3.08Å | ||
| 163 | P | 40.6 | Very low | 38.2 | Very low | 93 Ų | 93 | 103.6 Ų | 103.6 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -54.5 | -22.3 | -176.3 | -26.2 | 34 | 0 | 0 | 0 | 113.8 | L161 E165 T166 | L161-P163 VanDerWaalsContact O-CD 3.32Å; L161-P163 WeakPolarHBondContact O-CD 3.37Å; P163-E165 PolarHBondContact O-N 2.97Å; P163-T166 PolarHBondContact O-N 3.44Å; P163-T166 PolarHBondContact O-OG1 3.08Å |
| 164 | N | 39.9 | Very low | 38 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 66% | 0.658 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.7 | -22.8 | -179.7 | -77.7 | -20.1 | 0 | 0 | 0 | 114.6 | D162 | D162-N164 PolarHBondContact O-N 3.42Å |
| 165 | E | 38.6 | Very low | 37.7 | Very low | 90 Ų | 90 | 110.5 Ų | 110.5 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -83.2 | -22.5 | 177.9 | -67.5 | -175.3 | 166.5 | 0 | 0 | 112.3 | D162 P163 Q372 | D162-E165 PolarHBondContact O-N 3.12Å; D162-E165 VanDerWaalsContact O-N 3.08Å; P163-E165 PolarHBondContact O-N 2.97Å; E165-Q372 PolarHBondContact OE1-NE2 3.01Å |
| 166 | T | 41 | Very low | 37.2 | Very low | 92 Ų | 92 | 110.5 Ų | 110.5 | 56% | 0.564 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -83.4 | -16.9 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | P163 | P163-T166 PolarHBondContact O-N 3.44Å; P163-T166 PolarHBondContact O-OG1 3.08Å |
| 167 | A | 38.5 | Very low | 36.4 | Very low | 66 Ų | 66 | 117.5 Ų | 117.5 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -80.4 | -18 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N169 | A167-N169 PolarHBondContact O-N 3.08Š|
| 168 | Q | 37.6 | Very low | 35.8 | Very low | 169 Ų | 169 | 114.7 Ų | 114.7 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -85 | -1.1 | -177 | -67.6 | -166.9 | -23.2 | 0 | 0 | 114.8 | ||
| 169 | N | 36.5 | Very low | 35.7 | Very low | 141 Ų | 141 | 119.8 Ų | 119.8 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -112.9 | 39.4 | 177.7 | -73.6 | -36.9 | 0 | 0 | 0 | 112.9 | A167 | A167-N169 PolarHBondContact O-N 3.08Š|
| 170 | K | 33.4 | Very low | 35.5 | Very low | 181 Ų | 181 | 121.3 Ų | 121.3 | 79% | 0.787 | 70% | 0.701 | S | S | * | * | trans | -86.6 | 129.4 | 162.4 | -89 | -174.1 | 173.7 | -175.7 | 0 | 109.1 | A172 | K170-A172 PolarHBondContact O-N 3.39Å; K170-A172 VanDerWaalsContact O-N 3.09Å | ||
| 171 | P | 33.1 | Very low | 35.2 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -66.4 | 112 | 170.1 | 27.9 | -29.7 | 0 | 0 | 0 | 107.8 | S173 | P171-S173 PolarHBondContact O-N 3.41Å; P171-S173 VanDerWaalsContact O-N 3.1Å | ||
| 172 | A | 30.5 | Very low | 35 | Very low | 110 Ų | 110 | 128 Ų | 128 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | -74.9 | 94.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109 | K170 | K170-A172 PolarHBondContact O-N 3.39Å; K170-A172 VanDerWaalsContact O-N 3.09Å | ||
| 173 | S | 32.9 | Very low | 34.9 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -150.8 | 95.1 | 158.1 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | P171 | P171-S173 PolarHBondContact O-N 3.41Å; P171-S173 VanDerWaalsContact O-N 3.1Å | ||
| 174 | E | 33.6 | Very low | 34.7 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | 178 | 117.3 | 144.2 | -99 | 167 | -162.5 | 0 | 0 | 110 | ||||
| 175 | G | 32.4 | Very low | 34.4 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 83.2 | 84.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 176 | Q | 31.7 | Very low | 34.1 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | 36 | 108.3 | 125 | -71.6 | 173.1 | -12.2 | 0 | 0 | 119.1 | |||||
| 177 | M | 30.9 | Very low | 34 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | 148.5 | 125.5 | 96.2 | -103.7 | 170 | 68.5 | 0 | 0 | 111.5 | |||||
| 178 | S | 31.2 | Very low | 33.8 | Very low | 93 Ų | 93 | 148 Ų | 148 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -69.2 | 159.6 | -178.7 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 179 | N | 34.6 | Very low | 33.8 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | -169.2 | 123.5 | 111.6 | -89.4 | -13.1 | 0 | 0 | 0 | 112.7 | |||||
| 180 | A | 35 | Very low | 33.9 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -85.5 | 153.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 181 | K | 32.1 | Very low | 34.2 | Very low | 204 Ų | 204 | 140.7 Ų | 140.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -46.1 | 137.7 | 173.7 | -61.8 | 164.6 | 174.6 | 176 | 0 | 113.5 | ||||
| 182 | S | 36.6 | Very low | 34.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | -174.4 | 117.8 | 124.7 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 183 | D | 32.4 | Very low | 35.1 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -50.2 | 134.2 | 156 | -70.5 | -61.3 | 0 | 0 | 0 | 110.3 | ||||
| 184 | V | 36.5 | Very low | 35.3 | Very low | 135 Ų | 135 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 180 | 108.7 | 134 | 165.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 185 | R | 34.2 | Very low | 35.5 | Very low | 207 Ų | 207 | 135.5 Ų | 135.5 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 49.7 | 111.7 | 135.1 | -116.3 | 171 | -171.7 | 173.5 | 1.7 | 120.2 | ||||
| 186 | R | 32 | Very low | 35.6 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | 67 | 120.5 | 127.8 | -78.4 | -175.2 | -175.9 | 171.4 | -1.2 | 120.8 | |||||
| 187 | H | 38.4 | Very low | 35.6 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 80.1 | 101.5 | 141.1 | -68.3 | -60.1 | 0 | 0 | 0 | 120.8 | ||||
| 188 | S | 34.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 53.1 | 125.1 | 127.7 | 52.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 189 | G | 37.3 | Very low | 36.1 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 146.8 | 97.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 190 | S | 39.3 | Very low | 36.1 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -5.2 | 142 | 161.3 | 65.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 191 | N | 40.4 | Very low | 36.2 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 61.6 | 146.5 | 132.4 | -60.9 | -8.4 | 0 | 0 | 0 | 120 | ||||
| 192 | A | 42.6 | Very low | 36.3 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | cis | -175.1 | 160.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 193 | D | 38.1 | Very low | 36.2 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | 97.4 | 104.2 | 142.1 | -132.3 | 25.1 | 0 | 0 | 0 | 122.5 | ||||
| 194 | S | 38.1 | Very low | 36.1 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | 61.6 | 133.9 | 123.8 | -63.3 | 0 | 0 | 0 | 0 | 125 | |||||
| 195 | G | 36.9 | Very low | 35.9 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 156.4 | 110.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 196 | R | 34.5 | Very low | 35.7 | Very low | 240 Ų | 240 | 139.6 Ų | 139.6 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 170.5 | 171.8 | -65.1 | 166.6 | 158.3 | 166.6 | -6.8 | 111.8 | ||||
| 197 | T | 33.4 | Very low | 35.7 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | 178.9 | 150.3 | 40.6 | -20.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 198 | S | 34.3 | Very low | 35.3 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 73.2 | 148.6 | 136.6 | 56.3 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 199 | Q | 37.6 | Very low | 35.4 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 87 | 142.7 | 161.5 | -72.3 | -179.6 | -29.4 | 0 | 0 | 118.1 | ||||
| 200 | D | 34 | Very low | 35.1 | Very low | 130 Ų | 130 | 136 Ų | 136 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -175.4 | 160.6 | -13.4 | -128.7 | -22.5 | 0 | 0 | 0 | 106.9 | ||||
| 201 | R | 36.8 | Very low | 34.5 | Very low | 220 Ų | 220 | 139.4 Ų | 139.4 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | 85.8 | 121.9 | 156.4 | -65.6 | 172.2 | -175.4 | -169.3 | -0.1 | 124.4 | ||||
| 202 | D | 34 | Very low | 34 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 25.3 | 122.3 | 137.2 | -59.1 | -34.3 | 0 | 0 | 0 | 122.2 | ||||
| 203 | D | 35.6 | Very low | 33.2 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | -166.6 | 152 | 126.9 | -159.2 | 11.8 | 0 | 0 | 0 | 112.9 | |||||
| 204 | N | 29.7 | Very low | 32.9 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -58.2 | 142.5 | 178.2 | -63.2 | -77.2 | 0 | 0 | 0 | 114.3 | ||||
| 205 | G | 31.7 | Very low | 32.3 | Very low | 70 Ų | 70 | 146.5 Ų | 146.5 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | 178.5 | 101.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P207 | G205-P207 WeakPolarHBondContact O-CD 3.31Š| ||
| 206 | I | 29.8 | Very low | 32.2 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.6 | 166.7 | -58.7 | 167.9 | 0 | 0 | 0 | 107.9 | ||
| 207 | P | 33.7 | Very low | 31.7 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 138.1 | 166.5 | 31.6 | -21.3 | 0 | 0 | 0 | 110.5 | G205 | G205-P207 WeakPolarHBondContact O-CD 3.31Š|
| 208 | P | 30.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 140.6 | 179.6 | 33.6 | -31.5 | 0 | 0 | 0 | 110.5 | ||
| 209 | V | 35.8 | Very low | 31.2 | Very low | 144 Ų | 144 | 157.3 Ų | 157.3 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 133.6 | 177.9 | -162.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 210 | P | 30.1 | Very low | 30.7 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 71% | 0.714 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 141 | -163.2 | -5.4 | 25.2 | 0 | 0 | 0 | 113.9 | ||
| 211 | L | 27.7 | Very low | 30.4 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.4 | 162 | -95.3 | 136 | 0 | 0 | 0 | 110.7 | ||
| 212 | L | 29.8 | Very low | 30.1 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | trans | -146.8 | 114 | 157 | -107.2 | 119.9 | 0 | 0 | 0 | 112.8 | ||||
| 213 | K | 25.8 | Very low | 29.8 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -72.7 | 141.4 | 153.6 | -88.4 | 170.6 | 171.5 | 171.3 | 0 | 108.4 | ||||
| 214 | S | 31.7 | Very low | 29.6 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -155.6 | 128 | 150.8 | 44.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 215 | Q | 25.8 | Very low | 29.5 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -72.2 | 147.8 | 157.7 | -65.7 | 171.1 | -16 | 0 | 0 | 108.7 | ||||
| 216 | S | 33.2 | Very low | 29.2 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -160.5 | 127.8 | 153.6 | -70.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 217 | Q | 25.4 | Very low | 28.9 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | trans | -74.5 | 148.1 | 169.4 | -64.3 | 165.5 | -61 | 0 | 0 | 110.4 | ||||
| 218 | E | 31.1 | Very low | 28.8 | Very low | 203 Ų | 203 | 149.7 Ų | 149.7 | 95% | 0.949 | 84% | 0.841 | S | S | * | * | trans | -144.7 | 145.7 | 145.9 | -78.5 | -154.6 | 148 | 0 | 0 | 112.2 | ||||
| 219 | R | 26 | Very low | 29 | Very low | 254 Ų | 254 | 150.5 Ų | 150.5 | 96% | 0.958 | 85% | 0.846 | S | S | * | * | trans | -93.5 | 142.9 | -170.1 | -68.4 | 177.3 | -177.5 | -168.9 | 0.6 | 111.9 | ||||
| 220 | G | 25.8 | Very low | 28.7 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | 84.6 | 108.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 221 | S | 29.4 | Very low | 28.6 | Very low | 119 Ų | 119 | 155.8 Ų | 155.8 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | -174 | 137.4 | 107.7 | -157.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 222 | P | 29.4 | Very low | 28.7 | Very low | 101 Ų | 101 | 158 Ų | 158 | 66% | 0.656 | 85% | 0.848 | S | S | * | * | trans | -96.9 | 164.1 | -169.5 | 38 | -32 | 0 | 0 | 0 | 113.3 | ||||
| 223 | N | 28.3 | Very low | 28.7 | Very low | 160 Ų | 160 | 158.2 Ų | 158.2 | 86% | 0.856 | 85% | 0.85 | S | S | * | * | trans | 95.2 | 83.4 | 165.5 | -52.2 | -21.2 | 0 | 0 | 0 | 117.1 | ||||
| 224 | S | 31.8 | Very low | 29.1 | Very low | 129 Ų | 129 | 155.1 Ų | 155.1 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | -158.2 | 137.1 | 128.5 | -159.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 225 | A | 26.8 | Very low | 29.4 | Very low | 97 Ų | 97 | 157.6 Ų | 157.6 | 80% | 0.802 | 85% | 0.846 | S | S | * | * | trans | -75.2 | 123.7 | -163 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 226 | C | 26.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 155.6 Ų | 155.6 | 87% | 0.865 | 84% | 0.835 | S | S | * | * | trans | -139.8 | 117 | 155.1 | -100.8 | 0 | 0 | 0 | 0 | 108.6 | S228 | C226-S228 PolarHBondContact O-N 3.41Š| ||
| 227 | R | 23.8 | Very low | 30.9 | Very low | 263 Ų | 263 | 160.8 Ų | 160.8 | 99% | 0.992 | 84% | 0.836 | S | S | * | * | trans | -71.4 | 112.1 | -179.6 | -78.4 | 174.1 | 170 | -179 | -3.2 | 110.4 | ||||
| 228 | S | 29.9 | Very low | 32.1 | Very low | 96 Ų | 96 | 160.3 Ų | 160.3 | 67% | 0.671 | 83% | 0.834 | S | S | * | * | trans | -136.5 | 128.7 | 159.5 | 53.5 | 0 | 0 | 0 | 0 | 108.2 | C226 T230 | C226-S228 PolarHBondContact O-N 3.41Å; S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 VanDerWaalsContact O-N 3.14Å | ||
| 229 | P | 34.3 | Very low | 33.4 | Very low | 139 Ų | 139 | 153.2 Ų | 153.2 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -64.1 | 121.8 | -170.5 | -11.2 | 22.9 | 0 | 0 | 0 | 111.1 | ||||
| 230 | T | 29.8 | Very low | 35.2 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -40.9 | 131.4 | 177.3 | -27.5 | 0 | 0 | 0 | 0 | 113.7 | S228 R232 | S228-T230 PolarHBondContact O-N 3.36Å; S228-T230 VanDerWaalsContact O-N 3.14Å; T230-R232 PolarHBondContact O-N 3.48Å | ||
| 231 | R | 28.4 | Very low | 37.4 | Very low | 233 Ų | 233 | 144 Ų | 144 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -37.2 | 118 | 158.5 | -73 | 174.7 | 169.9 | -178.4 | -3.5 | 111.1 | ||||
| 232 | R | 30.6 | Very low | 39.6 | Very low | 218 Ų | 218 | 142.1 Ų | 142.1 | 82% | 0.823 | 74% | 0.736 | S | S | * | * | trans | -110 | 108 | 151.9 | -77.1 | -174.4 | 178.4 | 127.9 | -1.7 | 107.6 | T230 L234 | T230-R232 PolarHBondContact O-N 3.48Å; R232-L234 HydrophobicContact CB-CD1 4.37Å; R232-L234 HydrophobicContact CB-CG 4.47Å; R232-L234 PolarHBondContact O-N 3.34Å; R232-L234 VanDerWaalsContact O-N 3.14Å | ||
| 233 | N | 28.4 | Very low | 42 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | trans | -62.3 | 104.7 | 159.1 | -74.3 | -33.2 | 0 | 0 | 0 | 106.5 | ||||
| 234 | L | 35.2 | Very low | 44.4 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | trans | -106.2 | 125.8 | 171.5 | -85.6 | 155.2 | 0 | 0 | 0 | 107.6 | R232 F236 | R232-L234 HydrophobicContact CB-CD1 4.37Å; R232-L234 HydrophobicContact CB-CG 4.47Å; R232-L234 PolarHBondContact O-N 3.34Å; R232-L234 VanDerWaalsContact O-N 3.14Å; L234-F236 WeakPolarHBondContact O-CD2 3.31Å; L234-F236 WeakPolarHBondContact O-CE2 3.25Å | ||
| 235 | D | 37 | Very low | 46.7 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -70.6 | 142.4 | -170.3 | -141.3 | -19.7 | 0 | 0 | 0 | 112.3 | R237 | D235-R237 PolarHBondContact O-N 3.21Š| ||
| 236 | F | 41.3 | Very low | 49.3 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 66% | 0.658 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 29.6 | -147.9 | -82.6 | -92 | 0 | 0 | 0 | 116.4 | L234 | L234-F236 WeakPolarHBondContact O-CD2 3.31Å; L234-F236 WeakPolarHBondContact O-CE2 3.25Å |
| 237 | R | 49.8 | Very low | 51.9 | Low | 232 Ų | 232 | 124 Ų | 124 | 88% | 0.875 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -7.4 | -167.4 | -79.5 | -175 | 170.4 | -170.8 | -2.7 | 118.9 | D235 | D235-R237 PolarHBondContact O-N 3.21Š|
| 238 | E | 50.8 | Low | 54.7 | Low | 180 Ų | 180 | 111.5 Ų | 111.5 | 84% | 0.841 | 55% | 0.551 | S | S | * | * | trans | -124 | 14.4 | -168.3 | -72.1 | -176.7 | 168.9 | 0 | 0 | 116.7 | Q240 | E238-Q240 PolarHBondContact O-N 2.89Š| ||
| 239 | V | 58.6 | Low | 57 | Low | 54 Ų | 54 | 109.7 Ų | 109.7 | 33% | 0.327 | 53% | 0.533 | S | S | . | . | trans | -68.9 | 111.9 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | F148 C241 L244 | F148-V239 HydrophobicContact CE1-CG2 3.78Å; F148-V239 HydrophobicContact CZ-CB 4.46Å; F148-V239 HydrophobicContact CZ-CG1 4.22Å; F148-V239 HydrophobicContact CZ-CG2 3.89Å; V239-C241 PolarHBondContact O-N 3.41Å; V239-L244 HydrophobicContact CG1-CD1 3.88Å; V239-L244 HydrophobicContact CG1-CD2 4.16Å; V239-L244 HydrophobicContact CG1-CG 3.77Å | ||
| 240 | Q | 64.4 | Low | 59.3 | Low | 120 Ų | 120 | 106.2 Ų | 106.2 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | trans | -63.7 | 129.8 | 180 | -59.6 | -157.5 | 7.3 | 0 | 0 | 109.3 | E238 T242 E243 L244 | E238-Q240 PolarHBondContact O-N 2.89Å; Q240-T242 VanDerWaalsContact CB-OG1 3.3Å; Q240-T242 WeakPolarHBondContact CB-OG1 3.47Å; Q240-T242 PolarHBondContact O-N 3.21Å; Q240-T242 PolarHBondContact OE1-OG1 3.28Å; Q240-E243 HydrophobicContact CB-CG 4.26Å; Q240-E243 PolarHBondContact O-N 3.31Å; Q240-L244 PolarHBondContact O-N 3.43Å | ||
| 241 | C | 71.5 | Confident | 61.8 | Low | 20 Ų | 20 | 100.4 Ų | 100.4 | 14% | 0.135 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -59.9 | -21.4 | 179.8 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | V239 V245 L264 Q268 W272 | V239-C241 PolarHBondContact O-N 3.41Å; C241-V245 VanDerWaalsContact O-CG2 3.28Å; C241-V245 WeakPolarHBondContact O-CG2 3.36Å; C241-V245 PolarHBondContact O-N 2.92Å; C241-L264 HydrophobicContact CB-CD2 4.03Å; C241-Q268 HydrophobicContact CB-CG 4.37Å; C241-Q268 PolarHBondContact SG-NE2 3.07Å; C241-W272 HydrophobicContact CB-CH2 3.78Å; C241-W272 HydrophobicContact CB-CZ2 4.04Å; C241-W272 HydrophobicContact CB-CZ3 4.47Å |
| 242 | T | 74.7 | Confident | 64.3 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 172 | 45.2 | 0 | 0 | 0 | 0 | 112.4 | Q240 L244 V245 D246 | Q240-T242 VanDerWaalsContact CB-OG1 3.3Å; Q240-T242 WeakPolarHBondContact CB-OG1 3.47Å; Q240-T242 PolarHBondContact O-N 3.21Å; Q240-T242 PolarHBondContact OE1-OG1 3.28Å; T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 PolarHBondContact O-N 3.04Å; T242-V245 WeakPolarHBondContact O-CB 3.42Å; T242-V245 PolarHBondContact O-N 3.23Å; T242-V245 VanDerWaalsContact O-N 3.09Å; T242-D246 PolarHBondContact O-N 3.2Å; T242-D246 VanDerWaalsContact O-N 3.11Å |
| 243 | E | 79.3 | Confident | 66.8 | Low | 112 Ų | 112 | 88.6 Ų | 88.6 | 52% | 0.523 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 178.9 | -66.7 | 175.5 | -164.7 | 0 | 0 | 112 | Q240 V245 D246 L247 | Q240-E243 HydrophobicContact CB-CG 4.26Å; Q240-E243 PolarHBondContact O-N 3.31Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-D246 PolarHBondContact O-N 2.98Å; E243-L247 WeakPolarHBondContact O-CB 3.23Å; E243-L247 PolarHBondContact O-N 3.06Å |
| 244 | L | 78.9 | Confident | 69.6 | Low | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67 | -33.8 | 175.8 | -72.5 | 166.6 | 0 | 0 | 0 | 112.3 | F148 V239 Q240 T242 L247 L248 I260 F263 L264 | F148-L244 HydrophobicContact CZ-CD2 4.3Å; V239-L244 HydrophobicContact CG1-CD1 3.88Å; V239-L244 HydrophobicContact CG1-CD2 4.16Å; V239-L244 HydrophobicContact CG1-CG 3.77Å; Q240-L244 PolarHBondContact O-N 3.43Å; T242-L244 VanDerWaalsContact C-N 3.28Å; T242-L244 PolarHBondContact O-N 3.04Å; L244-L247 HydrophobicContact CD2-CD2 4.25Å; L244-L247 WeakPolarHBondContact O-CB 3.4Å; L244-L247 PolarHBondContact O-N 3.12Å; L244-L248 WeakPolarHBondContact O-CG 3.5Å; L244-L248 PolarHBondContact O-N 2.93Å; L244-I260 HydrophobicContact CB-CG2 3.94Å; L244-I260 HydrophobicContact CD2-CG2 4.01Å; L244-F263 HydrophobicContact CD1-CD1 3.37Å; L244-F263 HydrophobicContact CD1-CE1 3.47Å; L244-F263 VanDerWaalsContact CD1-CE1 3.47Å; L244-L264 HydrophobicContact CB-CD2 4.09Å; L244-L264 HydrophobicContact CB-CG 4.45Å; L244-L264 HydrophobicContact CD1-CD2 4.07Å |
| 245 | V | 80.5 | Confident | 71.9 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | C241 T242 E243 L247 L248 L264 W272 T274 L276 | C241-V245 VanDerWaalsContact O-CG2 3.28Å; C241-V245 WeakPolarHBondContact O-CG2 3.36Å; C241-V245 PolarHBondContact O-N 2.92Å; T242-V245 WeakPolarHBondContact O-CB 3.42Å; T242-V245 PolarHBondContact O-N 3.23Å; T242-V245 VanDerWaalsContact O-N 3.09Å; E243-V245 VanDerWaalsContact C-N 3.31Å; V245-L247 VanDerWaalsContact C-N 3.35Å; V245-L248 WeakPolarHBondContact O-CB 3.3Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-L264 HydrophobicContact CG2-CD1 4.34Å; V245-W272 HydrophobicContact CG2-CH2 3.93Å; V245-W272 HydrophobicContact CG2-CZ3 3.82Å; V245-T274 HydrophobicContact CG2-CG2 4.28Å; V245-L276 HydrophobicContact CG1-CD1 3.48Å; V245-L276 VanDerWaalsContact CG1-CD1 3.48Å |
| 246 | D | 81.1 | Confident | 74.1 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 173 | -67.6 | -26.4 | 0 | 0 | 0 | 111.3 | T242 E243 L248 L249 D250 | T242-D246 PolarHBondContact O-N 3.2Å; T242-D246 VanDerWaalsContact O-N 3.11Å; E243-D246 PolarHBondContact O-N 2.98Å; D246-L248 VanDerWaalsContact C-N 3.28Å; D246-L248 PolarHBondContact O-N 2.96Å; D246-L249 WeakPolarHBondContact O-CB 3.07Å; D246-L249 PolarHBondContact O-N 3.4Å; D246-D250 PolarHBondContact O-N 3.03Å |
| 247 | L | 81.9 | Confident | 76.3 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.2 | -33.8 | 176.8 | -160.8 | 60.8 | 0 | 0 | 0 | 112.8 | L145 E243 L244 V245 L249 D250 T251 I260 | L145-L247 HydrophobicContact CD2-CD1 3.65Å; L145-L247 HydrophobicContact CD2-CD2 3.35Å; L145-L247 HydrophobicContact CD2-CG 3.4Å; E243-L247 WeakPolarHBondContact O-CB 3.23Å; E243-L247 PolarHBondContact O-N 3.06Å; L244-L247 HydrophobicContact CD2-CD2 4.25Å; L244-L247 WeakPolarHBondContact O-CB 3.4Å; L244-L247 PolarHBondContact O-N 3.12Å; V245-L247 VanDerWaalsContact C-N 3.35Å; L247-L249 PolarHBondContact O-N 2.93Å; L247-D250 PolarHBondContact O-N 2.98Å; L247-T251 WeakPolarHBondContact O-CB 3.1Å; L247-T251 PolarHBondContact O-N 3.21Å; L247-T251 PolarHBondContact O-OG1 2.87Å; L247-I260 HydrophobicContact CB-CD1 4.25Å; L247-I260 HydrophobicContact CD2-CD1 3.9Å; L247-I260 HydrophobicContact CD2-CG1 4.44Å; L247-I260 HydrophobicContact CG-CD1 3.9Å |
| 248 | L | 81.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.3 | -32.3 | 173.8 | -77.2 | 172 | 0 | 0 | 0 | 112.5 | L131 L244 V245 D246 Q257 I260 L261 L264 L287 | L131-L248 HydrophobicContact CD2-CB 4.18Å; L244-L248 WeakPolarHBondContact O-CG 3.5Å; L244-L248 PolarHBondContact O-N 2.93Å; V245-L248 WeakPolarHBondContact O-CB 3.3Å; V245-L248 PolarHBondContact O-N 2.95Å; D246-L248 VanDerWaalsContact C-N 3.28Å; D246-L248 PolarHBondContact O-N 2.96Å; L248-Q257 HydrophobicContact CD2-CB 4.21Å; L248-Q257 HydrophobicContact CD2-CG 4.41Å; L248-I260 HydrophobicContact CD1-CG2 4.11Å; L248-I260 HydrophobicContact CD2-CB 3.7Å; L248-I260 HydrophobicContact CD2-CD1 4.12Å; L248-I260 HydrophobicContact CD2-CG2 3.66Å; L248-I260 HydrophobicContact CG-CB 4.22Å; L248-I260 HydrophobicContact CG-CG2 3.61Å; L248-L261 HydrophobicContact CD1-CD2 3.81Å; L248-L261 HydrophobicContact CD1-CG 4.46Å; L248-L261 HydrophobicContact CD2-CD2 4.3Å; L248-L261 HydrophobicContact CD2-CG 4.06Å; L248-L264 HydrophobicContact CD1-CD1 3.76Å; L248-L287 HydrophobicContact CD1-CD1 4.27Å |
| 249 | L | 78.6 | Confident | 79.6 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 30% | 0.298 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -78.2 | -30.7 | 177.5 | -65.2 | 175 | 0 | 0 | 0 | 112.6 | D246 L247 L276 | D246-L249 WeakPolarHBondContact O-CB 3.07Å; D246-L249 PolarHBondContact O-N 3.4Å; L247-L249 PolarHBondContact O-N 2.93Å; L249-L276 HydrophobicContact CD1-CD1 3.99Å; L249-L276 HydrophobicContact CD2-CD1 3.75Å; L249-L276 HydrophobicContact CD2-CD2 4.1Å; L249-L276 HydrophobicContact CD2-CG 4.02Å; L249-L276 HydrophobicContact CG-CD1 3.74Å |
| 250 | D | 82.1 | Confident | 80.9 | Confident | 66 Ų | 66 | 40.7 Ų | 40.7 | 35% | 0.353 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -80.8 | -22.3 | 179.4 | -72.8 | -17.1 | 0 | 0 | 0 | 112.7 | D246 L247 | D246-D250 PolarHBondContact O-N 3.03Å; L247-D250 PolarHBondContact O-N 2.98Å |
| 251 | T | 82.5 | Confident | 82 | Confident | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | trans | -85.7 | 120.7 | -172.7 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | L247 L253 E256 Q257 | L247-T251 WeakPolarHBondContact O-CB 3.1Å; L247-T251 PolarHBondContact O-N 3.21Å; L247-T251 PolarHBondContact O-OG1 2.87Å; T251-L253 HydrophobicContact CG2-CB 4.45Å; T251-E256 HydrophobicContact CG2-CB 3.47Å; T251-E256 VanDerWaalsContact CG2-CB 3.47Å; T251-Q257 HydrophobicContact CG2-CG 3.99Å; T251-Q257 PolarHBondContact O-NE2 3.32Å | ||
| 252 | D | 80.6 | Confident | 82.6 | Confident | 113 Ų | 113 | 35.8 Ų | 35.8 | 60% | 0.604 | 19% | 0.188 | S | C | * | . | trans | -87.3 | -19.5 | 176.1 | -66.6 | -38.7 | 0 | 0 | 0 | 113.3 | R133 | R133-D252 IonicContact NH1-OD1 3.69Å; R133-D252 IonicContact NH1-OD2 3.67Å; R133-D252 PolarHBondContact NH1-OD2 3.45Å | ||
| 253 | L | 84.6 | Confident | 83 | Confident | 91 Ų | 91 | 33.5 Ų | 33.5 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | trans | -86.5 | 118.3 | -177.2 | -67.7 | 175.2 | 0 | 0 | 0 | 111.8 | T251 E255 E256 Q257 | T251-L253 HydrophobicContact CG2-CB 4.45Å; L253-E255 PolarHBondContact O-N 3.44Å; L253-E255 VanDerWaalsContact O-N 3.11Å; L253-E256 HydrophobicContact CB-CB 4.22Å; L253-E256 HydrophobicContact CB-CG 4.1Å; L253-E256 HydrophobicContact CD1-CG 4.36Å; L253-E256 WeakPolarHBondContact CD1-OE2 3.33Å; L253-E256 PolarHBondContact O-N 2.82Å; L253-E256 VanDerWaalsContact O-N 3.09Å; L253-Q257 PolarHBondContact O-N 3.48Å | ||
| 254 | L | 85.9 | Confident | 83.3 | Confident | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.5 | -30.8 | 176 | -66.6 | -175.8 | 0 | 0 | 0 | 113.9 | A258 K294 E298 L303 | L254-A258 WeakPolarHBondContact O-CB 3.16Å; L254-A258 PolarHBondContact O-N 3.45Å; L254-K294 HydrophobicContact CD1-CB 3.79Å; L254-K294 HydrophobicContact CD2-CB 3.81Å; L254-K294 HydrophobicContact CD2-CD 3.69Å; L254-K294 HydrophobicContact CD2-CG 4.41Å; L254-K294 HydrophobicContact CG-CB 4.5Å; L254-E298 HydrophobicContact CD1-CG 4.24Å; L254-E298 WeakPolarHBondContact CD1-OE1 3.29Å; L254-E298 VanDerWaalsContact CD1-OE2 3.31Å; L254-E298 WeakPolarHBondContact CD1-OE2 3.43Å; L254-L303 HydrophobicContact CB-CD2 3.72Å |
| 255 | E | 84.5 | Confident | 83.8 | Confident | 17 Ų | 17 | 30 Ų | 30 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | -179.7 | -49.1 | -169.9 | 173.5 | 0 | 0 | 110.7 | R157 L253 A258 D259 W302 | R157-E255 IonicContact CZ-OE1 2.66Å; R157-E255 IonicContact CZ-OE2 3.29Å; R157-E255 IonicContact NE-OE1 3.72Å; R157-E255 IonicContact NE-OE2 2.68Å; R157-E255 PolarHBondContact NE-OE2 2.82Å; R157-E255 VanDerWaalsContact NH2-CD 3.29Å; R157-E255 IonicContact NH2-OE1 2.71Å; R157-E255 PolarHBondContact NH2-OE1 3.3Å; R157-E255 IonicContact NH2-OE2 3.06Å; R157-E255 PolarHBondContact NH2-OE2 3.45Å; R157-E255 VanDerWaalsContact NH2-OE2 3.13Å; L253-E255 PolarHBondContact O-N 3.44Å; L253-E255 VanDerWaalsContact O-N 3.11Å; E255-A258 PolarHBondContact O-N 2.88Å; E255-D259 PolarHBondContact O-N 2.86Å; E255-W302 HydrophobicContact CB-CH2 4.2Å; E255-W302 HydrophobicContact CB-CZ2 3.98Å; E255-W302 HydrophobicContact CG-CH2 4.31Å; E255-W302 HydrophobicContact CG-CZ2 3.62Å |
| 256 | E | 83.7 | Confident | 83.9 | Confident | 24 Ų | 24 | 34 Ų | 34 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.2 | -38.3 | 178.5 | -67.3 | 174.1 | 162.5 | 0 | 0 | 111.1 | L145 T251 L253 A258 D259 I260 | L145-E256 HydrophobicContact CD1-CB 3.74Å; L145-E256 HydrophobicContact CD1-CG 3.53Å; L145-E256 VanDerWaalsContact CD1-OE1 3.28Å; L145-E256 WeakPolarHBondContact CD1-OE1 3.42Å; L145-E256 WeakPolarHBondContact CD1-OE2 3.34Å; T251-E256 HydrophobicContact CG2-CB 3.47Å; T251-E256 VanDerWaalsContact CG2-CB 3.47Å; L253-E256 HydrophobicContact CB-CB 4.22Å; L253-E256 HydrophobicContact CB-CG 4.1Å; L253-E256 HydrophobicContact CD1-CG 4.36Å; L253-E256 WeakPolarHBondContact CD1-OE2 3.33Å; L253-E256 PolarHBondContact O-N 2.82Å; L253-E256 VanDerWaalsContact O-N 3.09Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 3.17Å; E256-D259 PolarHBondContact O-N 3.07Å; E256-I260 WeakPolarHBondContact O-CG1 3.19Å; E256-I260 PolarHBondContact O-N 2.73Å |
| 257 | Q | 87.5 | Confident | 84 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 171.1 | -69.6 | -179.4 | -5.1 | 0 | 0 | 111.4 | L248 T251 L253 D259 I260 L261 V291 | L248-Q257 HydrophobicContact CD2-CB 4.21Å; L248-Q257 HydrophobicContact CD2-CG 4.41Å; T251-Q257 HydrophobicContact CG2-CG 3.99Å; T251-Q257 PolarHBondContact O-NE2 3.32Å; L253-Q257 PolarHBondContact O-N 3.48Å; Q257-D259 VanDerWaalsContact C-N 3.28Å; Q257-D259 PolarHBondContact O-N 3.01Å; Q257-I260 PolarHBondContact O-N 2.88Å; Q257-L261 WeakPolarHBondContact O-CB 3.38Å; Q257-L261 WeakPolarHBondContact O-CG 3.5Å; Q257-L261 PolarHBondContact O-N 3.43Å; Q257-V291 HydrophobicContact CB-CG2 4.27Å |
| 258 | A | 86.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -31 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L254 E255 E256 E262 V291 L303 Y306 | L254-A258 WeakPolarHBondContact O-CB 3.16Å; L254-A258 PolarHBondContact O-N 3.45Å; E255-A258 PolarHBondContact O-N 2.88Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 3.17Å; A258-E262 WeakPolarHBondContact O-CB 3.29Å; A258-E262 PolarHBondContact O-N 2.95Å; A258-V291 HydrophobicContact CB-CG1 4.11Å; A258-L303 HydrophobicContact CB-CD1 3.47Å; A258-L303 VanDerWaalsContact CB-CD1 3.47Å; A258-Y306 HydrophobicContact CB-CD1 4.43Å; A258-Y306 HydrophobicContact CB-CE1 4.31Å |
| 259 | D | 83 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.7 | -44.1 | 177.3 | -75.9 | 22.3 | 0 | 0 | 0 | 111.8 | V149 M152 S153 R156 E255 E256 Q257 L261 E262 F263 | V149-D259 HydrophobicContact CG1-CB 4.12Å; M152-D259 HydrophobicContact CB-CB 4.48Å; M152-D259 VanDerWaalsContact CB-OD2 3.29Å; M152-D259 WeakPolarHBondContact CB-OD2 3.05Å; S153-D259 WeakPolarHBondContact CA-OD2 3.06Å; S153-D259 VanDerWaalsContact CB-OD2 3.25Å; S153-D259 WeakPolarHBondContact CB-OD2 3.26Å; S153-D259 PolarHBondContact N-OD2 2.75Å; R156-D259 IonicContact CZ-OD1 2.82Å; R156-D259 IonicContact CZ-OD2 3.68Å; R156-D259 VanDerWaalsContact NE-CG 3.31Å; R156-D259 IonicContact NE-OD1 3.69Å; R156-D259 PolarHBondContact NE-OD1 3.26Å; R156-D259 IonicContact NE-OD2 3.3Å; R156-D259 PolarHBondContact NE-OD2 3.11Å; R156-D259 VanDerWaalsContact NE-OD2 3.12Å; R156-D259 IonicContact NH1-OD1 3.74Å; R156-D259 VanDerWaalsContact NH2-CG 3.3Å; R156-D259 IonicContact NH2-OD1 2.88Å; R156-D259 PolarHBondContact NH2-OD1 3.09Å; R156-D259 IonicContact NH2-OD2 2.93Å; E255-D259 PolarHBondContact O-N 2.86Å; E256-D259 PolarHBondContact O-N 3.07Å; Q257-D259 VanDerWaalsContact C-N 3.28Å; Q257-D259 PolarHBondContact O-N 3.01Å; D259-L261 VanDerWaalsContact C-N 3.3Å; D259-L261 PolarHBondContact O-N 2.89Å; D259-E262 PolarHBondContact O-N 2.85Å; D259-F263 PolarHBondContact O-N 2.98Å |
| 260 | I | 85 | Confident | 84.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 173.8 | -62.9 | 163 | 0 | 0 | 0 | 109.8 | L145 V149 L244 L247 L248 E256 Q257 E262 F263 L264 | L145-I260 HydrophobicContact CD2-CD1 4.16Å; V149-I260 HydrophobicContact CG1-CD1 4.48Å; V149-I260 HydrophobicContact CG1-CG1 3.74Å; L244-I260 HydrophobicContact CB-CG2 3.94Å; L244-I260 HydrophobicContact CD2-CG2 4.01Å; L247-I260 HydrophobicContact CB-CD1 4.25Å; L247-I260 HydrophobicContact CD2-CD1 3.9Å; L247-I260 HydrophobicContact CD2-CG1 4.44Å; L247-I260 HydrophobicContact CG-CD1 3.9Å; L248-I260 HydrophobicContact CD1-CG2 4.11Å; L248-I260 HydrophobicContact CD2-CB 3.7Å; L248-I260 HydrophobicContact CD2-CD1 4.12Å; L248-I260 HydrophobicContact CD2-CG2 3.66Å; L248-I260 HydrophobicContact CG-CB 4.22Å; L248-I260 HydrophobicContact CG-CG2 3.61Å; E256-I260 WeakPolarHBondContact O-CG1 3.19Å; E256-I260 PolarHBondContact O-N 2.73Å; Q257-I260 PolarHBondContact O-N 2.88Å; I260-E262 PolarHBondContact O-N 2.86Å; I260-F263 PolarHBondContact O-N 2.85Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.45Å |
| 261 | L | 88 | Confident | 84.7 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | 177.4 | -70.6 | 173.8 | 0 | 0 | 0 | 113.1 | L248 Q257 D259 F263 L264 W265 V284 L287 V288 V291 | L248-L261 HydrophobicContact CD1-CD2 3.81Å; L248-L261 HydrophobicContact CD1-CG 4.46Å; L248-L261 HydrophobicContact CD2-CD2 4.3Å; L248-L261 HydrophobicContact CD2-CG 4.06Å; Q257-L261 WeakPolarHBondContact O-CB 3.38Å; Q257-L261 WeakPolarHBondContact O-CG 3.5Å; Q257-L261 PolarHBondContact O-N 3.43Å; D259-L261 VanDerWaalsContact C-N 3.3Å; D259-L261 PolarHBondContact O-N 2.89Å; L261-F263 VanDerWaalsContact C-N 3.33Å; L261-L264 PolarHBondContact O-N 3.48Å; L261-W265 WeakPolarHBondContact O-CB 3.49Å; L261-W265 PolarHBondContact O-N 2.91Å; L261-V284 HydrophobicContact CD2-CG1 4.21Å; L261-L287 HydrophobicContact CD1-CB 4.07Å; L261-L287 HydrophobicContact CD2-CB 3.56Å; L261-L287 HydrophobicContact CD2-CD1 3.86Å; L261-L287 HydrophobicContact CD2-CG 4.38Å; L261-L287 HydrophobicContact CG-CB 4.5Å; L261-V288 HydrophobicContact CB-CG2 3.9Å; L261-V288 HydrophobicContact CD1-CG2 4.03Å; L261-V288 HydrophobicContact CG-CG2 4.4Å; L261-V291 HydrophobicContact CD1-CB 4.24Å; L261-V291 HydrophobicContact CD1-CG2 3.56Å |
| 262 | E | 84.5 | Confident | 84.9 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 171.3 | 177.9 | -175.2 | -128.2 | 0 | 0 | 111.1 | R156 A258 D259 I260 W265 S266 Y306 K376 | R156-E262 IonicContact NH2-OE2 2.79Å; R156-E262 PolarHBondContact NH2-OE2 2.85Å; A258-E262 WeakPolarHBondContact O-CB 3.29Å; A258-E262 PolarHBondContact O-N 2.95Å; D259-E262 PolarHBondContact O-N 2.85Å; I260-E262 PolarHBondContact O-N 2.86Å; E262-W265 WeakPolarHBondContact O-CB 3.47Å; E262-W265 PolarHBondContact O-N 3.38Å; E262-S266 WeakPolarHBondContact O-CB 3.37Å; E262-S266 PolarHBondContact O-N 3.27Å; E262-Y306 WeakPolarHBondContact CB-OH 3.32Å; E262-Y306 WeakPolarHBondContact CG-OH 3.24Å; E262-Y306 PolarHBondContact OE1-OH 3.44Å; E262-Y306 PolarHBondContact OE2-OH 2.85Å; E262-Y306 VanDerWaalsContact OE2-OH 3.07Å; E262-K376 IonicContact OE1-NZ 3.84Å; E262-K376 IonicContact OE2-NZ 3.25Å; E262-K376 PolarHBondContact OE2-NZ 2.92Å |
| 263 | F | 83.3 | Confident | 85 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | -179.4 | -176 | -90.3 | 0 | 0 | 0 | 110.9 | F148 M152 L244 D259 I260 L261 W265 S266 K267 | F148-F263 HydrophobicContact CE2-CE2 4.48Å; M152-F263 HydrophobicContact CE-CD2 4.37Å; L244-F263 HydrophobicContact CD1-CD1 3.37Å; L244-F263 HydrophobicContact CD1-CE1 3.47Å; L244-F263 VanDerWaalsContact CD1-CE1 3.47Å; D259-F263 PolarHBondContact O-N 2.98Å; I260-F263 PolarHBondContact O-N 2.85Å; L261-F263 VanDerWaalsContact C-N 3.33Å; F263-W265 VanDerWaalsContact C-N 3.35Å; F263-W265 PolarHBondContact O-N 2.68Å; F263-S266 PolarHBondContact O-N 3.21Å; F263-K267 HydrophobicContact CD1-CG 4.06Å; F263-K267 HydrophobicContact CE1-CG 3.72Å; F263-K267 HydrophobicContact CE2-CG 4.24Å; F263-K267 HydrophobicContact CG-CG 4.49Å; F263-K267 HydrophobicContact CZ-CD 4.3Å; F263-K267 HydrophobicContact CZ-CG 3.84Å; F263-K267 WeakPolarHBondContact O-CB 3.31Å; F263-K267 WeakPolarHBondContact O-CG 3.46Å; F263-K267 PolarHBondContact O-N 2.92Å |
| 264 | L | 85.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 175 | -71 | 173.3 | 0 | 0 | 0 | 111.7 | C241 L244 V245 L248 I260 L261 S266 K267 Q268 W272 V284 | C241-L264 HydrophobicContact CB-CD2 4.03Å; L244-L264 HydrophobicContact CB-CD2 4.09Å; L244-L264 HydrophobicContact CB-CG 4.45Å; L244-L264 HydrophobicContact CD1-CD2 4.07Å; V245-L264 HydrophobicContact CG2-CD1 4.34Å; L248-L264 HydrophobicContact CD1-CD1 3.76Å; I260-L264 HydrophobicContact CG2-CD1 4.03Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.45Å; L261-L264 PolarHBondContact O-N 3.48Å; L264-S266 VanDerWaalsContact C-N 3.34Å; L264-S266 PolarHBondContact O-N 3.31Å; L264-K267 PolarHBondContact O-N 3.39Å; L264-Q268 PolarHBondContact O-N 3.48Å; L264-W272 HydrophobicContact CD2-CZ3 4.02Å; L264-V284 HydrophobicContact CB-CG1 4.31Å; L264-V284 HydrophobicContact CB-CG2 4.3Å |
| 265 | W | 87.8 | Confident | 84.4 | Confident | 40 Ų | 40 | 43 Ų | 43 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 176.4 | -173.1 | -70.6 | 0 | 0 | 0 | 112 | L261 E262 F263 G269 P270 V284 R285 V288 L310 L311 | L261-W265 WeakPolarHBondContact O-CB 3.49Å; L261-W265 PolarHBondContact O-N 2.91Å; E262-W265 WeakPolarHBondContact O-CB 3.47Å; E262-W265 PolarHBondContact O-N 3.38Å; F263-W265 VanDerWaalsContact C-N 3.35Å; F263-W265 PolarHBondContact O-N 2.68Å; W265-G269 VanDerWaalsContact O-CA 3.23Å; W265-G269 WeakPolarHBondContact O-CA 3.45Å; W265-G269 PolarHBondContact O-N 2.65Å; W265-G269 VanDerWaalsContact O-N 3.13Å; W265-P270 HydrophobicContact CD2-CB 4.04Å; W265-P270 HydrophobicContact CE3-CB 4Å; W265-P270 HydrophobicContact CH2-CB 3.57Å; W265-P270 HydrophobicContact CZ2-CB 3.59Å; W265-P270 HydrophobicContact CZ2-CG 4.22Å; W265-P270 HydrophobicContact CZ3-CB 3.78Å; W265-V284 HydrophobicContact CB-CG1 4.22Å; W265-V284 HydrophobicContact CE3-CG1 4.06Å; W265-R285 HydrophobicContact CZ3-CB 4.2Å; W265-V288 HydrophobicContact CE3-CG2 3.91Å; W265-V288 HydrophobicContact CZ3-CB 4.35Å; W265-V288 HydrophobicContact CZ3-CG2 4.12Å; W265-L310 HydrophobicContact CB-CD1 4.21Å; W265-L310 HydrophobicContact CB-CD2 4.42Å; W265-L310 HydrophobicContact CD2-CD1 3.65Å; W265-L310 HydrophobicContact CD2-CD2 4.17Å; W265-L310 HydrophobicContact CD2-CG 3.76Å; W265-L310 HydrophobicContact CE3-CD1 4.31Å; W265-L310 HydrophobicContact CE3-CD2 4.06Å; W265-L310 HydrophobicContact CE3-CG 3.9Å; W265-L310 HydrophobicContact CG-CD1 3.58Å; W265-L310 HydrophobicContact CG-CD2 4.34Å; W265-L310 HydrophobicContact CG-CG 4.14Å; W265-L310 HydrophobicContact CH2-CG 4.45Å; W265-L310 WeakPolarHBondContact CH2-O 3.48Å; W265-L310 HydrophobicContact CZ2-CD1 4.42Å; W265-L310 HydrophobicContact CZ2-CG 4.34Å; W265-L310 WeakPolarHBondContact CZ2-O 3.5Å; W265-L310 HydrophobicContact CZ3-CG 4.22Å; W265-L311 HydrophobicContact CH2-CD2 4.2Å; W265-L311 HydrophobicContact CZ3-CD2 4.19Å |
| 266 | S | 83.8 | Confident | 83.8 | Confident | 95 Ų | 95 | 42.6 Ų | 42.6 | 66% | 0.664 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -72.3 | -30.8 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 113.1 | E262 F263 L264 | E262-S266 WeakPolarHBondContact O-CB 3.37Å; E262-S266 PolarHBondContact O-N 3.27Å; F263-S266 PolarHBondContact O-N 3.21Å; L264-S266 VanDerWaalsContact C-N 3.34Å; L264-S266 PolarHBondContact O-N 3.31Å |
| 267 | K | 83.4 | Confident | 82.9 | Confident | 112 Ų | 112 | 44.2 Ų | 44.2 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -89.8 | -45 | -175.8 | -71.1 | -67.8 | -172.5 | 174.3 | 0 | 113.4 | F263 L264 | F263-K267 HydrophobicContact CD1-CG 4.06Å; F263-K267 HydrophobicContact CE1-CG 3.72Å; F263-K267 HydrophobicContact CE2-CG 4.24Å; F263-K267 HydrophobicContact CG-CG 4.49Å; F263-K267 HydrophobicContact CZ-CD 4.3Å; F263-K267 HydrophobicContact CZ-CG 3.84Å; F263-K267 WeakPolarHBondContact O-CB 3.31Å; F263-K267 WeakPolarHBondContact O-CG 3.46Å; F263-K267 PolarHBondContact O-N 2.92Å; L264-K267 PolarHBondContact O-N 3.39Å |
| 268 | Q | 82.9 | Confident | 81.9 | Confident | 92 Ų | 92 | 47.2 Ų | 47.2 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -109.9 | -16.9 | -172.6 | -62.5 | -68 | -4.3 | 0 | 0 | 113.4 | C241 L264 W272 | C241-Q268 HydrophobicContact CB-CG 4.37Å; C241-Q268 PolarHBondContact SG-NE2 3.07Å; L264-Q268 PolarHBondContact O-N 3.48Å; Q268-W272 HydrophobicContact CB-CB 3.65Å; Q268-W272 HydrophobicContact CB-CD2 3.72Å; Q268-W272 HydrophobicContact CB-CE3 4.22Å; Q268-W272 HydrophobicContact CB-CG 3.44Å; Q268-W272 VanDerWaalsContact CB-CG 3.44Å; Q268-W272 HydrophobicContact CG-CD2 3.87Å; Q268-W272 HydrophobicContact CG-CE3 4.28Å; Q268-W272 HydrophobicContact CG-CG 4.04Å; Q268-W272 HydrophobicContact CG-CZ2 4.47Å |
| 269 | G | 85.3 | Confident | 81.3 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | trans | 90.7 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W265 | W265-G269 VanDerWaalsContact O-CA 3.23Å; W265-G269 WeakPolarHBondContact O-CA 3.45Å; W265-G269 PolarHBondContact O-N 2.65Å; W265-G269 VanDerWaalsContact O-N 3.13Å | ||
| 270 | P | 85 | Confident | 80.6 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 24% | 0.24 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -31.2 | -172.8 | 25.4 | -33.3 | 0 | 0 | 0 | 114.6 | W265 W272 V284 R285 | W265-P270 HydrophobicContact CD2-CB 4.04Å; W265-P270 HydrophobicContact CE3-CB 4Å; W265-P270 HydrophobicContact CH2-CB 3.57Å; W265-P270 HydrophobicContact CZ2-CB 3.59Å; W265-P270 HydrophobicContact CZ2-CG 4.22Å; W265-P270 HydrophobicContact CZ3-CB 3.78Å; P270-W272 VanDerWaalsContact C-N 3.3Å; P270-V284 PolarHBondContact O-N 3.44Å; P270-R285 HydrophobicContact CB-CB 4.46Å; P270-R285 PolarHBondContact O-N 3.33Å |
| 271 | E | 86.1 | Confident | 80.3 | Confident | 115 Ų | 115 | 66.8 Ų | 66.8 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 7.4 | -176 | -52.5 | -49.8 | 137.8 | 0 | 0 | 112.6 | D273 R285 | E271-D273 PolarHBondContact O-N 2.93Å; E271-R285 IonicContact OE1-CZ 2.71Å; E271-R285 VanDerWaalsContact OE1-CZ 3.3Å; E271-R285 IonicContact OE1-NE 2.68Å; E271-R285 PolarHBondContact OE1-NE 2.9Å; E271-R285 IonicContact OE1-NH2 3.29Å; E271-R285 PolarHBondContact OE1-NH2 2.9Å |
| 272 | W | 85.1 | Confident | 80.1 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 25% | 0.25 | 36% | 0.36 | C | S | . | . | trans | -67.9 | 123.5 | 176.8 | -175.6 | 73.6 | 0 | 0 | 0 | 110.6 | C241 V245 L264 Q268 P270 T274 T283 V284 | C241-W272 HydrophobicContact CB-CH2 3.78Å; C241-W272 HydrophobicContact CB-CZ2 4.04Å; C241-W272 HydrophobicContact CB-CZ3 4.47Å; V245-W272 HydrophobicContact CG2-CH2 3.93Å; V245-W272 HydrophobicContact CG2-CZ3 3.82Å; L264-W272 HydrophobicContact CD2-CZ3 4.02Å; Q268-W272 HydrophobicContact CB-CB 3.65Å; Q268-W272 HydrophobicContact CB-CD2 3.72Å; Q268-W272 HydrophobicContact CB-CE3 4.22Å; Q268-W272 HydrophobicContact CB-CG 3.44Å; Q268-W272 VanDerWaalsContact CB-CG 3.44Å; Q268-W272 HydrophobicContact CG-CD2 3.87Å; Q268-W272 HydrophobicContact CG-CE3 4.28Å; Q268-W272 HydrophobicContact CG-CG 4.04Å; Q268-W272 HydrophobicContact CG-CZ2 4.47Å; P270-W272 VanDerWaalsContact C-N 3.3Å; W272-T274 HydrophobicContact CE3-CG2 3.76Å; W272-T274 HydrophobicContact CZ3-CG2 3.68Å; W272-T274 PolarHBondContact O-N 3.22Å; W272-T283 CarbonylContact O-C 3.26Å; W272-T283 VanDerWaalsContact O-CA 3.31Å; W272-T283 WeakPolarHBondContact O-CA 3.37Å; W272-V284 HydrophobicContact CB-CG2 4.14Å; W272-V284 HydrophobicContact CE3-CG2 3.74Å; W272-V284 PolarHBondContact O-N 2.92Å | ||
| 273 | D | 83.7 | Confident | 80.3 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 112.3 | 177.5 | -172.5 | 7.3 | 0 | 0 | 0 | 110.1 | E271 K275 N281 V282 | E271-D273 PolarHBondContact O-N 2.93Å; D273-K275 PolarHBondContact O-N 2.9Å; D273-K275 PolarHBondContact OD1-N 2.98Å; D273-N281 PolarHBondContact OD2-N 3.24Å; D273-V282 PolarHBondContact OD1-N 3.22Å |
| 274 | T | 79.2 | Confident | 80.6 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | trans | -72.1 | -16.3 | 178 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | V245 W272 L276 V282 V284 L287 | V245-T274 HydrophobicContact CG2-CG2 4.28Å; W272-T274 HydrophobicContact CE3-CG2 3.76Å; W272-T274 HydrophobicContact CZ3-CG2 3.68Å; W272-T274 PolarHBondContact O-N 3.22Å; T274-L276 PolarHBondContact O-N 3.14Å; T274-L276 PolarHBondContact OG1-N 3.3Å; T274-V282 PolarHBondContact N-O 2.9Å; T274-V282 WeakPolarHBondContact OG1-CG1 3.44Å; T274-V282 PolarHBondContact OG1-O 3.08Å; T274-V284 HydrophobicContact CG2-CG2 3.91Å; T274-L287 HydrophobicContact CG2-CD1 3.68Å | ||
| 275 | K | 78.3 | Confident | 80.8 | Confident | 147 Ų | 147 | 68.3 Ų | 68.3 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | trans | 49.6 | 28.9 | -172.4 | -59.9 | 178.1 | -177.8 | 173.5 | 0 | 113.1 | D273 G277 G278 K279 | D273-K275 PolarHBondContact O-N 2.9Å; D273-K275 PolarHBondContact OD1-N 2.98Å; K275-G277 PolarHBondContact O-N 3.4Å; K275-G278 PolarHBondContact O-N 2.97Å; K275-G278 VanDerWaalsContact O-N 3.11Å; K275-K279 WeakPolarHBondContact CA-O 3.37Å | ||
| 276 | L | 70.9 | Confident | 80.8 | Confident | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -57.8 | 125.3 | -174.4 | -168.2 | 78.7 | 0 | 0 | 0 | 110.6 | L130 L131 V245 L249 T274 G278 K279 V282 L287 | L130-L276 HydrophobicContact CB-CD2 4.38Å; L131-L276 HydrophobicContact CD2-CD2 3.76Å; V245-L276 HydrophobicContact CG1-CD1 3.48Å; V245-L276 VanDerWaalsContact CG1-CD1 3.48Å; L249-L276 HydrophobicContact CD1-CD1 3.99Å; L249-L276 HydrophobicContact CD2-CD1 3.75Å; L249-L276 HydrophobicContact CD2-CD2 4.1Å; L249-L276 HydrophobicContact CD2-CG 4.02Å; L249-L276 HydrophobicContact CG-CD1 3.74Å; T274-L276 PolarHBondContact O-N 3.14Å; T274-L276 PolarHBondContact OG1-N 3.3Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 3.07Å; L276-K279 PolarHBondContact O-N 3.39Å; L276-V282 HydrophobicContact CB-CB 4.47Å; L276-V282 HydrophobicContact CB-CG1 4.12Å; L276-L287 HydrophobicContact CD2-CD2 3.84Å |
| 277 | G | 65.2 | Low | 81.1 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | 67 | 21.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K275 K279 | K275-G277 PolarHBondContact O-N 3.4Å; G277-K279 PolarHBondContact O-N 2.69Å |
| 278 | G | 67.7 | Low | 81.4 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 74% | 0.742 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | 74.8 | 5.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K275 L276 | K275-G278 PolarHBondContact O-N 2.97Å; K275-G278 VanDerWaalsContact O-N 3.11Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 3.07Å |
| 279 | K | 72.4 | Confident | 81.8 | Confident | 110 Ų | 110 | 60.2 Ų | 60.2 | 48% | 0.478 | 32% | 0.322 | S | S | . | . | trans | -81.5 | 128.5 | 172.6 | -66.3 | -179.2 | -178.8 | 175.8 | 0 | 108.8 | L130 K275 L276 G277 V282 | L130-K279 HydrophobicContact CD2-CD 4.26Å; K275-K279 WeakPolarHBondContact CA-O 3.37Å; L276-K279 PolarHBondContact O-N 3.39Å; G277-K279 PolarHBondContact O-N 2.69Å; K279-V282 HydrophobicContact CB-CG2 3.83Å | ||
| 280 | K | 69 | Low | 82 | Confident | 179 Ų | 179 | 60.1 Ų | 60.1 | 78% | 0.778 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 147.7 | 170.1 | -62.5 | -177.7 | -179.6 | -179.6 | 0 | 109.2 | ||
| 281 | N | 78.4 | Confident | 82.2 | Confident | 125 Ų | 125 | 58.3 Ų | 58.3 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 34.2 | 177 | -50.1 | -19.3 | 0 | 0 | 0 | 115.3 | D273 T283 | D273-N281 PolarHBondContact OD2-N 3.24Å; N281-T283 PolarHBondContact O-N 2.98Å |
| 282 | V | 83.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | trans | -96.1 | 88.9 | 171.4 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L130 D273 T274 L276 K279 L287 | L130-V282 HydrophobicContact CD1-CG1 3.9Å; D273-V282 PolarHBondContact OD1-N 3.22Å; T274-V282 PolarHBondContact N-O 2.9Å; T274-V282 WeakPolarHBondContact OG1-CG1 3.44Å; T274-V282 PolarHBondContact OG1-O 3.08Å; L276-V282 HydrophobicContact CB-CB 4.47Å; L276-V282 HydrophobicContact CB-CG1 4.12Å; K279-V282 HydrophobicContact CB-CG2 3.83Å; V282-L287 HydrophobicContact CG1-CD1 4.43Å; V282-L287 HydrophobicContact CG1-CD2 3.73Å; V282-L287 HydrophobicContact CG1-CG 4.01Å | ||
| 283 | T | 88.9 | Confident | 82.5 | Confident | 23 Ų | 23 | 54 Ų | 54 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 152.8 | 179.9 | 63.2 | 0 | 0 | 0 | 0 | 112 | W272 N281 R285 M286 L287 | W272-T283 CarbonylContact O-C 3.26Å; W272-T283 VanDerWaalsContact O-CA 3.31Å; W272-T283 WeakPolarHBondContact O-CA 3.37Å; N281-T283 PolarHBondContact O-N 2.98Å; T283-R285 PolarHBondContact O-N 3.42Å; T283-M286 WeakPolarHBondContact O-CB 3.36Å; T283-M286 PolarHBondContact O-N 2.94Å; T283-M286 WeakPolarHBondContact OG1-CG 3.38Å; T283-M286 PolarHBondContact OG1-N 3.41Å; T283-L287 PolarHBondContact O-N 3.24Å |
| 284 | V | 89.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54 | -36.6 | 171.8 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | L261 L264 W265 P270 W272 T274 M286 L287 V288 | L261-V284 HydrophobicContact CD2-CG1 4.21Å; L264-V284 HydrophobicContact CB-CG1 4.31Å; L264-V284 HydrophobicContact CB-CG2 4.3Å; W265-V284 HydrophobicContact CB-CG1 4.22Å; W265-V284 HydrophobicContact CE3-CG1 4.06Å; P270-V284 PolarHBondContact O-N 3.44Å; W272-V284 HydrophobicContact CB-CG2 4.14Å; W272-V284 HydrophobicContact CE3-CG2 3.74Å; W272-V284 PolarHBondContact O-N 2.92Å; T274-V284 HydrophobicContact CG2-CG2 3.91Å; V284-M286 PolarHBondContact O-N 3.18Å; V284-L287 PolarHBondContact O-N 3.05Å; V284-V288 HydrophobicContact CG1-CG2 4.32Å; V284-V288 WeakPolarHBondContact O-CG2 3.21Å; V284-V288 PolarHBondContact O-N 3.41Å |
| 285 | R | 89.9 | Confident | 83 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 28% | 0.279 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -53.9 | -49.3 | 173.4 | -179.4 | -174.7 | -61.4 | -76.7 | -2.2 | 113.1 | W265 P270 E271 T283 L287 V288 E289 L311 | W265-R285 HydrophobicContact CZ3-CB 4.2Å; P270-R285 HydrophobicContact CB-CB 4.46Å; P270-R285 PolarHBondContact O-N 3.33Å; E271-R285 IonicContact OE1-CZ 2.71Å; E271-R285 VanDerWaalsContact OE1-CZ 3.3Å; E271-R285 IonicContact OE1-NE 2.68Å; E271-R285 PolarHBondContact OE1-NE 2.9Å; E271-R285 IonicContact OE1-NH2 3.29Å; E271-R285 PolarHBondContact OE1-NH2 2.9Å; T283-R285 PolarHBondContact O-N 3.42Å; R285-L287 VanDerWaalsContact C-N 3.29Å; R285-L287 PolarHBondContact O-N 3.41Å; R285-V288 PolarHBondContact O-N 2.91Å; R285-E289 WeakPolarHBondContact O-CG 3.26Å; R285-E289 PolarHBondContact O-N 3.01Å; R285-L311 HydrophobicContact CG-CD2 4.09Å |
| 286 | M | 89 | Confident | 83.3 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 179.4 | -73.1 | 176.8 | 49.4 | 0 | 0 | 112 | L130 T283 V284 E289 E290 | L130-M286 HydrophobicContact CD1-CE 3.81Å; T283-M286 WeakPolarHBondContact O-CB 3.36Å; T283-M286 PolarHBondContact O-N 2.94Å; T283-M286 WeakPolarHBondContact OG1-CG 3.38Å; T283-M286 PolarHBondContact OG1-N 3.41Å; V284-M286 PolarHBondContact O-N 3.18Å; M286-E289 PolarHBondContact O-N 3.47Å; M286-E290 PolarHBondContact O-N 2.89Å |
| 287 | L | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.6 | -60.8 | 179.4 | 0 | 0 | 0 | 111.8 | L130 L131 L248 L261 T274 L276 V282 T283 V284 R285 E289 E290 V291 | L130-L287 HydrophobicContact CB-CD2 4.04Å; L130-L287 HydrophobicContact CD1-CD2 4.2Å; L131-L287 HydrophobicContact CD1-CB 4.48Å; L131-L287 HydrophobicContact CD1-CD2 4.36Å; L131-L287 HydrophobicContact CD2-CD2 4.04Å; L131-L287 HydrophobicContact CG-CD2 3.98Å; L248-L287 HydrophobicContact CD1-CD1 4.27Å; L261-L287 HydrophobicContact CD1-CB 4.07Å; L261-L287 HydrophobicContact CD2-CB 3.56Å; L261-L287 HydrophobicContact CD2-CD1 3.86Å; L261-L287 HydrophobicContact CD2-CG 4.38Å; L261-L287 HydrophobicContact CG-CB 4.5Å; T274-L287 HydrophobicContact CG2-CD1 3.68Å; L276-L287 HydrophobicContact CD2-CD2 3.84Å; V282-L287 HydrophobicContact CG1-CD1 4.43Å; V282-L287 HydrophobicContact CG1-CD2 3.73Å; V282-L287 HydrophobicContact CG1-CG 4.01Å; T283-L287 PolarHBondContact O-N 3.24Å; V284-L287 PolarHBondContact O-N 3.05Å; R285-L287 VanDerWaalsContact C-N 3.29Å; R285-L287 PolarHBondContact O-N 3.41Å; L287-E289 VanDerWaalsContact C-N 3.33Å; L287-E290 PolarHBondContact O-N 3.36Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 2.8Å |
| 288 | V | 90.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | L261 W265 V284 R285 V291 H292 T307 L310 L311 | L261-V288 HydrophobicContact CB-CG2 3.9Å; L261-V288 HydrophobicContact CD1-CG2 4.03Å; L261-V288 HydrophobicContact CG-CG2 4.4Å; W265-V288 HydrophobicContact CE3-CG2 3.91Å; W265-V288 HydrophobicContact CZ3-CB 4.35Å; W265-V288 HydrophobicContact CZ3-CG2 4.12Å; V284-V288 HydrophobicContact CG1-CG2 4.32Å; V284-V288 WeakPolarHBondContact O-CG2 3.21Å; V284-V288 PolarHBondContact O-N 3.41Å; R285-V288 PolarHBondContact O-N 2.91Å; V288-V291 PolarHBondContact O-N 2.86Å; V288-H292 VanDerWaalsContact O-CB 3.23Å; V288-H292 WeakPolarHBondContact O-CB 3.42Å; V288-H292 PolarHBondContact O-N 3.48Å; V288-T307 HydrophobicContact CG1-CG2 4.5Å; V288-L310 HydrophobicContact CB-CD2 4.45Å; V288-L310 HydrophobicContact CG1-CB 4.36Å; V288-L310 HydrophobicContact CG1-CD2 3.81Å; V288-L310 HydrophobicContact CG1-CG 4.29Å; V288-L310 HydrophobicContact CG2-CD2 3.7Å; V288-L311 HydrophobicContact CB-CD2 4.04Å; V288-L311 HydrophobicContact CB-CG 4.4Å; V288-L311 HydrophobicContact CG1-CD1 3.98Å; V288-L311 HydrophobicContact CG1-CD2 3.75Å; V288-L311 HydrophobicContact CG1-CG 3.58Å |
| 289 | E | 90.6 | Very high | 85.1 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 173.8 | -74.7 | 176.8 | 178.4 | 0 | 0 | 112.3 | R285 M286 L287 H292 H293 L311 | R285-E289 WeakPolarHBondContact O-CG 3.26Å; R285-E289 PolarHBondContact O-N 3.01Å; M286-E289 PolarHBondContact O-N 3.47Å; L287-E289 VanDerWaalsContact C-N 3.33Å; E289-H292 PolarHBondContact O-N 3.11Å; E289-H293 WeakPolarHBondContact O-CB 3.33Å; E289-H293 PolarHBondContact O-N 2.91Å; E289-L311 HydrophobicContact CB-CD1 4.5Å; E289-L311 HydrophobicContact CG-CD1 3.76Å; E289-L311 HydrophobicContact CG-CD2 3.75Å; E289-L311 HydrophobicContact CG-CG 4.43Å |
| 290 | E | 89.3 | Confident | 85.4 | Confident | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | 173.5 | -175.3 | 179.3 | 161.2 | 0 | 0 | 111.3 | P129 L130 L131 M286 L287 H292 H293 K294 | P129-E290 WeakPolarHBondContact CA-OE1 3.44Å; P129-E290 VanDerWaalsContact CB-OE1 3.31Å; P129-E290 WeakPolarHBondContact CB-OE1 3.37Å; L130-E290 WeakPolarHBondContact CA-OE2 3.21Å; L130-E290 WeakPolarHBondContact CB-OE2 3.48Å; L130-E290 PolarHBondContact N-OE1 3.5Å; L130-E290 PolarHBondContact N-OE2 3.42Å; L131-E290 PolarHBondContact N-OE1 3.31Å; L131-E290 PolarHBondContact N-OE2 3.49Å; M286-E290 PolarHBondContact O-N 2.89Å; L287-E290 PolarHBondContact O-N 3.36Å; E290-H292 VanDerWaalsContact C-N 3.31Å; E290-H292 PolarHBondContact O-N 3.4Å; E290-H293 PolarHBondContact O-N 3.37Å; E290-K294 HydrophobicContact CG-CD 4.4Å; E290-K294 WeakPolarHBondContact O-CG 3.5Å; E290-K294 PolarHBondContact O-N 3.29Å; E290-K294 WeakPolarHBondContact OE1-CE 3.46Å; E290-K294 IonicContact OE1-NZ 3.12Å; E290-K294 PolarHBondContact OE1-NZ 2.83Å |
| 291 | V | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L131 Q257 A258 L261 L287 V288 H293 K294 A295 L303 T307 | L131-V291 HydrophobicContact CD1-CG2 3.68Å; Q257-V291 HydrophobicContact CB-CG2 4.27Å; A258-V291 HydrophobicContact CB-CG1 4.11Å; L261-V291 HydrophobicContact CD1-CB 4.24Å; L261-V291 HydrophobicContact CD1-CG2 3.56Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 2.8Å; V288-V291 PolarHBondContact O-N 2.86Å; V291-H293 VanDerWaalsContact C-N 3.34Å; V291-H293 PolarHBondContact O-N 2.82Å; V291-K294 PolarHBondContact O-N 3.21Å; V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 2.86Å; V291-L303 HydrophobicContact CG1-CD2 4.44Å; V291-T307 HydrophobicContact CG1-CG2 4.04Å |
| 292 | H | 89.5 | Confident | 86 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 11% | 0.106 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.8 | 177.1 | 79.4 | 0 | 0 | 0 | 112.1 | V288 E289 E290 S296 T307 L311 K313 | V288-H292 VanDerWaalsContact O-CB 3.23Å; V288-H292 WeakPolarHBondContact O-CB 3.42Å; V288-H292 PolarHBondContact O-N 3.48Å; E289-H292 PolarHBondContact O-N 3.11Å; E290-H292 VanDerWaalsContact C-N 3.31Å; E290-H292 PolarHBondContact O-N 3.4Å; H292-S296 WeakPolarHBondContact O-CB 3.5Å; H292-S296 PolarHBondContact O-N 3.27Å; H292-S296 PolarHBondContact O-OG 3.24Å; H292-T307 HydrophobicContact CB-CG2 4.48Å; H292-T307 WeakPolarHBondContact CB-OG1 3.4Å; H292-T307 PolarHBondContact ND1-OG1 3.11Å; H292-L311 HydrophobicContact CB-CD1 4.02Å; H292-K313 PolarHBondContact CD2-NZ 2.91Å; H292-K313 PolarHBondContact NE2-NZ 3.33Å |
| 293 | H | 87 | Confident | 86.1 | Confident | 67 Ų | 67 | 45.2 Ų | 45.2 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68 | -42.2 | 177.7 | -173.2 | 83.8 | 0 | 0 | 0 | 112.1 | T126 E289 E290 V291 S296 T297 | T126-H293 WeakPolarHBondContact CG2-CD2 3.41Å; E289-H293 WeakPolarHBondContact O-CB 3.33Å; E289-H293 PolarHBondContact O-N 2.91Å; E290-H293 PolarHBondContact O-N 3.37Å; V291-H293 VanDerWaalsContact C-N 3.34Å; V291-H293 PolarHBondContact O-N 2.82Å; H293-S296 WeakPolarHBondContact O-CB 3.16Å; H293-S296 PolarHBondContact O-N 2.88Å; H293-T297 PolarHBondContact O-N 3.32Å; H293-T297 PolarHBondContact O-OG1 3.3Å |
| 294 | K | 86.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 45 Ų | 45 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 173.6 | -70.8 | -177.9 | -175.5 | 167.3 | 0 | 111.5 | L131 L254 E290 V291 S296 T297 E298 | L131-K294 PolarHBondContact O-NZ 2.87Å; L254-K294 HydrophobicContact CD1-CB 3.79Å; L254-K294 HydrophobicContact CD2-CB 3.81Å; L254-K294 HydrophobicContact CD2-CD 3.69Å; L254-K294 HydrophobicContact CD2-CG 4.41Å; L254-K294 HydrophobicContact CG-CB 4.5Å; E290-K294 HydrophobicContact CG-CD 4.4Å; E290-K294 WeakPolarHBondContact O-CG 3.5Å; E290-K294 PolarHBondContact O-N 3.29Å; E290-K294 WeakPolarHBondContact OE1-CE 3.46Å; E290-K294 IonicContact OE1-NZ 3.12Å; E290-K294 PolarHBondContact OE1-NZ 2.83Å; V291-K294 PolarHBondContact O-N 3.21Å; K294-S296 VanDerWaalsContact C-N 3.27Å; K294-S296 PolarHBondContact O-N 3.05Å; K294-T297 WeakPolarHBondContact O-CB 3.23Å; K294-T297 PolarHBondContact O-N 3.13Å; K294-T297 VanDerWaalsContact O-N 3.08Å; K294-E298 PolarHBondContact O-N 2.91Å |
| 295 | A | 86.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V291 Q299 K300 L303 V304 | V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 2.86Å; A295-Q299 PolarHBondContact O-N 3.32Å; A295-K300 PolarHBondContact O-N 2.84Å; A295-L303 HydrophobicContact CB-CB 3.98Å; A295-L303 HydrophobicContact CB-CD2 3.63Å; A295-L303 HydrophobicContact CB-CG 3.66Å; A295-V304 HydrophobicContact CB-CG2 3.93Å |
| 296 | S | 85 | Confident | 85.5 | Confident | 36 Ų | 36 | 45 Ų | 45 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68 | -39.3 | 175.1 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | H292 H293 K294 Q299 | H292-S296 WeakPolarHBondContact O-CB 3.5Å; H292-S296 PolarHBondContact O-N 3.27Å; H292-S296 PolarHBondContact O-OG 3.24Å; H293-S296 WeakPolarHBondContact O-CB 3.16Å; H293-S296 PolarHBondContact O-N 2.88Å; K294-S296 VanDerWaalsContact C-N 3.27Å; K294-S296 PolarHBondContact O-N 3.05Å; S296-Q299 PolarHBondContact O-N 2.91Å; S296-Q299 PolarHBondContact O-NE2 3.02Å |
| 297 | T | 81.5 | Confident | 85.4 | Confident | 57 Ų | 57 | 41.5 Ų | 41.5 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.8 | -39 | 177.7 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | R121 H293 K294 Q299 | R121-T297 HydrophobicContact CB-CG2 4.46Å; H293-T297 PolarHBondContact O-N 3.32Å; H293-T297 PolarHBondContact O-OG1 3.3Å; K294-T297 WeakPolarHBondContact O-CB 3.23Å; K294-T297 PolarHBondContact O-N 3.13Å; K294-T297 VanDerWaalsContact O-N 3.08Å; T297-Q299 VanDerWaalsContact C-N 3.26Å; T297-Q299 PolarHBondContact O-N 3.5Å |
| 298 | E | 81.9 | Confident | 85.3 | Confident | 104 Ų | 104 | 42.5 Ų | 42.5 | 49% | 0.486 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -1.7 | 175 | -68.9 | -174.4 | -163.4 | 0 | 0 | 113.6 | L254 K294 K300 | L254-E298 HydrophobicContact CD1-CG 4.24Å; L254-E298 WeakPolarHBondContact CD1-OE1 3.29Å; L254-E298 VanDerWaalsContact CD1-OE2 3.31Å; L254-E298 WeakPolarHBondContact CD1-OE2 3.43Å; K294-E298 PolarHBondContact O-N 2.91Å; E298-K300 HydrophobicContact CB-CD 4.36Å; E298-K300 HydrophobicContact CB-CG 4.24Å; E298-K300 PolarHBondContact O-N 3.22Å; E298-K300 WeakPolarHBondContact OE2-CE 3.34Å; E298-K300 IonicContact OE2-NZ 2.77Å; E298-K300 PolarHBondContact OE2-NZ 3.49Å |
| 299 | Q | 77.9 | Confident | 84.9 | Confident | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.6 | -179.6 | -58.3 | -76.2 | -64.8 | 0 | 0 | 113.4 | A295 S296 T297 W301 | A295-Q299 PolarHBondContact O-N 3.32Å; S296-Q299 PolarHBondContact O-N 2.91Å; S296-Q299 PolarHBondContact O-NE2 3.02Å; T297-Q299 VanDerWaalsContact C-N 3.26Å; T297-Q299 PolarHBondContact O-N 3.5Å; Q299-W301 VanDerWaalsContact C-N 3.26Å; Q299-W301 PolarHBondContact O-N 2.79Å |
| 300 | K | 78.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 39 Ų | 39 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | trans | -78.3 | 76.6 | 173.6 | -72.8 | 176.9 | 174.4 | 161.1 | 0 | 109.3 | A295 E298 W302 L303 V304 | A295-K300 PolarHBondContact O-N 2.84Å; E298-K300 HydrophobicContact CB-CD 4.36Å; E298-K300 HydrophobicContact CB-CG 4.24Å; E298-K300 PolarHBondContact O-N 3.22Å; E298-K300 WeakPolarHBondContact OE2-CE 3.34Å; E298-K300 IonicContact OE2-NZ 2.77Å; E298-K300 PolarHBondContact OE2-NZ 3.49Å; K300-W302 VanDerWaalsContact C-N 3.31Å; K300-W302 PolarHBondContact O-N 2.79Å; K300-L303 HydrophobicContact CB-CB 3.98Å; K300-L303 HydrophobicContact CD-CD2 4.42Å; K300-L303 WeakPolarHBondContact O-CA 3.4Å; K300-L303 VanDerWaalsContact O-CB 3.31Å; K300-L303 WeakPolarHBondContact O-CB 3.44Å; K300-L303 PolarHBondContact O-N 2.9Å; K300-V304 PolarHBondContact O-N 3Å | ||
| 301 | W | 80.3 | Confident | 84.4 | Confident | 120 Ų | 120 | 38.8 Ų | 38.8 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.9 | -37.8 | -169.4 | -66.4 | 114.4 | 0 | 0 | 0 | 115.1 | Q299 L303 V304 R305 | Q299-W301 VanDerWaalsContact C-N 3.26Å; Q299-W301 PolarHBondContact O-N 2.79Å; W301-L303 PolarHBondContact O-N 2.93Å; W301-V304 HydrophobicContact CE3-CB 4.49Å; W301-V304 PolarHBondContact O-N 3Å; W301-R305 WeakPolarHBondContact O-CG 2.97Å; W301-R305 PolarHBondContact O-N 3.27Å |
| 302 | W | 80.7 | Confident | 84 | Confident | 67 Ų | 67 | 42.1 Ų | 42.1 | 25% | 0.254 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 175.7 | 78.8 | -99.5 | 0 | 0 | 0 | 110.9 | R156 E255 K300 R305 Y306 | R156-W302 HydrophobicContact CB-CH2 4.48Å; R156-W302 HydrophobicContact CB-CZ3 4.31Å; E255-W302 HydrophobicContact CB-CH2 4.2Å; E255-W302 HydrophobicContact CB-CZ2 3.98Å; E255-W302 HydrophobicContact CG-CH2 4.31Å; E255-W302 HydrophobicContact CG-CZ2 3.62Å; K300-W302 VanDerWaalsContact C-N 3.31Å; K300-W302 PolarHBondContact O-N 2.79Å; W302-R305 PolarHBondContact O-N 3.41Å; W302-Y306 HydrophobicContact CZ3-CG 4.47Å; W302-Y306 WeakPolarHBondContact O-CB 3.25Å; W302-Y306 PolarHBondContact O-N 2.63Å |
| 303 | L | 84.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.4 | -35.5 | 179 | -172.4 | 61.4 | 0 | 0 | 0 | 111.5 | L254 A258 V291 A295 K300 W301 Y306 T307 | L254-L303 HydrophobicContact CB-CD2 3.72Å; A258-L303 HydrophobicContact CB-CD1 3.47Å; A258-L303 VanDerWaalsContact CB-CD1 3.47Å; V291-L303 HydrophobicContact CG1-CD2 4.44Å; A295-L303 HydrophobicContact CB-CB 3.98Å; A295-L303 HydrophobicContact CB-CD2 3.63Å; A295-L303 HydrophobicContact CB-CG 3.66Å; K300-L303 HydrophobicContact CB-CB 3.98Å; K300-L303 HydrophobicContact CD-CD2 4.42Å; K300-L303 WeakPolarHBondContact O-CA 3.4Å; K300-L303 VanDerWaalsContact O-CB 3.31Å; K300-L303 WeakPolarHBondContact O-CB 3.44Å; K300-L303 PolarHBondContact O-N 2.9Å; W301-L303 PolarHBondContact O-N 2.93Å; L303-Y306 HydrophobicContact CD1-CD1 4.2Å; L303-Y306 PolarHBondContact O-N 3.19Å; L303-T307 HydrophobicContact CD1-CG2 4.25Å; L303-T307 HydrophobicContact CG-CG2 4.41Å; L303-T307 WeakPolarHBondContact O-CB 3.4Å; L303-T307 VanDerWaalsContact O-CG2 3.3Å; L303-T307 WeakPolarHBondContact O-CG2 3.25Å; L303-T307 PolarHBondContact O-N 2.71Å; L303-T307 PolarHBondContact O-OG1 3.45Å |
| 304 | V | 86 | Confident | 83.2 | Confident | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 171.4 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | A295 K300 W301 Y306 T307 A308 | A295-V304 HydrophobicContact CB-CG2 3.93Å; K300-V304 PolarHBondContact O-N 3Å; W301-V304 HydrophobicContact CE3-CB 4.49Å; W301-V304 PolarHBondContact O-N 3Å; V304-Y306 VanDerWaalsContact C-N 3.31Å; V304-Y306 PolarHBondContact O-N 2.92Å; V304-T307 PolarHBondContact O-OG1 2.96Å; V304-T307 VanDerWaalsContact O-OG1 3.11Å; V304-A308 WeakPolarHBondContact O-CB 3.43Å; V304-A308 PolarHBondContact O-N 3.32Å |
| 305 | R | 85.7 | Confident | 82.9 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 28% | 0.275 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 176.4 | -72.7 | 177.1 | -176.9 | 109.5 | 1.2 | 111.7 | W301 W302 G309 A382 E386 | W301-R305 WeakPolarHBondContact O-CG 2.97Å; W301-R305 PolarHBondContact O-N 3.27Å; W302-R305 PolarHBondContact O-N 3.41Å; R305-G309 PolarHBondContact O-N 3.48Å; R305-A382 HydrophobicContact CB-CB 3.86Å; R305-A382 HydrophobicContact CG-CB 4.11Å; R305-E386 WeakPolarHBondContact CD-OE1 3.5Å; R305-E386 WeakPolarHBondContact CG-OE1 3.48Å; R305-E386 IonicContact CZ-OE1 2.79Å; R305-E386 IonicContact CZ-OE2 2.71Å; R305-E386 VanDerWaalsContact CZ-OE2 3.29Å; R305-E386 VanDerWaalsContact NE-CD 3.26Å; R305-E386 IonicContact NE-OE1 3.81Å; R305-E386 PolarHBondContact NE-OE1 2.88Å; R305-E386 IonicContact NE-OE2 2.85Å; R305-E386 PolarHBondContact NE-OE2 2.91Å; R305-E386 IonicContact NH2-OE1 2.93Å; R305-E386 IonicContact NH2-OE2 3.44Å; R305-E386 PolarHBondContact NH2-OE2 3.27Å |
| 306 | Y | 83.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -53.4 | -179.9 | 179.5 | -106.4 | 0 | 0 | 0 | 112.5 | R156 A258 E262 W302 L303 V304 A308 G309 L310 K376 L378 | R156-Y306 VanDerWaalsContact NH1-CD2 3.28Å; R156-Y306 PolarHBondContact NH1-OH 3.37Å; R156-Y306 VanDerWaalsContact NH2-CZ 3.34Å; R156-Y306 PolarHBondContact NH2-OH 2.87Å; A258-Y306 HydrophobicContact CB-CD1 4.43Å; A258-Y306 HydrophobicContact CB-CE1 4.31Å; E262-Y306 WeakPolarHBondContact CB-OH 3.32Å; E262-Y306 WeakPolarHBondContact CG-OH 3.24Å; E262-Y306 PolarHBondContact OE1-OH 3.44Å; E262-Y306 PolarHBondContact OE2-OH 2.85Å; E262-Y306 VanDerWaalsContact OE2-OH 3.07Å; W302-Y306 HydrophobicContact CZ3-CG 4.47Å; W302-Y306 WeakPolarHBondContact O-CB 3.25Å; W302-Y306 PolarHBondContact O-N 2.63Å; L303-Y306 HydrophobicContact CD1-CD1 4.2Å; L303-Y306 PolarHBondContact O-N 3.19Å; V304-Y306 VanDerWaalsContact C-N 3.31Å; V304-Y306 PolarHBondContact O-N 2.92Å; Y306-A308 PolarHBondContact O-N 3.48Å; Y306-G309 PolarHBondContact O-N 3.08Å; Y306-L310 PolarHBondContact O-N 2.94Å; Y306-K376 HydrophobicContact CE2-CB 4.49Å; Y306-K376 HydrophobicContact CE2-CD 4.08Å; Y306-L378 HydrophobicContact CD2-CB 4.03Å; Y306-L378 HydrophobicContact CD2-CD1 4.34Å; Y306-L378 HydrophobicContact CE2-CB 4.01Å; Y306-L378 HydrophobicContact CE2-CD1 3.6Å; Y306-L378 HydrophobicContact CE2-CG 4.33Å |
| 307 | T | 87.7 | Confident | 82.6 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 177.8 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | V288 V291 H292 L303 V304 G309 L310 L311 | V288-T307 HydrophobicContact CG1-CG2 4.5Å; V291-T307 HydrophobicContact CG1-CG2 4.04Å; H292-T307 HydrophobicContact CB-CG2 4.48Å; H292-T307 WeakPolarHBondContact CB-OG1 3.4Å; H292-T307 PolarHBondContact ND1-OG1 3.11Å; L303-T307 HydrophobicContact CD1-CG2 4.25Å; L303-T307 HydrophobicContact CG-CG2 4.41Å; L303-T307 WeakPolarHBondContact O-CB 3.4Å; L303-T307 VanDerWaalsContact O-CG2 3.3Å; L303-T307 WeakPolarHBondContact O-CG2 3.25Å; L303-T307 PolarHBondContact O-N 2.71Å; L303-T307 PolarHBondContact O-OG1 3.45Å; V304-T307 PolarHBondContact O-OG1 2.96Å; V304-T307 VanDerWaalsContact O-OG1 3.11Å; T307-G309 VanDerWaalsContact C-N 3.34Å; T307-L310 PolarHBondContact O-N 3.21Å; T307-L311 WeakPolarHBondContact O-CB 3.36Å; T307-L311 WeakPolarHBondContact O-CG 3.23Å; T307-L311 PolarHBondContact O-N 3.05Å |
| 308 | A | 86.6 | Confident | 82.9 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V304 Y306 N312 K313 | V304-A308 WeakPolarHBondContact O-CB 3.43Å; V304-A308 PolarHBondContact O-N 3.32Å; Y306-A308 PolarHBondContact O-N 3.48Å; A308-N312 PolarHBondContact O-N 2.95Å; A308-N312 VanDerWaalsContact O-N 3.09Å; A308-K313 HydrophobicContact CB-CB 4.4Å; A308-K313 PolarHBondContact O-N 3.03Å |
| 309 | G | 82.4 | Confident | 83.3 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R305 Y306 T307 N312 | R305-G309 PolarHBondContact O-N 3.48Å; Y306-G309 PolarHBondContact O-N 3.08Å; T307-G309 VanDerWaalsContact C-N 3.34Å; G309-N312 PolarHBondContact O-N 3.44Å; G309-N312 PolarHBondContact O-OD1 3.37Å |
| 310 | L | 84.8 | Confident | 83.8 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.9 | -168.8 | 60.3 | 0 | 0 | 0 | 112.2 | W265 V288 Y306 T307 N312 L378 | W265-L310 HydrophobicContact CB-CD1 4.21Å; W265-L310 HydrophobicContact CB-CD2 4.42Å; W265-L310 HydrophobicContact CD2-CD1 3.65Å; W265-L310 HydrophobicContact CD2-CD2 4.17Å; W265-L310 HydrophobicContact CD2-CG 3.76Å; W265-L310 HydrophobicContact CE3-CD1 4.31Å; W265-L310 HydrophobicContact CE3-CD2 4.06Å; W265-L310 HydrophobicContact CE3-CG 3.9Å; W265-L310 HydrophobicContact CG-CD1 3.58Å; W265-L310 HydrophobicContact CG-CD2 4.34Å; W265-L310 HydrophobicContact CG-CG 4.14Å; W265-L310 HydrophobicContact CH2-CG 4.45Å; W265-L310 WeakPolarHBondContact CH2-O 3.48Å; W265-L310 HydrophobicContact CZ2-CD1 4.42Å; W265-L310 HydrophobicContact CZ2-CG 4.34Å; W265-L310 WeakPolarHBondContact CZ2-O 3.5Å; W265-L310 HydrophobicContact CZ3-CG 4.22Å; V288-L310 HydrophobicContact CB-CD2 4.45Å; V288-L310 HydrophobicContact CG1-CB 4.36Å; V288-L310 HydrophobicContact CG1-CD2 3.81Å; V288-L310 HydrophobicContact CG1-CG 4.29Å; V288-L310 HydrophobicContact CG2-CD2 3.7Å; Y306-L310 PolarHBondContact O-N 2.94Å; T307-L310 PolarHBondContact O-N 3.21Å; L310-N312 PolarHBondContact O-N 2.61Å; L310-L378 HydrophobicContact CB-CD1 4.15Å; L310-L378 HydrophobicContact CD1-CD1 3.88Å |
| 311 | L | 85.9 | Confident | 84.4 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.4 | 177.5 | -69 | 171.4 | 0 | 0 | 0 | 114 | W265 R285 V288 E289 H292 T307 K313 | W265-L311 HydrophobicContact CH2-CD2 4.2Å; W265-L311 HydrophobicContact CZ3-CD2 4.19Å; R285-L311 HydrophobicContact CG-CD2 4.09Å; V288-L311 HydrophobicContact CB-CD2 4.04Å; V288-L311 HydrophobicContact CB-CG 4.4Å; V288-L311 HydrophobicContact CG1-CD1 3.98Å; V288-L311 HydrophobicContact CG1-CD2 3.75Å; V288-L311 HydrophobicContact CG1-CG 3.58Å; E289-L311 HydrophobicContact CB-CD1 4.5Å; E289-L311 HydrophobicContact CG-CD1 3.76Å; E289-L311 HydrophobicContact CG-CD2 3.75Å; E289-L311 HydrophobicContact CG-CG 4.43Å; H292-L311 HydrophobicContact CB-CD1 4.02Å; T307-L311 WeakPolarHBondContact O-CB 3.36Å; T307-L311 WeakPolarHBondContact O-CG 3.23Å; T307-L311 PolarHBondContact O-N 3.05Å; L311-K313 HydrophobicContact CB-CG 3.93Å; L311-K313 PolarHBondContact O-N 3.44Å |
| 312 | N | 81.8 | Confident | 84.9 | Confident | 69 Ų | 69 | 40 Ų | 40 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 33.9 | -178.8 | -65.6 | -33.8 | 0 | 0 | 0 | 114 | A308 G309 L310 R358 | A308-N312 PolarHBondContact O-N 2.95Å; A308-N312 VanDerWaalsContact O-N 3.09Å; G309-N312 PolarHBondContact O-N 3.44Å; G309-N312 PolarHBondContact O-OD1 3.37Å; L310-N312 PolarHBondContact O-N 2.61Å; N312-R358 VanDerWaalsContact CG-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NE 3.3Å; N312-R358 PolarHBondContact OD1-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NH2 2.85Å |
| 313 | K | 82.1 | Confident | 85.4 | Confident | 98 Ų | 98 | 38.5 Ų | 38.5 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | trans | -65.8 | 136.6 | -176.9 | -68 | -168.1 | 175.1 | -170.3 | 0 | 112.1 | H292 A308 L311 | H292-K313 PolarHBondContact CD2-NZ 2.91Å; H292-K313 PolarHBondContact NE2-NZ 3.33Å; A308-K313 HydrophobicContact CB-CB 4.4Å; A308-K313 PolarHBondContact O-N 3.03Å; L311-K313 HydrophobicContact CB-CG 3.93Å; L311-K313 PolarHBondContact O-N 3.44Å | ||
| 314 | V | 76.5 | Confident | 85.8 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | trans | -123.2 | 144.2 | 175.8 | -159.6 | 0 | 0 | 0 | 0 | 109.5 | P350 L354 | V314-P350 HydrophobicContact CG1-CB 3.82Å; V314-L354 HydrophobicContact CB-CD1 4.36Å; V314-L354 HydrophobicContact CB-CG 4.36Å; V314-L354 HydrophobicContact CG1-CD2 4.38Å; V314-L354 HydrophobicContact CG1-CG 4.17Å; V314-L354 HydrophobicContact CG2-CD1 2.95Å; V314-L354 HydrophobicContact CG2-CD2 3.8Å; V314-L354 HydrophobicContact CG2-CG 3.27Å | ||
| 315 | T | 80.5 | Confident | 86.1 | Confident | 89 Ų | 89 | 38.3 Ų | 38.3 | 55% | 0.546 | 21% | 0.21 | S | C | . | . | trans | -113.9 | 136.9 | 170.5 | -48.9 | 0 | 0 | 0 | 0 | 108.6 | A317 L318 | T315-A317 HydrophobicContact CG2-CB 3.65Å; T315-A317 PolarHBondContact O-N 3.33Å; T315-A317 VanDerWaalsContact O-N 3.11Å; T315-L318 WeakPolarHBondContact O-CB 3.46Å; T315-L318 PolarHBondContact O-N 3.4Å | ||
| 316 | E | 81.4 | Confident | 86.4 | Confident | 151 Ų | 151 | 36.5 Ų | 36.5 | 71% | 0.706 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -56.5 | -25.8 | 173.4 | -62.8 | -178.8 | 170.3 | 0 | 0 | 112.6 | L318 T319 N320 | E316-L318 PolarHBondContact O-N 2.93Å; E316-T319 PolarHBondContact O-N 3.26Å; E316-N320 PolarHBondContact O-N 2.93Å |
| 317 | A | 84.8 | Confident | 86.7 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53.7 | -33.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T315 A321 I389 | T315-A317 HydrophobicContact CG2-CB 3.65Å; T315-A317 PolarHBondContact O-N 3.33Å; T315-A317 VanDerWaalsContact O-N 3.11Å; A317-A321 VanDerWaalsContact O-CB 3.25Å; A317-A321 WeakPolarHBondContact O-CB 3.46Å; A317-A321 PolarHBondContact O-N 3.07Å; A317-I389 HydrophobicContact CB-CD1 4.28Å; A317-I389 HydrophobicContact CB-CG1 4.47Å |
| 318 | L | 88.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -48.8 | 177.6 | 179.9 | 63.8 | 0 | 0 | 0 | 111.4 | T315 E316 N320 A321 V322 L353 I357 H385 L388 I389 | T315-L318 WeakPolarHBondContact O-CB 3.46Å; T315-L318 PolarHBondContact O-N 3.4Å; E316-L318 PolarHBondContact O-N 2.93Å; L318-N320 VanDerWaalsContact C-N 3.31Å; L318-N320 PolarHBondContact O-N 3.25Å; L318-A321 WeakPolarHBondContact O-CB 3.19Å; L318-A321 PolarHBondContact O-N 3.09Å; L318-V322 HydrophobicContact CD1-CG2 4.48Å; L318-V322 WeakPolarHBondContact O-CG2 3.45Å; L318-V322 PolarHBondContact O-N 2.96Å; L318-L353 HydrophobicContact CD2-CD2 3.97Å; L318-L353 HydrophobicContact CD2-CG 4.43Å; L318-L353 HydrophobicContact CG-CD2 3.8Å; L318-I357 HydrophobicContact CD2-CD1 4.12Å; L318-H385 HydrophobicContact CD1-CB 4.2Å; L318-H385 HydrophobicContact CD2-CB 4.23Å; L318-L388 HydrophobicContact CD1-CB 3.65Å; L318-L388 HydrophobicContact CD1-CD1 3.92Å; L318-L388 HydrophobicContact CD1-CG 4.45Å; L318-I389 HydrophobicContact CB-CD1 4.36Å; L318-I389 HydrophobicContact CB-CG1 4.31Å; L318-I389 HydrophobicContact CD1-CG1 4.24Å |
| 319 | T | 89.5 | Confident | 87 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | E316 A321 V322 T323 Q348 P350 | E316-T319 PolarHBondContact O-N 3.26Å; T319-A321 VanDerWaalsContact C-N 3.34Å; T319-A321 PolarHBondContact O-N 2.83Å; T319-V322 PolarHBondContact O-N 2.96Å; T319-T323 VanDerWaalsContact O-CB 3.26Å; T319-T323 WeakPolarHBondContact O-CB 3.44Å; T319-T323 PolarHBondContact O-N 3.45Å; T319-T323 PolarHBondContact O-OG1 3.02Å; T319-Q348 WeakPolarHBondContact CG2-O 3.31Å; T319-P350 WeakPolarHBondContact OG1-CA 3.22Å; T319-P350 WeakPolarHBondContact OG1-CG 3.47Å |
| 320 | N | 89.3 | Confident | 87.4 | Confident | 100 Ų | 100 | 55 Ų | 55 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.4 | -68.4 | -17.8 | 0 | 0 | 0 | 112 | E316 L318 A324 | E316-N320 PolarHBondContact O-N 2.93Å; L318-N320 VanDerWaalsContact C-N 3.31Å; L318-N320 PolarHBondContact O-N 3.25Å; N320-A324 WeakPolarHBondContact O-CB 3.37Å; N320-A324 PolarHBondContact O-N 3.23Å |
| 321 | A | 90.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -49.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A317 L318 T319 T323 A324 L325 I389 | A317-A321 VanDerWaalsContact O-CB 3.25Å; A317-A321 WeakPolarHBondContact O-CB 3.46Å; A317-A321 PolarHBondContact O-N 3.07Å; L318-A321 WeakPolarHBondContact O-CB 3.19Å; L318-A321 PolarHBondContact O-N 3.09Å; T319-A321 VanDerWaalsContact C-N 3.34Å; T319-A321 PolarHBondContact O-N 2.83Å; A321-T323 VanDerWaalsContact C-N 3.32Å; A321-T323 PolarHBondContact O-N 3.31Å; A321-A324 PolarHBondContact O-N 3.28Å; A321-L325 WeakPolarHBondContact O-CG 3.32Å; A321-L325 PolarHBondContact O-N 3.06Å; A321-L325 VanDerWaalsContact O-N 3.09Å; A321-I389 HydrophobicContact CB-CG1 4.43Å |
| 322 | V | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L318 T319 A324 L325 I326 I344 L353 L388 | L318-V322 HydrophobicContact CD1-CG2 4.48Å; L318-V322 WeakPolarHBondContact O-CG2 3.45Å; L318-V322 PolarHBondContact O-N 2.96Å; T319-V322 PolarHBondContact O-N 2.96Å; V322-A324 PolarHBondContact O-N 2.9Å; V322-L325 WeakPolarHBondContact O-CB 3.47Å; V322-L325 PolarHBondContact O-N 3.36Å; V322-I326 HydrophobicContact CG1-CD1 3.69Å; V322-I326 HydrophobicContact CG1-CG1 4.38Å; V322-I326 WeakPolarHBondContact O-CG1 3.44Å; V322-I326 PolarHBondContact O-N 2.84Å; V322-I344 HydrophobicContact CG1-CD1 4.18Å; V322-I344 HydrophobicContact CG1-CG2 4.17Å; V322-L353 HydrophobicContact CB-CD2 4.38Å; V322-L353 HydrophobicContact CG2-CD2 3.94Å; V322-L388 HydrophobicContact CG2-CD1 4.43Å; V322-L388 HydrophobicContact CG2-CD2 4.38Å |
| 323 | T | 91.8 | Very high | 88.5 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | T319 A321 L325 I326 I327 P347 | T319-T323 VanDerWaalsContact O-CB 3.26Å; T319-T323 WeakPolarHBondContact O-CB 3.44Å; T319-T323 PolarHBondContact O-N 3.45Å; T319-T323 PolarHBondContact O-OG1 3.02Å; A321-T323 VanDerWaalsContact C-N 3.32Å; A321-T323 PolarHBondContact O-N 3.31Å; T323-L325 VanDerWaalsContact C-N 3.25Å; T323-L325 PolarHBondContact O-N 2.94Å; T323-I326 PolarHBondContact O-N 3.18Å; T323-I327 HydrophobicContact CG2-CD1 3.61Å; T323-I327 HydrophobicContact CG2-CG1 4.19Å; T323-I327 WeakPolarHBondContact O-CB 3.43Å; T323-I327 VanDerWaalsContact O-CG1 3.28Å; T323-I327 WeakPolarHBondContact O-CG1 3.32Å; T323-I327 PolarHBondContact O-N 3.34Å; T323-P347 HydrophobicContact CG2-CB 4.36Å |
| 324 | A | 90.9 | Very high | 88.8 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -27.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N320 A321 V322 R328 I395 R396 | N320-A324 WeakPolarHBondContact O-CB 3.37Å; N320-A324 PolarHBondContact O-N 3.23Å; A321-A324 PolarHBondContact O-N 3.28Å; V322-A324 PolarHBondContact O-N 2.9Å; A324-R328 PolarHBondContact O-NH1 3.25Å; A324-I395 HydrophobicContact CB-CG2 4.39Å; A324-R396 HydrophobicContact CB-CG 4.22Å |
| 325 | L | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.2 | -49.9 | 172.8 | -68.5 | 169.3 | 0 | 0 | 0 | 110.9 | A321 V322 T323 I327 R328 K330 V332 L388 L391 I395 L408 | A321-L325 WeakPolarHBondContact O-CG 3.32Å; A321-L325 PolarHBondContact O-N 3.06Å; A321-L325 VanDerWaalsContact O-N 3.09Å; V322-L325 WeakPolarHBondContact O-CB 3.47Å; V322-L325 PolarHBondContact O-N 3.36Å; T323-L325 VanDerWaalsContact C-N 3.25Å; T323-L325 PolarHBondContact O-N 2.94Å; L325-I327 PolarHBondContact O-N 3.35Å; L325-R328 PolarHBondContact O-N 2.84Å; L325-K330 WeakPolarHBondContact O-CB 3.34Å; L325-K330 PolarHBondContact O-N 3.44Å; L325-K330 VanDerWaalsContact O-N 3.16Å; L325-V332 HydrophobicContact CB-CG2 3.69Å; L325-V332 HydrophobicContact CD1-CG2 3.68Å; L325-V332 HydrophobicContact CG-CG2 4.26Å; L325-L388 HydrophobicContact CD1-CD2 4.45Å; L325-L391 HydrophobicContact CD1-CB 4.23Å; L325-I395 HydrophobicContact CD2-CB 3.97Å; L325-I395 HydrophobicContact CD2-CD1 3.67Å; L325-I395 HydrophobicContact CD2-CG1 4.39Å; L325-I395 HydrophobicContact CD2-CG2 3.68Å; L325-I395 HydrophobicContact CG-CG2 4.3Å; L325-L408 HydrophobicContact CD1-CD1 4.13Å; L325-L408 HydrophobicContact CD2-CD1 3.45Å; L325-L408 VanDerWaalsContact CD2-CD1 3.45Å; L325-L408 HydrophobicContact CG-CD1 4.35Å |
| 326 | I | 91.8 | Very high | 89.1 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | -176.7 | -64.6 | 169.3 | 0 | 0 | 0 | 112 | V322 T323 R328 Q329 I344 | V322-I326 HydrophobicContact CG1-CD1 3.69Å; V322-I326 HydrophobicContact CG1-CG1 4.38Å; V322-I326 WeakPolarHBondContact O-CG1 3.44Å; V322-I326 PolarHBondContact O-N 2.84Å; T323-I326 PolarHBondContact O-N 3.18Å; I326-R328 PolarHBondContact O-N 2.97Å; I326-Q329 PolarHBondContact O-N 3.22Å; I326-I344 HydrophobicContact CD1-CG2 3.83Å |
| 327 | I | 91.3 | Very high | 88.9 | Confident | 130 Ų | 130 | 38.2 Ų | 38.2 | 67% | 0.667 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -58.6 | -32.2 | 178.3 | -71.9 | 171.1 | 0 | 0 | 0 | 111.7 | T323 L325 Q329 | T323-I327 HydrophobicContact CG2-CD1 3.61Å; T323-I327 HydrophobicContact CG2-CG1 4.19Å; T323-I327 WeakPolarHBondContact O-CB 3.43Å; T323-I327 VanDerWaalsContact O-CG1 3.28Å; T323-I327 WeakPolarHBondContact O-CG1 3.32Å; T323-I327 PolarHBondContact O-N 3.34Å; L325-I327 PolarHBondContact O-N 3.35Å; I327-Q329 PolarHBondContact O-N 3.18Å |
| 328 | R | 89.4 | Confident | 88.4 | Confident | 95 Ų | 95 | 42.7 Ų | 42.7 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 22.2 | 177.7 | -69.1 | 180 | 176.3 | 116.4 | -7.4 | 113.2 | A324 L325 I326 K330 I395 | A324-R328 PolarHBondContact O-NH1 3.25Å; L325-R328 PolarHBondContact O-N 2.84Å; I326-R328 PolarHBondContact O-N 2.97Å; R328-K330 HydrophobicContact CB-CG 4.39Å; R328-K330 PolarHBondContact O-N 2.82Å; R328-I395 HydrophobicContact CB-CD1 3.77Å; R328-I395 VanDerWaalsContact CD-CG1 3.48Å; R328-I395 HydrophobicContact CG-CD1 4.28Å; R328-I395 PolarHBondContact NE-O 3.48Å; R328-I395 VanDerWaalsContact NH1-CG2 3.31Å; R328-I395 PolarHBondContact NH1-O 2.94Å; R328-I395 VanDerWaalsContact NH1-O 3.07Å; R328-I395 PolarHBondContact NH2-O 3.26Å |
| 329 | Q | 90.4 | Very high | 87.7 | Confident | 170 Ų | 170 | 44.7 Ų | 44.7 | 79% | 0.794 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 31.1 | 177.9 | -57.2 | 175.4 | -23.5 | 0 | 0 | 112.8 | I326 I327 | I326-Q329 PolarHBondContact O-N 3.22Å; I327-Q329 PolarHBondContact O-N 3.18Å |
| 330 | K | 91.4 | Very high | 87.2 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | trans | -97.2 | 119.9 | 173.7 | -52.9 | -54.7 | -179.5 | -176.5 | 0 | 109.5 | L325 R328 I395 F402 M405 | L325-K330 WeakPolarHBondContact O-CB 3.34Å; L325-K330 PolarHBondContact O-N 3.44Å; L325-K330 VanDerWaalsContact O-N 3.16Å; R328-K330 HydrophobicContact CB-CG 4.39Å; R328-K330 PolarHBondContact O-N 2.82Å; K330-I395 HydrophobicContact CB-CD1 4.44Å; K330-I395 HydrophobicContact CG-CD1 3.53Å; K330-F402 VanDerWaalsContact CE-O 3.27Å; K330-F402 WeakPolarHBondContact CE-O 3.41Å; K330-F402 PolarHBondContact NZ-O 2.7Å; K330-M405 WeakPolarHBondContact CD-O 3Å; K330-M405 WeakPolarHBondContact CE-O 3.48Å; K330-M405 PolarHBondContact NZ-O 3.23Å | ||
| 331 | E | 92 | Very high | 87.1 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.2 | 172.5 | -63.5 | -168.3 | 144.9 | 0 | 0 | 109.6 | L406 R407 L408 | E331-L406 PolarHBondContact N-O 3.36Å; E331-R407 HydrophobicContact CB-CB 4.15Å; E331-R407 HydrophobicContact CB-CG 4.09Å; E331-R407 CarbonylContact O-C 3.48Å; E331-R407 VanDerWaalsContact O-CA 3.31Å; E331-R407 WeakPolarHBondContact O-CA 3.17Å; E331-R407 IonicContact OE2-CZ 3.23Å; E331-R407 VanDerWaalsContact OE2-CZ 3.23Å; E331-R407 IonicContact OE2-NE 3.2Å; E331-R407 PolarHBondContact OE2-NE 3.24Å; E331-R407 IonicContact OE2-NH2 2.75Å; E331-R407 PolarHBondContact OE2-NH2 3.27Å; E331-L408 PolarHBondContact O-N 3.14Å |
| 332 | V | 92.8 | Very high | 87 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.6 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | L325 I344 L388 V410 | L325-V332 HydrophobicContact CB-CG2 3.69Å; L325-V332 HydrophobicContact CD1-CG2 3.68Å; L325-V332 HydrophobicContact CG-CG2 4.26Å; V332-I344 HydrophobicContact CB-CD1 4.44Å; V332-I344 HydrophobicContact CG1-CD1 4.2Å; V332-I344 PolarHBondContact O-N 3.16Å; V332-L388 HydrophobicContact CG1-CD2 3.59Å; V332-V410 HydrophobicContact CG1-CG2 3.95Å |
| 333 | T | 91.4 | Very high | 87 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.5 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | E341 K342 R343 R407 L408 R409 V410 | T333-E341 WeakPolarHBondContact CB-OE1 3.03Å; T333-E341 HydrophobicContact CG2-CG 4.21Å; T333-E341 PolarHBondContact OG1-OE1 2.92Å; T333-K342 WeakPolarHBondContact CA-O 3.24Å; T333-R343 HydrophobicContact CG2-CB 3.95Å; T333-R407 HydrophobicContact CG2-CG 3.91Å; T333-L408 PolarHBondContact N-O 3.38Å; T333-L408 PolarHBondContact OG1-O 3.4Å; T333-R409 WeakPolarHBondContact OG1-CA 3.34Å; T333-V410 WeakPolarHBondContact O-CB 3.41Å; T333-V410 WeakPolarHBondContact O-CG2 3.24Å; T333-V410 PolarHBondContact O-N 3.49Å |
| 334 | I | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141 | 178.3 | -65.8 | 158.1 | 0 | 0 | 0 | 108.6 | E341 K342 I344 F356 I357 V360 F384 | I334-E341 WeakPolarHBondContact O-CA 3.46Å; I334-K342 PolarHBondContact N-O 3.04Å; I334-K342 PolarHBondContact O-N 3.44Å; I334-I344 HydrophobicContact CD1-CD1 3.39Å; I334-I344 HydrophobicContact CD1-CG1 4Å; I334-I344 HydrophobicContact CG1-CD1 4.25Å; I334-F356 HydrophobicContact CB-CE1 4.32Å; I334-F356 HydrophobicContact CD1-CD1 3.77Å; I334-F356 HydrophobicContact CD1-CE1 3.62Å; I334-F356 HydrophobicContact CG1-CE1 4.48Å; I334-I357 HydrophobicContact CD1-CD1 4.29Å; I334-I357 HydrophobicContact CD1-CG1 3.51Å; I334-V360 HydrophobicContact CG2-CB 4.23Å; I334-V360 HydrophobicContact CG2-CG1 4.08Å; I334-F384 HydrophobicContact CG2-CD1 4.12Å; I334-F384 HydrophobicContact CG2-CE1 4.1Å |
| 335 | G | 82.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.8 | -168.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R340 G411 | G335-R340 CarbonylContact C-O 3.14Å; G335-R340 VanDerWaalsContact CA-O 3.28Å; G335-R340 WeakPolarHBondContact CA-O 3.39Å; G335-G411 VanDerWaalsContact O-CA 3.3Å; G335-G411 WeakPolarHBondContact O-CA 3.35Å |
| 336 | L | 80.6 | Confident | 86.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.7 | -174 | -80.2 | 157.5 | 0 | 0 | 0 | 110.1 | N338 V339 R340 M369 L370 L412 Q415 | L336-N338 PolarHBondContact O-N 3.38Å; L336-V339 HydrophobicContact CB-CG2 4.49Å; L336-V339 PolarHBondContact O-N 3.14Å; L336-V339 VanDerWaalsContact O-N 3.07Å; L336-R340 PolarHBondContact N-O 2.89Å; L336-R340 CarbonylContact O-C 3.19Å; L336-R340 PolarHBondContact O-N 3.23Å; L336-M369 HydrophobicContact CB-CE 3.84Å; L336-M369 HydrophobicContact CD1-CE 3.61Å; L336-M369 HydrophobicContact CD2-CE 4.08Å; L336-M369 HydrophobicContact CG-CE 4.05Å; L336-L370 HydrophobicContact CD1-CD1 3.77Å; L336-L370 HydrophobicContact CD1-CD2 3.77Å; L336-L370 HydrophobicContact CD1-CG 3.45Å; L336-L370 VanDerWaalsContact CD1-CG 3.45Å; L336-L412 HydrophobicContact CD2-CD2 4.06Å; L336-Q415 HydrophobicContact CD2-CB 4.37Å |
| 337 | P | 77.2 | Confident | 85.9 | Confident | 47 Ų | 47 | 62.8 Ų | 62.8 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -38.3 | -177.6 | -24.3 | 31 | 0 | 0 | 0 | 113.5 | V339 E341 L412 | P337-V339 PolarHBondContact O-N 3.14Å; P337-E341 WeakPolarHBondContact CG-OE2 3.07Å; P337-L412 HydrophobicContact CG-CD1 4.09Å; P337-L412 HydrophobicContact CG-CD2 4.09Å; P337-L412 HydrophobicContact CG-CG 4.11Å |
| 338 | N | 73.9 | Confident | 85.7 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 71% | 0.711 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -3.1 | -175.4 | -56.4 | -13.8 | 0 | 0 | 0 | 113.7 | L336 M369 | L336-N338 PolarHBondContact O-N 3.38Å; N338-M369 HydrophobicContact CB-CE 4.04Å |
| 339 | V | 74.2 | Confident | 85.6 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -63.1 | -175.1 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | L336 P337 Q365 C366 M369 | L336-V339 HydrophobicContact CB-CG2 4.49Å; L336-V339 PolarHBondContact O-N 3.14Å; L336-V339 VanDerWaalsContact O-N 3.07Å; P337-V339 PolarHBondContact O-N 3.14Å; V339-Q365 VanDerWaalsContact CG1-C 3.42Å; V339-Q365 HydrophobicContact CG1-CB 3.52Å; V339-C366 VanDerWaalsContact CB-SG 3.55Å; V339-C366 HydrophobicContact CG1-CB 4.1Å; V339-C366 VanDerWaalsContact CG1-N 3.34Å; V339-C366 WeakPolarHBondContact CG1-SG 3.49Å; V339-M369 HydrophobicContact CG2-CB 4.47Å; V339-M369 HydrophobicContact CG2-CE 3.87Å; V339-M369 HydrophobicContact CG2-SD 4.36Å |
| 340 | R | 79 | Confident | 85.3 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 32% | 0.317 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 115.8 | 178.7 | -178.2 | 178.4 | -70.1 | 175.8 | 5.1 | 108 | G335 L336 K342 S359 V360 D363 | G335-R340 CarbonylContact C-O 3.14Å; G335-R340 VanDerWaalsContact CA-O 3.28Å; G335-R340 WeakPolarHBondContact CA-O 3.39Å; L336-R340 PolarHBondContact N-O 2.89Å; L336-R340 CarbonylContact O-C 3.19Å; L336-R340 PolarHBondContact O-N 3.23Å; R340-K342 HydrophobicContact CG-CG 4.43Å; R340-S359 PolarHBondContact NH1-O 2.87Å; R340-V360 HydrophobicContact CG-CG1 4.39Å; R340-D363 IonicContact CZ-OD2 3.56Å; R340-D363 IonicContact NH1-OD1 3.69Å; R340-D363 IonicContact NH1-OD2 2.71Å; R340-D363 PolarHBondContact NH1-OD2 3.39Å; R340-D363 IonicContact NH2-OD2 3.73Å; R340-D363 PolarHBondContact NH2-OD2 3.4Å |
| 341 | E | 85.4 | Confident | 85 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.2 | 173.5 | -175.8 | 176 | -166.8 | 0 | 0 | 107.9 | T333 I334 P337 R409 | T333-E341 WeakPolarHBondContact CB-OE1 3.03Å; T333-E341 HydrophobicContact CG2-CG 4.21Å; T333-E341 PolarHBondContact OG1-OE1 2.92Å; I334-E341 WeakPolarHBondContact O-CA 3.46Å; P337-E341 WeakPolarHBondContact CG-OE2 3.07Å; E341-R409 WeakPolarHBondContact OE1-CD 3.33Å; E341-R409 WeakPolarHBondContact OE1-CG 3.37Å; E341-R409 IonicContact OE1-NE 2.83Å |
| 342 | K | 89.1 | Confident | 84.8 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.4 | 173.4 | -64.4 | -167.3 | -170.1 | 169.5 | 0 | 110.1 | T333 I334 R340 F356 V360 | T333-K342 WeakPolarHBondContact CA-O 3.24Å; I334-K342 PolarHBondContact N-O 3.04Å; I334-K342 PolarHBondContact O-N 3.44Å; R340-K342 HydrophobicContact CG-CG 4.43Å; K342-F356 HydrophobicContact CB-CE1 4.23Å; K342-F356 HydrophobicContact CB-CE2 3.97Å; K342-F356 HydrophobicContact CB-CZ 3.4Å; K342-F356 VanDerWaalsContact CB-CZ 3.4Å; K342-F356 HydrophobicContact CD-CE2 4.02Å; K342-F356 HydrophobicContact CD-CZ 4.26Å; K342-F356 HydrophobicContact CG-CZ 4.48Å; K342-V360 HydrophobicContact CB-CG2 3.84Å; K342-V360 HydrophobicContact CD-CG2 3.59Å; K342-V360 HydrophobicContact CG-CG2 3.76Å |
| 343 | R | 90.8 | Very high | 84.6 | Confident | 148 Ų | 148 | 60.5 Ų | 60.5 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 135.6 | 177.5 | 70.3 | -171.8 | -130.6 | -77.7 | 1.8 | 111.6 | T333 V345 | T333-R343 HydrophobicContact CG2-CB 3.95Å; R343-V345 HydrophobicContact CG-CG2 3.87Å |
| 344 | I | 89.4 | Confident | 84.2 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 5% | 0.046 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.6 | 167.3 | -57.3 | 165.5 | 0 | 0 | 0 | 107.1 | V322 I326 V332 I334 S346 L353 F356 | V322-I344 HydrophobicContact CG1-CD1 4.18Å; V322-I344 HydrophobicContact CG1-CG2 4.17Å; I326-I344 HydrophobicContact CD1-CG2 3.83Å; V332-I344 HydrophobicContact CB-CD1 4.44Å; V332-I344 HydrophobicContact CG1-CD1 4.2Å; V332-I344 PolarHBondContact O-N 3.16Å; I334-I344 HydrophobicContact CD1-CD1 3.39Å; I334-I344 HydrophobicContact CD1-CG1 4Å; I334-I344 HydrophobicContact CG1-CD1 4.25Å; I344-S346 VanDerWaalsContact CG2-O 3.3Å; I344-S346 WeakPolarHBondContact CG2-O 3.27Å; I344-L353 HydrophobicContact CD1-CD1 3.82Å; I344-F356 HydrophobicContact CD1-CE1 4.41Å; I344-F356 HydrophobicContact CG1-CD1 4.22Å; I344-F356 HydrophobicContact CG1-CE1 3.67Å; I344-F356 HydrophobicContact CG1-CZ 4.14Å |
| 345 | V | 82.5 | Confident | 84 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | trans | -91.5 | -33 | -176.2 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | R343 | R343-V345 HydrophobicContact CG-CG2 3.87Š| ||
| 346 | S | 86.6 | Confident | 84.3 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -136.7 | 153.6 | -173.8 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | I344 Q348 | I344-S346 VanDerWaalsContact CG2-O 3.3Å; I344-S346 WeakPolarHBondContact CG2-O 3.27Å; S346-Q348 WeakPolarHBondContact O-CG 3.33Å; S346-Q348 PolarHBondContact O-N 3.37Å; S346-Q348 PolarHBondContact O-NE2 2.95Å; S346-Q348 PolarHBondContact OG-NE2 3.21Å |
| 347 | P | 86.9 | Confident | 84.4 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | trans | -61 | 124.3 | 175.3 | 25.5 | -33.5 | 0 | 0 | 0 | 109.8 | T323 | T323-P347 HydrophobicContact CG2-CB 4.36Š| ||
| 348 | Q | 86.4 | Confident | 84.6 | Confident | 59 Ų | 59 | 68 Ų | 68 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | trans | -105.9 | 146.2 | -179.9 | -60.3 | -64.8 | -61.3 | 0 | 0 | 109.9 | T319 S346 E352 L353 | T319-Q348 WeakPolarHBondContact CG2-O 3.31Å; S346-Q348 WeakPolarHBondContact O-CG 3.33Å; S346-Q348 PolarHBondContact O-N 3.37Å; S346-Q348 PolarHBondContact O-NE2 2.95Å; S346-Q348 PolarHBondContact OG-NE2 3.21Å; Q348-E352 HydrophobicContact CB-CB 4.43Å; Q348-E352 PolarHBondContact OE1-OE2 3.21Å; Q348-L353 HydrophobicContact CB-CB 4.18Å | ||
| 349 | P | 86.9 | Confident | 85 | Confident | 59 Ų | 59 | 63.7 Ų | 63.7 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | trans | -63.3 | 157.3 | 173.5 | 27.2 | -33.3 | 0 | 0 | 0 | 111.2 | K351 E352 L353 | P349-K351 VanDerWaalsContact C-N 3.27Å; P349-K351 PolarHBondContact O-N 2.77Å; P349-K351 VanDerWaalsContact O-N 3.11Å; P349-E352 VanDerWaalsContact CD-OE2 3.24Å; P349-E352 WeakPolarHBondContact CD-OE2 3.33Å; P349-E352 HydrophobicContact CG-CB 3.88Å; P349-E352 HydrophobicContact CG-CG 3.75Å; P349-E352 WeakPolarHBondContact CG-OE1 3.48Å; P349-E352 WeakPolarHBondContact CG-OE2 3.32Å; P349-E352 PolarHBondContact O-N 3.08Å; P349-E352 VanDerWaalsContact O-N 3.1Å; P349-L353 WeakPolarHBondContact O-CB 3.17Å; P349-L353 PolarHBondContact O-N 3.03Å | ||
| 350 | P | 84.5 | Confident | 85.4 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 29% | 0.292 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.6 | -37.1 | -170.1 | -23.2 | 28.4 | 0 | 0 | 0 | 114.7 | V314 T319 L354 | V314-P350 HydrophobicContact CG1-CB 3.82Å; T319-P350 WeakPolarHBondContact OG1-CA 3.22Å; T319-P350 WeakPolarHBondContact OG1-CG 3.47Å; P350-L354 PolarHBondContact O-N 2.74Å; P350-L354 VanDerWaalsContact O-N 3.14Å |
| 351 | K | 85.4 | Confident | 85.3 | Confident | 177 Ų | 177 | 57.6 Ų | 57.6 | 77% | 0.77 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.6 | -41 | 179.9 | -66.3 | -177 | 180 | 179 | 0 | 112.5 | P349 L354 T355 | P349-K351 VanDerWaalsContact C-N 3.27Å; P349-K351 PolarHBondContact O-N 2.77Å; P349-K351 VanDerWaalsContact O-N 3.11Å; K351-L354 WeakPolarHBondContact O-CB 3.33Å; K351-T355 PolarHBondContact O-N 2.68Å; K351-T355 VanDerWaalsContact O-N 3.17Å; K351-T355 PolarHBondContact O-OG1 2.71Å |
| 352 | E | 87.8 | Confident | 84.4 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 178.5 | -70.3 | 170.7 | -153.4 | 0 | 0 | 110.7 | Q348 P349 L354 T355 F356 | Q348-E352 HydrophobicContact CB-CB 4.43Å; Q348-E352 PolarHBondContact OE1-OE2 3.21Å; P349-E352 VanDerWaalsContact CD-OE2 3.24Å; P349-E352 WeakPolarHBondContact CD-OE2 3.33Å; P349-E352 HydrophobicContact CG-CB 3.88Å; P349-E352 HydrophobicContact CG-CG 3.75Å; P349-E352 WeakPolarHBondContact CG-OE1 3.48Å; P349-E352 WeakPolarHBondContact CG-OE2 3.32Å; P349-E352 PolarHBondContact O-N 3.08Å; P349-E352 VanDerWaalsContact O-N 3.1Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 2.88Å; E352-T355 PolarHBondContact O-N 3.42Å; E352-F356 WeakPolarHBondContact O-CB 3.45Å; E352-F356 PolarHBondContact O-N 2.77Å |
| 353 | L | 87.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 175.4 | -176.2 | 59.6 | 0 | 0 | 0 | 112 | L318 V322 I344 Q348 P349 F356 I357 | L318-L353 HydrophobicContact CD2-CD2 3.97Å; L318-L353 HydrophobicContact CD2-CG 4.43Å; L318-L353 HydrophobicContact CG-CD2 3.8Å; V322-L353 HydrophobicContact CB-CD2 4.38Å; V322-L353 HydrophobicContact CG2-CD2 3.94Å; I344-L353 HydrophobicContact CD1-CD1 3.82Å; Q348-L353 HydrophobicContact CB-CB 4.18Å; P349-L353 WeakPolarHBondContact O-CB 3.17Å; P349-L353 PolarHBondContact O-N 3.03Å; L353-F356 WeakPolarHBondContact O-CB 3.25Å; L353-F356 PolarHBondContact O-N 3.29Å; L353-I357 HydrophobicContact CD1-CD1 4.24Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 VanDerWaalsContact O-CG1 3.28Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 3.35Å |
| 354 | L | 83.1 | Confident | 81.5 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -51.9 | 171.9 | -89.8 | -162.1 | 0 | 0 | 0 | 112.7 | V314 P350 K351 E352 F356 I357 R358 H385 | V314-L354 HydrophobicContact CB-CD1 4.36Å; V314-L354 HydrophobicContact CB-CG 4.36Å; V314-L354 HydrophobicContact CG1-CD2 4.38Å; V314-L354 HydrophobicContact CG1-CG 4.17Å; V314-L354 HydrophobicContact CG2-CD1 2.95Å; V314-L354 HydrophobicContact CG2-CD2 3.8Å; V314-L354 HydrophobicContact CG2-CG 3.27Å; P350-L354 PolarHBondContact O-N 2.74Å; P350-L354 VanDerWaalsContact O-N 3.14Å; K351-L354 WeakPolarHBondContact O-CB 3.33Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 2.88Å; L354-F356 PolarHBondContact O-N 2.9Å; L354-I357 PolarHBondContact O-N 3.3Å; L354-R358 WeakPolarHBondContact O-CB 3.16Å; L354-R358 WeakPolarHBondContact O-CG 3.43Å; L354-R358 PolarHBondContact O-N 2.8Å; L354-H385 WeakPolarHBondContact CD2-CE1 3.11Å |
| 355 | T | 85.4 | Confident | 79.8 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 57% | 0.571 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.6 | -37.5 | -176.8 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | K351 E352 S359 | K351-T355 PolarHBondContact O-N 2.68Å; K351-T355 VanDerWaalsContact O-N 3.17Å; K351-T355 PolarHBondContact O-OG1 2.71Å; E352-T355 PolarHBondContact O-N 3.42Å; T355-S359 VanDerWaalsContact O-CB 3.27Å; T355-S359 WeakPolarHBondContact O-CB 3.43Å; T355-S359 PolarHBondContact O-N 3.1Å |
| 356 | F | 87.3 | Confident | 78.3 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -55.4 | 171.9 | -178.9 | -92 | 0 | 0 | 0 | 111.9 | I334 K342 I344 E352 L353 L354 R358 S359 V360 | I334-F356 HydrophobicContact CB-CE1 4.32Å; I334-F356 HydrophobicContact CD1-CD1 3.77Å; I334-F356 HydrophobicContact CD1-CE1 3.62Å; I334-F356 HydrophobicContact CG1-CE1 4.48Å; K342-F356 HydrophobicContact CB-CE1 4.23Å; K342-F356 HydrophobicContact CB-CE2 3.97Å; K342-F356 HydrophobicContact CB-CZ 3.4Å; K342-F356 VanDerWaalsContact CB-CZ 3.4Å; K342-F356 HydrophobicContact CD-CE2 4.02Å; K342-F356 HydrophobicContact CD-CZ 4.26Å; K342-F356 HydrophobicContact CG-CZ 4.48Å; I344-F356 HydrophobicContact CD1-CE1 4.41Å; I344-F356 HydrophobicContact CG1-CD1 4.22Å; I344-F356 HydrophobicContact CG1-CE1 3.67Å; I344-F356 HydrophobicContact CG1-CZ 4.14Å; E352-F356 WeakPolarHBondContact O-CB 3.45Å; E352-F356 PolarHBondContact O-N 2.77Å; L353-F356 WeakPolarHBondContact O-CB 3.25Å; L353-F356 PolarHBondContact O-N 3.29Å; L354-F356 PolarHBondContact O-N 2.9Å; F356-R358 VanDerWaalsContact C-N 3.32Å; F356-R358 PolarHBondContact O-N 2.94Å; F356-S359 PolarHBondContact O-N 2.69Å; F356-S359 VanDerWaalsContact O-N 3.13Å; F356-S359 PolarHBondContact O-OG 3.49Å; F356-V360 HydrophobicContact CE1-CG2 4.29Å; F356-V360 HydrophobicContact CZ-CG2 4.46Å; F356-V360 WeakPolarHBondContact O-CG2 3.48Å; F356-V360 PolarHBondContact O-N 3.1Å; F356-V360 VanDerWaalsContact O-N 3.13Å |
| 357 | I | 84.2 | Confident | 76.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.6 | -47.8 | 179.6 | -69 | 163.4 | 0 | 0 | 0 | 110.2 | L318 I334 L353 L354 S359 V360 M361 H385 L388 | L318-I357 HydrophobicContact CD2-CD1 4.12Å; I334-I357 HydrophobicContact CD1-CD1 4.29Å; I334-I357 HydrophobicContact CD1-CG1 3.51Å; L353-I357 HydrophobicContact CD1-CD1 4.24Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 VanDerWaalsContact O-CG1 3.28Å; L353-I357 WeakPolarHBondContact O-CG1 3.42Å; L353-I357 PolarHBondContact O-N 3.35Å; L354-I357 PolarHBondContact O-N 3.3Å; I357-S359 PolarHBondContact O-N 3.4Å; I357-V360 PolarHBondContact O-N 2.88Å; I357-M361 HydrophobicContact CG2-CG 4.25Å; I357-M361 WeakPolarHBondContact O-CB 3.39Å; I357-M361 WeakPolarHBondContact O-CG 3.32Å; I357-M361 PolarHBondContact O-N 3.49Å; I357-H385 WeakPolarHBondContact CD1-NE2 3.36Å; I357-L388 HydrophobicContact CD1-CD1 4.38Å |
| 358 | R | 81.1 | Confident | 74.9 | Confident | 56 Ų | 56 | 58 Ų | 58 | 21% | 0.211 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.8 | -71.9 | -174.4 | -173.9 | 131.7 | 20 | 112.2 | N312 L354 F356 V360 M361 S362 | N312-R358 VanDerWaalsContact CG-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NE 3.3Å; N312-R358 PolarHBondContact OD1-NH1 3.27Å; N312-R358 PolarHBondContact OD1-NH2 2.85Å; L354-R358 WeakPolarHBondContact O-CB 3.16Å; L354-R358 WeakPolarHBondContact O-CG 3.43Å; L354-R358 PolarHBondContact O-N 2.8Å; F356-R358 VanDerWaalsContact C-N 3.32Å; F356-R358 PolarHBondContact O-N 2.94Å; R358-V360 PolarHBondContact O-N 3.1Å; R358-V360 VanDerWaalsContact O-N 3.16Å; R358-M361 PolarHBondContact O-N 3.24Å; R358-M361 VanDerWaalsContact O-N 3.07Å; R358-S362 VanDerWaalsContact O-CB 3.24Å; R358-S362 WeakPolarHBondContact O-CB 3.22Å; R358-S362 PolarHBondContact O-N 3.09Å; R358-S362 PolarHBondContact O-OG 3.22Å |
| 359 | S | 82.8 | Confident | 73.1 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -28.6 | 179.1 | 79.3 | 0 | 0 | 0 | 0 | 113.2 | R340 T355 F356 I357 | R340-S359 PolarHBondContact NH1-O 2.87Å; T355-S359 VanDerWaalsContact O-CB 3.27Å; T355-S359 WeakPolarHBondContact O-CB 3.43Å; T355-S359 PolarHBondContact O-N 3.1Å; F356-S359 PolarHBondContact O-N 2.69Å; F356-S359 VanDerWaalsContact O-N 3.13Å; F356-S359 PolarHBondContact O-OG 3.49Å; I357-S359 PolarHBondContact O-N 3.4Å |
| 360 | V | 82.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.7 | -39.8 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | I334 R340 K342 F356 I357 R358 | I334-V360 HydrophobicContact CG2-CB 4.23Å; I334-V360 HydrophobicContact CG2-CG1 4.08Å; R340-V360 HydrophobicContact CG-CG1 4.39Å; K342-V360 HydrophobicContact CB-CG2 3.84Å; K342-V360 HydrophobicContact CD-CG2 3.59Å; K342-V360 HydrophobicContact CG-CG2 3.76Å; F356-V360 HydrophobicContact CE1-CG2 4.29Å; F356-V360 HydrophobicContact CZ-CG2 4.46Å; F356-V360 WeakPolarHBondContact O-CG2 3.48Å; F356-V360 PolarHBondContact O-N 3.1Å; F356-V360 VanDerWaalsContact O-N 3.13Å; I357-V360 PolarHBondContact O-N 2.88Å; R358-V360 PolarHBondContact O-N 3.1Å; R358-V360 VanDerWaalsContact O-N 3.16Å |
| 361 | M | 75.7 | Confident | 69.8 | Low | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -85.8 | -27.7 | -172.1 | -64 | -58.3 | -65.6 | 0 | 0 | 114.4 | I357 R358 D363 L370 L377 K380 F384 | I357-M361 HydrophobicContact CG2-CG 4.25Å; I357-M361 WeakPolarHBondContact O-CB 3.39Å; I357-M361 WeakPolarHBondContact O-CG 3.32Å; I357-M361 PolarHBondContact O-N 3.49Å; R358-M361 PolarHBondContact O-N 3.24Å; R358-M361 VanDerWaalsContact O-N 3.07Å; M361-D363 PolarHBondContact O-N 3.46Å; M361-L370 HydrophobicContact CE-CD1 3.97Å; M361-L377 HydrophobicContact CB-CD1 4.15Å; M361-L377 WeakPolarHBondContact O-CD1 3.3Å; M361-K380 HydrophobicContact CE-CB 3.71Å; M361-K380 HydrophobicContact CE-CD 3.95Å; M361-K380 HydrophobicContact CE-CG 4.44Å; M361-F384 HydrophobicContact CE-CD2 3.78Å; M361-F384 HydrophobicContact CE-CE2 3.32Å; M361-F384 HydrophobicContact CE-CZ 4.06Å; M361-F384 HydrophobicContact SD-CD2 4.12Å; M361-F384 HydrophobicContact SD-CE1 4.48Å; M361-F384 HydrophobicContact SD-CE2 3.67Å; M361-F384 HydrophobicContact SD-CZ 3.85Å |
| 362 | S | 67.5 | Low | 68.1 | Low | 59 Ų | 59 | 52 Ų | 52 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -68.9 | -15.1 | -173.8 | -69.5 | 0 | 0 | 0 | 0 | 114.7 | R358 | R358-S362 VanDerWaalsContact O-CB 3.24Å; R358-S362 WeakPolarHBondContact O-CB 3.22Å; R358-S362 PolarHBondContact O-N 3.09Å; R358-S362 PolarHBondContact O-OG 3.22Å |
| 363 | D | 61 | Low | 66.4 | Low | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -82.6 | 126.8 | -178.1 | -80.1 | 28.2 | 0 | 0 | 0 | 110.8 | R340 M361 Q365 C366 G367 | R340-D363 IonicContact CZ-OD2 3.56Å; R340-D363 IonicContact NH1-OD1 3.69Å; R340-D363 IonicContact NH1-OD2 2.71Å; R340-D363 PolarHBondContact NH1-OD2 3.39Å; R340-D363 IonicContact NH2-OD2 3.73Å; R340-D363 PolarHBondContact NH2-OD2 3.4Å; M361-D363 PolarHBondContact O-N 3.46Å; D363-Q365 PolarHBondContact O-N 3.4Å; D363-C366 PolarHBondContact O-N 2.78Å; D363-G367 PolarHBondContact O-N 3.1Å |
| 364 | D | 57 | Low | 64.7 | Low | 137 Ų | 137 | 49.5 Ų | 49.5 | 73% | 0.733 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -51.7 | -26 | -171.2 | -74.5 | -32.4 | 0 | 0 | 0 | 113.8 | G367 V368 | D364-G367 CarbonylContact O-C 3.59Å; D364-G367 WeakPolarHBondContact O-CA 3.34Å; D364-G367 PolarHBondContact O-N 3.19Å; D364-V368 WeakPolarHBondContact O-CG2 3.5Å; D364-V368 PolarHBondContact O-N 2.92Å |
| 365 | Q | 54.5 | Low | 63.4 | Low | 147 Ų | 147 | 51 Ų | 51 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -71.7 | -40 | 177.6 | -58.1 | -170.2 | 7.8 | 0 | 0 | 112.2 | V339 D363 G367 V368 | V339-Q365 VanDerWaalsContact CG1-C 3.42Å; V339-Q365 HydrophobicContact CG1-CB 3.52Å; D363-Q365 PolarHBondContact O-N 3.4Å; Q365-G367 VanDerWaalsContact C-N 3.25Å; Q365-V368 PolarHBondContact O-N 3.11Å |
| 366 | C | 51.5 | Low | 62.3 | Low | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.3 | -31.3 | 174.4 | -89.1 | 0 | 0 | 0 | 0 | 109.6 | V339 D363 | V339-C366 VanDerWaalsContact CB-SG 3.55Å; V339-C366 HydrophobicContact CG1-CB 4.1Å; V339-C366 VanDerWaalsContact CG1-N 3.34Å; V339-C366 WeakPolarHBondContact CG1-SG 3.49Å; D363-C366 PolarHBondContact O-N 2.78Å |
| 367 | G | 51.5 | Low | 61 | Low | 8 Ų | 8 | 49.7 Ų | 49.7 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -43.8 | -76.3 | 160 | 0 | 0 | 0 | 0 | 0 | 110.5 | D363 D364 Q365 M369 L370 T371 K380 | D363-G367 PolarHBondContact O-N 3.1Å; D364-G367 CarbonylContact O-C 3.59Å; D364-G367 WeakPolarHBondContact O-CA 3.34Å; D364-G367 PolarHBondContact O-N 3.19Å; Q365-G367 VanDerWaalsContact C-N 3.25Å; G367-M369 PolarHBondContact O-N 3.02Å; G367-L370 CarbonylContact O-C 3.57Å; G367-L370 PolarHBondContact O-N 3.02Å; G367-T371 VanDerWaalsContact O-CB 3.27Å; G367-T371 WeakPolarHBondContact O-CB 3.21Å; G367-T371 PolarHBondContact O-N 3.36Å; G367-T371 PolarHBondContact O-OG1 2.88Å; G367-K380 PolarHBondContact O-NZ 3.45Å |
| 368 | V | 49.8 | Very low | 60.1 | Low | 93 Ų | 93 | 51.3 Ų | 51.3 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -51 | -47.6 | -166.1 | 171.6 | 0 | 0 | 0 | 0 | 113.3 | D364 Q365 L370 T371 Q372 | D364-V368 WeakPolarHBondContact O-CG2 3.5Å; D364-V368 PolarHBondContact O-N 2.92Å; Q365-V368 PolarHBondContact O-N 3.11Å; V368-L370 VanDerWaalsContact C-N 3.34Å; V368-L370 PolarHBondContact O-N 3.17Å; V368-T371 CarbonylContact O-C 3.43Å; V368-T371 PolarHBondContact O-N 3.22Å; V368-T371 VanDerWaalsContact O-N 3.08Å; V368-Q372 PolarHBondContact O-N 3.41Å |
| 369 | M | 49.6 | Very low | 59.7 | Low | 52 Ų | 52 | 49.2 Ų | 49.2 | 26% | 0.256 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.2 | -31.4 | -177.4 | -160.6 | 162.6 | 75.8 | 0 | 0 | 113.2 | L336 N338 V339 G367 | L336-M369 HydrophobicContact CB-CE 3.84Å; L336-M369 HydrophobicContact CD1-CE 3.61Å; L336-M369 HydrophobicContact CD2-CE 4.08Å; L336-M369 HydrophobicContact CG-CE 4.05Å; N338-M369 HydrophobicContact CB-CE 4.04Å; V339-M369 HydrophobicContact CG2-CB 4.47Å; V339-M369 HydrophobicContact CG2-CE 3.87Å; V339-M369 HydrophobicContact CG2-SD 4.36Å; G367-M369 PolarHBondContact O-N 3.02Å |
| 370 | L | 52.3 | Low | 59.2 | Low | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -90.5 | -11.8 | 171 | -69 | 175 | 0 | 0 | 0 | 113.5 | L336 M361 G367 V368 K380 F384 I418 | L336-L370 HydrophobicContact CD1-CD1 3.77Å; L336-L370 HydrophobicContact CD1-CD2 3.77Å; L336-L370 HydrophobicContact CD1-CG 3.45Å; L336-L370 VanDerWaalsContact CD1-CG 3.45Å; M361-L370 HydrophobicContact CE-CD1 3.97Å; G367-L370 CarbonylContact O-C 3.57Å; G367-L370 PolarHBondContact O-N 3.02Å; V368-L370 VanDerWaalsContact C-N 3.34Å; V368-L370 PolarHBondContact O-N 3.17Å; L370-K380 HydrophobicContact CB-CD 4.18Å; L370-F384 HydrophobicContact CD1-CE2 4.16Å; L370-F384 HydrophobicContact CD1-CZ 4.48Å; L370-I418 HydrophobicContact CD2-CD1 4.48Å |
| 371 | T | 49.8 | Very low | 58.9 | Low | 65 Ų | 65 | 47.8 Ų | 47.8 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -92.2 | -19.2 | 178.6 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | G367 V368 V373 K380 | G367-T371 VanDerWaalsContact O-CB 3.27Å; G367-T371 WeakPolarHBondContact O-CB 3.21Å; G367-T371 PolarHBondContact O-N 3.36Å; G367-T371 PolarHBondContact O-OG1 2.88Å; V368-T371 CarbonylContact O-C 3.43Å; V368-T371 PolarHBondContact O-N 3.22Å; V368-T371 VanDerWaalsContact O-N 3.08Å; T371-V373 CarbonylContact C-O 3.54Å; T371-V373 VanDerWaalsContact CA-O 3.25Å; T371-V373 WeakPolarHBondContact CA-O 3.45Å; T371-V373 CarbonylContact O-C 3.46Å; T371-V373 PolarHBondContact O-N 2.87Å; T371-K380 PolarHBondContact OG1-NZ 3Å |
| 372 | Q | 49.6 | Very low | 59.2 | Low | 91 Ų | 91 | 48.4 Ų | 48.4 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -35.2 | 166.9 | -82 | -177.5 | -53.8 | 0 | 0 | 110.2 | E165 V368 | E165-Q372 PolarHBondContact OE1-NE2 3.01Å; V368-Q372 PolarHBondContact O-N 3.41Å |
| 373 | V | 51.1 | Low | 59.9 | Low | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 120.9 | 157.8 | -165.7 | 0 | 0 | 0 | 0 | 107.6 | M159 L161 T371 L375 I418 | M159-V373 HydrophobicContact CB-CG1 4Å; M159-V373 HydrophobicContact CG-CG1 3.61Å; M159-V373 HydrophobicContact SD-CG1 3.69Å; L161-V373 HydrophobicContact CD2-CG2 3.57Å; T371-V373 CarbonylContact C-O 3.54Å; T371-V373 VanDerWaalsContact CA-O 3.25Å; T371-V373 WeakPolarHBondContact CA-O 3.45Å; T371-V373 CarbonylContact O-C 3.46Å; T371-V373 PolarHBondContact O-N 2.87Å; V373-L375 PolarHBondContact O-N 3.47Å; V373-I418 HydrophobicContact CB-CG2 3.91Å; V373-I418 HydrophobicContact CG1-CG2 3.6Å; V373-I418 HydrophobicContact CG2-CG2 3.57Å |
| 374 | S | 51.6 | Low | 61.2 | Low | 37 Ų | 37 | 44.3 Ų | 44.3 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 55 | -162.7 | -44.4 | 0 | 0 | 0 | 0 | 117.1 | R155 S158 | R155-S374 VanDerWaalsContact O-CB 3.26Å; R155-S374 WeakPolarHBondContact O-CB 3.24Å; S158-S374 WeakPolarHBondContact O-CB 3.46Å; S158-S374 PolarHBondContact O-OG 3.3Å |
| 375 | L | 55.6 | Low | 62.6 | Low | 42 Ų | 42 | 38.9 Ų | 38.9 | 22% | 0.22 | 21% | 0.209 | C | C | . | . | trans | -98.6 | 110.7 | -178.8 | -157.1 | 69 | 0 | 0 | 0 | 108.6 | V373 C379 K380 I383 I418 | V373-L375 PolarHBondContact O-N 3.47Å; L375-C379 HydrophobicContact CD1-CB 4.05Å; L375-C379 HydrophobicContact CG-CB 4.12Å; L375-K380 HydrophobicContact CB-CG 4.43Å; L375-K380 HydrophobicContact CD2-CG 3.91Å; L375-K380 HydrophobicContact CG-CG 4.13Å; L375-K380 WeakPolarHBondContact O-CE 3.12Å; L375-I383 HydrophobicContact CD1-CD1 3.79Å; L375-I383 HydrophobicContact CD2-CD1 3.51Å; L375-I383 HydrophobicContact CG-CD1 4.1Å; L375-I418 HydrophobicContact CD2-CD1 4.49Å | ||
| 376 | K | 62.2 | Low | 64.1 | Low | 48 Ų | 48 | 34.6 Ų | 34.6 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | trans | -61.3 | 144.3 | 175.2 | -75.9 | -171.2 | 175.7 | -170.9 | 0 | 110.7 | R156 E262 Y306 L378 C379 K380 | R156-K376 HydrophobicContact CG-CD 4.22Å; E262-K376 IonicContact OE1-NZ 3.84Å; E262-K376 IonicContact OE2-NZ 3.25Å; E262-K376 PolarHBondContact OE2-NZ 2.92Å; Y306-K376 HydrophobicContact CE2-CB 4.49Å; Y306-K376 HydrophobicContact CE2-CD 4.08Å; K376-L378 PolarHBondContact O-N 3.39Å; K376-C379 WeakPolarHBondContact O-CB 3.4Å; K376-C379 PolarHBondContact O-N 3.37Å; K376-K380 PolarHBondContact O-N 3.11Å | ||
| 377 | L | 59.7 | Low | 65.9 | Low | 68 Ų | 68 | 35.2 Ų | 35.2 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -46.2 | -37.7 | -177.4 | -179.3 | 64.2 | 0 | 0 | 0 | 113.8 | M361 K380 N381 | M361-L377 HydrophobicContact CB-CD1 4.15Å; M361-L377 WeakPolarHBondContact O-CD1 3.3Å; L377-K380 WeakPolarHBondContact O-CB 3.29Å; L377-K380 PolarHBondContact O-N 3.4Å; L377-N381 PolarHBondContact O-N 2.92Å; L377-N381 PolarHBondContact O-ND2 3.05Å; L377-N381 VanDerWaalsContact O-ND2 3.14Å |
| 378 | L | 66.4 | Low | 67.8 | Low | 35 Ų | 35 | 34.8 Ų | 34.8 | 18% | 0.183 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 179.3 | -62.1 | 175.8 | 0 | 0 | 0 | 112.8 | Y306 L310 K376 K380 | Y306-L378 HydrophobicContact CD2-CB 4.03Å; Y306-L378 HydrophobicContact CD2-CD1 4.34Å; Y306-L378 HydrophobicContact CE2-CB 4.01Å; Y306-L378 HydrophobicContact CE2-CD1 3.6Å; Y306-L378 HydrophobicContact CE2-CG 4.33Å; L310-L378 HydrophobicContact CB-CD1 4.15Å; L310-L378 HydrophobicContact CD1-CD1 3.88Å; K376-L378 PolarHBondContact O-N 3.39Å; L378-K380 VanDerWaalsContact C-N 3.31Å |
| 379 | C | 73.1 | Confident | 69.7 | Low | 13 Ų | 13 | 32.2 Ų | 32.2 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.5 | -34 | 174.6 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | L375 K376 N381 A382 I383 | L375-C379 HydrophobicContact CD1-CB 4.05Å; L375-C379 HydrophobicContact CG-CB 4.12Å; K376-C379 WeakPolarHBondContact O-CB 3.4Å; K376-C379 PolarHBondContact O-N 3.37Å; C379-N381 PolarHBondContact O-N 2.78Å; C379-A382 PolarHBondContact O-N 2.95Å; C379-I383 WeakPolarHBondContact O-CG1 3.3Å; C379-I383 PolarHBondContact O-N 3.2Å |
| 380 | K | 71.5 | Confident | 71.7 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 179.4 | -56.9 | -173.5 | -177 | 178.5 | 0 | 111 | M361 G367 L370 T371 L375 K376 L377 L378 A382 I383 F384 | M361-K380 HydrophobicContact CE-CB 3.71Å; M361-K380 HydrophobicContact CE-CD 3.95Å; M361-K380 HydrophobicContact CE-CG 4.44Å; G367-K380 PolarHBondContact O-NZ 3.45Å; L370-K380 HydrophobicContact CB-CD 4.18Å; T371-K380 PolarHBondContact OG1-NZ 3Å; L375-K380 HydrophobicContact CB-CG 4.43Å; L375-K380 HydrophobicContact CD2-CG 3.91Å; L375-K380 HydrophobicContact CG-CG 4.13Å; L375-K380 WeakPolarHBondContact O-CE 3.12Å; K376-K380 PolarHBondContact O-N 3.11Å; L377-K380 WeakPolarHBondContact O-CB 3.29Å; L377-K380 PolarHBondContact O-N 3.4Å; L378-K380 VanDerWaalsContact C-N 3.31Å; K380-A382 VanDerWaalsContact C-N 3.33Å; K380-A382 PolarHBondContact O-N 3.33Å; K380-I383 PolarHBondContact O-N 3.36Å; K380-F384 WeakPolarHBondContact O-CD2 3.4Å; K380-F384 PolarHBondContact O-N 3.38Å |
| 381 | N | 76.9 | Confident | 73.6 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 178.7 | -68.3 | -62.2 | 0 | 0 | 0 | 112.1 | L377 C379 I383 F384 H385 | L377-N381 PolarHBondContact O-N 2.92Å; L377-N381 PolarHBondContact O-ND2 3.05Å; L377-N381 VanDerWaalsContact O-ND2 3.14Å; C379-N381 PolarHBondContact O-N 2.78Å; N381-I383 PolarHBondContact O-N 3.16Å; N381-F384 PolarHBondContact O-N 3.07Å; N381-H385 PolarHBondContact O-CD2 3.42Å; N381-H385 VanDerWaalsContact O-CG 3.26Å; N381-H385 PolarHBondContact O-N 3.25Å |
| 382 | A | 80.5 | Confident | 75.5 | Confident | 13 Ų | 13 | 33 Ų | 33 | 11% | 0.107 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R305 C379 K380 H385 E386 | R305-A382 HydrophobicContact CB-CB 3.86Å; R305-A382 HydrophobicContact CG-CB 4.11Å; C379-A382 PolarHBondContact O-N 2.95Å; K380-A382 VanDerWaalsContact C-N 3.33Å; K380-A382 PolarHBondContact O-N 3.33Å; A382-H385 WeakPolarHBondContact O-CB 3.31Å; A382-H385 PolarHBondContact O-N 2.84Å; A382-E386 WeakPolarHBondContact O-CG 3.38Å; A382-E386 PolarHBondContact O-N 2.86Å |
| 383 | I | 83.2 | Confident | 77.4 | Confident | 39 Ų | 39 | 31.4 Ų | 31.4 | 20% | 0.2 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 178 | -70.9 | 160.3 | 0 | 0 | 0 | 111.1 | L375 C379 K380 N381 H385 E386 V387 I414 | L375-I383 HydrophobicContact CD1-CD1 3.79Å; L375-I383 HydrophobicContact CD2-CD1 3.51Å; L375-I383 HydrophobicContact CG-CD1 4.1Å; C379-I383 WeakPolarHBondContact O-CG1 3.3Å; C379-I383 PolarHBondContact O-N 3.2Å; K380-I383 PolarHBondContact O-N 3.36Å; N381-I383 PolarHBondContact O-N 3.16Å; I383-H385 VanDerWaalsContact C-N 3.3Å; I383-H385 PolarHBondContact O-N 2.89Å; I383-E386 PolarHBondContact O-N 3.28Å; I383-V387 HydrophobicContact CG2-CG2 4.35Å; I383-V387 WeakPolarHBondContact O-CG2 3.32Å; I383-V387 PolarHBondContact O-N 2.99Å; I383-I414 HydrophobicContact CG2-CD1 4.23Å; I383-I414 HydrophobicContact CG2-CG1 4.37Å; I383-I414 HydrophobicContact CG2-CG2 4.32Å |
| 384 | F | 87 | Confident | 79.3 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.5 | -42.4 | 173.8 | -91.9 | -92.9 | 0 | 0 | 0 | 111.8 | I334 M361 L370 K380 N381 L388 V410 I414 | I334-F384 HydrophobicContact CG2-CD1 4.12Å; I334-F384 HydrophobicContact CG2-CE1 4.1Å; M361-F384 HydrophobicContact CE-CD2 3.78Å; M361-F384 HydrophobicContact CE-CE2 3.32Å; M361-F384 HydrophobicContact CE-CZ 4.06Å; M361-F384 HydrophobicContact SD-CD2 4.12Å; M361-F384 HydrophobicContact SD-CE1 4.48Å; M361-F384 HydrophobicContact SD-CE2 3.67Å; M361-F384 HydrophobicContact SD-CZ 3.85Å; L370-F384 HydrophobicContact CD1-CE2 4.16Å; L370-F384 HydrophobicContact CD1-CZ 4.48Å; K380-F384 WeakPolarHBondContact O-CD2 3.4Å; K380-F384 PolarHBondContact O-N 3.38Å; N381-F384 PolarHBondContact O-N 3.07Å; F384-L388 WeakPolarHBondContact O-CB 3.42Å; F384-L388 VanDerWaalsContact O-CG 3.3Å; F384-L388 WeakPolarHBondContact O-CG 3.26Å; F384-L388 PolarHBondContact O-N 3.44Å; F384-V410 HydrophobicContact CD1-CB 4.4Å; F384-V410 HydrophobicContact CD1-CG1 3.75Å; F384-V410 HydrophobicContact CE1-CB 4.28Å; F384-V410 HydrophobicContact CE1-CG1 3.97Å; F384-I414 HydrophobicContact CB-CD1 4.34Å; F384-I414 HydrophobicContact CD1-CD1 3.62Å; F384-I414 HydrophobicContact CD2-CD1 3.52Å; F384-I414 HydrophobicContact CE1-CD1 3.69Å; F384-I414 HydrophobicContact CE2-CD1 3.58Å; F384-I414 HydrophobicContact CG-CD1 3.56Å; F384-I414 HydrophobicContact CZ-CD1 3.67Å |
| 385 | H | 86.8 | Confident | 81.1 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 11% | 0.111 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.5 | -64.1 | 175.8 | 0 | 0 | 0 | 112.1 | L318 L354 I357 N381 A382 I383 L388 I389 | L318-H385 HydrophobicContact CD1-CB 4.2Å; L318-H385 HydrophobicContact CD2-CB 4.23Å; L354-H385 WeakPolarHBondContact CD2-CE1 3.11Å; I357-H385 WeakPolarHBondContact CD1-NE2 3.36Å; N381-H385 PolarHBondContact O-CD2 3.42Å; N381-H385 VanDerWaalsContact O-CG 3.26Å; N381-H385 PolarHBondContact O-N 3.25Å; A382-H385 WeakPolarHBondContact O-CB 3.31Å; A382-H385 PolarHBondContact O-N 2.84Å; I383-H385 VanDerWaalsContact C-N 3.3Å; I383-H385 PolarHBondContact O-N 2.89Å; H385-L388 PolarHBondContact O-N 3.39Å; H385-I389 WeakPolarHBondContact O-CD1 3.28Å; H385-I389 VanDerWaalsContact O-CG1 3.22Å; H385-I389 WeakPolarHBondContact O-CG1 3.47Å; H385-I389 PolarHBondContact O-N 3.49Å |
| 386 | E | 86.5 | Confident | 82.6 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 179.4 | -74.3 | 172.8 | -152.5 | 0 | 0 | 111.1 | R305 A382 I383 L388 I389 Y390 | R305-E386 WeakPolarHBondContact CD-OE1 3.5Å; R305-E386 WeakPolarHBondContact CG-OE1 3.48Å; R305-E386 IonicContact CZ-OE1 2.79Å; R305-E386 IonicContact CZ-OE2 2.71Å; R305-E386 VanDerWaalsContact CZ-OE2 3.29Å; R305-E386 VanDerWaalsContact NE-CD 3.26Å; R305-E386 IonicContact NE-OE1 3.81Å; R305-E386 PolarHBondContact NE-OE1 2.88Å; R305-E386 IonicContact NE-OE2 2.85Å; R305-E386 PolarHBondContact NE-OE2 2.91Å; R305-E386 IonicContact NH2-OE1 2.93Å; R305-E386 IonicContact NH2-OE2 3.44Å; R305-E386 PolarHBondContact NH2-OE2 3.27Å; A382-E386 WeakPolarHBondContact O-CG 3.38Å; A382-E386 PolarHBondContact O-N 2.86Å; I383-E386 PolarHBondContact O-N 3.28Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3Å; E386-I389 WeakPolarHBondContact O-CB 3.48Å; E386-I389 PolarHBondContact O-N 3.33Å; E386-I389 VanDerWaalsContact O-N 3.11Å; E386-Y390 HydrophobicContact CB-CD2 4.5Å; E386-Y390 HydrophobicContact CB-CE2 4.31Å; E386-Y390 WeakPolarHBondContact O-CD2 3.37Å; E386-Y390 PolarHBondContact O-N 3.06Å |
| 387 | V | 90.3 | Very high | 83.7 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | I383 I389 Y390 L391 V410 I413 I414 M417 | I383-V387 HydrophobicContact CG2-CG2 4.35Å; I383-V387 WeakPolarHBondContact O-CG2 3.32Å; I383-V387 PolarHBondContact O-N 2.99Å; V387-I389 PolarHBondContact O-N 3.47Å; V387-Y390 PolarHBondContact O-N 3.27Å; V387-L391 HydrophobicContact CG1-CD1 4.06Å; V387-L391 HydrophobicContact CG1-CG 4.37Å; V387-L391 VanDerWaalsContact O-CG 3.29Å; V387-L391 WeakPolarHBondContact O-CG 3.27Å; V387-L391 PolarHBondContact O-N 3.1Å; V387-V410 HydrophobicContact CB-CG1 4.46Å; V387-V410 HydrophobicContact CG1-CG1 3.97Å; V387-I413 HydrophobicContact CG1-CG2 4.36Å; V387-I414 HydrophobicContact CB-CD1 4.39Å; V387-I414 HydrophobicContact CB-CG1 4.34Å; V387-I414 HydrophobicContact CG1-CG1 4.33Å; V387-I414 HydrophobicContact CG2-CD1 4.3Å; V387-I414 HydrophobicContact CG2-CG1 3.93Å; V387-M417 HydrophobicContact CG2-SD 4.3Å |
| 388 | L | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.1 | -80.5 | 169.8 | 0 | 0 | 0 | 112.6 | L318 V322 L325 V332 I357 F384 H385 E386 Y390 L391 G392 V410 | L318-L388 HydrophobicContact CD1-CB 3.65Å; L318-L388 HydrophobicContact CD1-CD1 3.92Å; L318-L388 HydrophobicContact CD1-CG 4.45Å; V322-L388 HydrophobicContact CG2-CD1 4.43Å; V322-L388 HydrophobicContact CG2-CD2 4.38Å; L325-L388 HydrophobicContact CD1-CD2 4.45Å; V332-L388 HydrophobicContact CG1-CD2 3.59Å; I357-L388 HydrophobicContact CD1-CD1 4.38Å; F384-L388 WeakPolarHBondContact O-CB 3.42Å; F384-L388 VanDerWaalsContact O-CG 3.3Å; F384-L388 WeakPolarHBondContact O-CG 3.26Å; F384-L388 PolarHBondContact O-N 3.44Å; H385-L388 PolarHBondContact O-N 3.39Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3Å; L388-Y390 VanDerWaalsContact C-N 3.35Å; L388-L391 PolarHBondContact O-N 3.17Å; L388-G392 PolarHBondContact O-N 2.98Å; L388-V410 HydrophobicContact CD2-CG2 3.7Å; L388-V410 HydrophobicContact CG-CG1 4.35Å; L388-V410 HydrophobicContact CG-CG2 4.38Å |
| 389 | I | 89.5 | Confident | 85.9 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 20% | 0.195 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.5 | -70.4 | 164.2 | 0 | 0 | 0 | 110.4 | A317 L318 A321 H385 E386 V387 G392 M393 | A317-I389 HydrophobicContact CB-CD1 4.28Å; A317-I389 HydrophobicContact CB-CG1 4.47Å; L318-I389 HydrophobicContact CB-CD1 4.36Å; L318-I389 HydrophobicContact CB-CG1 4.31Å; L318-I389 HydrophobicContact CD1-CG1 4.24Å; A321-I389 HydrophobicContact CB-CG1 4.43Å; H385-I389 WeakPolarHBondContact O-CD1 3.28Å; H385-I389 VanDerWaalsContact O-CG1 3.22Å; H385-I389 WeakPolarHBondContact O-CG1 3.47Å; H385-I389 PolarHBondContact O-N 3.49Å; E386-I389 WeakPolarHBondContact O-CB 3.48Å; E386-I389 PolarHBondContact O-N 3.33Å; E386-I389 VanDerWaalsContact O-N 3.11Å; V387-I389 PolarHBondContact O-N 3.47Å; I389-G392 CarbonylContact O-C 3.32Å; I389-G392 PolarHBondContact O-N 2.93Å; I389-M393 HydrophobicContact CG2-SD 4.29Å; I389-M393 WeakPolarHBondContact O-CG 3.45Å; I389-M393 PolarHBondContact O-N 3.11Å |
| 390 | Y | 91.2 | Very high | 86.7 | Confident | 125 Ų | 125 | 45.5 Ų | 45.5 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 176 | -74 | -63.1 | 0 | 0 | 0 | 112 | E386 V387 L388 G392 M393 F394 | E386-Y390 HydrophobicContact CB-CD2 4.5Å; E386-Y390 HydrophobicContact CB-CE2 4.31Å; E386-Y390 WeakPolarHBondContact O-CD2 3.37Å; E386-Y390 PolarHBondContact O-N 3.06Å; V387-Y390 PolarHBondContact O-N 3.27Å; L388-Y390 VanDerWaalsContact C-N 3.35Å; Y390-G392 VanDerWaalsContact C-N 3.3Å; Y390-G392 PolarHBondContact O-N 3.38Å; Y390-M393 HydrophobicContact CD1-CE 4.1Å; Y390-M393 HydrophobicContact CD1-SD 4.21Å; Y390-M393 HydrophobicContact CE1-CE 4.38Å; Y390-M393 CarbonylContact O-C 3.49Å; Y390-M393 WeakPolarHBondContact O-CA 3.35Å; Y390-M393 WeakPolarHBondContact O-CB 3.41Å; Y390-M393 PolarHBondContact O-N 3.14Å; Y390-F394 WeakPolarHBondContact O-CD2 3.45Å; Y390-F394 PolarHBondContact O-N 3.44Å |
| 391 | L | 92.7 | Very high | 87.6 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 174.3 | -69.9 | 170.9 | 0 | 0 | 0 | 111.5 | L325 V387 L388 M393 F394 I395 F402 L408 V410 I413 | L325-L391 HydrophobicContact CD1-CB 4.23Å; V387-L391 HydrophobicContact CG1-CD1 4.06Å; V387-L391 HydrophobicContact CG1-CG 4.37Å; V387-L391 VanDerWaalsContact O-CG 3.29Å; V387-L391 WeakPolarHBondContact O-CG 3.27Å; V387-L391 PolarHBondContact O-N 3.1Å; L388-L391 PolarHBondContact O-N 3.17Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 2.96Å; L391-F394 PolarHBondContact O-N 2.71Å; L391-I395 WeakPolarHBondContact O-CG2 3.49Å; L391-I395 PolarHBondContact O-N 2.9Å; L391-F402 HydrophobicContact CD2-CE1 4.2Å; L391-F402 HydrophobicContact CD2-CZ 4.28Å; L391-L408 HydrophobicContact CD1-CD1 4.42Å; L391-V410 HydrophobicContact CD1-CG2 4.01Å; L391-I413 HydrophobicContact CD1-CD1 4.2Å; L391-I413 HydrophobicContact CD2-CD1 4.36Å |
| 392 | G | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -27.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | L388 I389 Y390 R396 | L388-G392 PolarHBondContact O-N 2.98Å; I389-G392 CarbonylContact O-C 3.32Å; I389-G392 PolarHBondContact O-N 2.93Å; Y390-G392 VanDerWaalsContact C-N 3.3Å; Y390-G392 PolarHBondContact O-N 3.38Å; G392-R396 WeakPolarHBondContact O-CG 3.46Å; G392-R396 PolarHBondContact O-NE 3.4Å |
| 393 | M | 88.5 | Confident | 88.4 | Confident | 57 Ų | 57 | 53 Ų | 53 | 28% | 0.281 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.4 | -52.7 | 169.8 | -74.8 | 170.7 | 38.7 | 0 | 0 | 111.1 | P22 I389 Y390 L391 I395 R396 T397 | P22-M393 HydrophobicContact CB-CE 4.16Å; I389-M393 HydrophobicContact CG2-SD 4.29Å; I389-M393 WeakPolarHBondContact O-CG 3.45Å; I389-M393 PolarHBondContact O-N 3.11Å; Y390-M393 HydrophobicContact CD1-CE 4.1Å; Y390-M393 HydrophobicContact CD1-SD 4.21Å; Y390-M393 HydrophobicContact CE1-CE 4.38Å; Y390-M393 CarbonylContact O-C 3.49Å; Y390-M393 WeakPolarHBondContact O-CA 3.35Å; Y390-M393 WeakPolarHBondContact O-CB 3.41Å; Y390-M393 PolarHBondContact O-N 3.14Å; L391-M393 VanDerWaalsContact C-N 3.28Å; L391-M393 PolarHBondContact O-N 2.96Å; M393-I395 VanDerWaalsContact C-N 3.31Å; M393-I395 PolarHBondContact O-N 2.93Å; M393-R396 VanDerWaalsContact CG-NH2 3.33Å; M393-R396 WeakPolarHBondContact O-CA 3.39Å; M393-R396 WeakPolarHBondContact O-CB 3.48Å; M393-R396 PolarHBondContact O-N 3.48Å; M393-T397 PolarHBondContact O-N 3.21Å; M393-T397 PolarHBondContact O-OG1 3.44Å |
| 394 | F | 90.5 | Very high | 88.6 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.3 | -43.3 | -178.9 | -76.2 | -63.2 | 0 | 0 | 0 | 112.1 | Y390 L391 R396 T397 E398 L401 F402 | Y390-F394 WeakPolarHBondContact O-CD2 3.45Å; Y390-F394 PolarHBondContact O-N 3.44Å; L391-F394 PolarHBondContact O-N 2.71Å; F394-R396 PolarHBondContact O-N 2.95Å; F394-R396 VanDerWaalsContact O-N 3.14Å; F394-T397 PolarHBondContact O-N 2.94Å; F394-T397 PolarHBondContact O-OG1 2.83Å; F394-E398 CarbonylContact O-C 3.57Å; F394-E398 VanDerWaalsContact O-C 3.32Å; F394-E398 WeakPolarHBondContact O-CA 3.43Å; F394-E398 PolarHBondContact O-N 3.17Å; F394-L401 HydrophobicContact CD1-CD1 4.37Å; F394-F402 HydrophobicContact CB-CE2 3.71Å; F394-F402 HydrophobicContact CB-CZ 3.81Å |
| 395 | I | 90.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.1 | -21.8 | 179.6 | -155.7 | 176 | 0 | 0 | 0 | 112.7 | A324 L325 R328 K330 L391 M393 F402 | A324-I395 HydrophobicContact CB-CG2 4.39Å; L325-I395 HydrophobicContact CD2-CB 3.97Å; L325-I395 HydrophobicContact CD2-CD1 3.67Å; L325-I395 HydrophobicContact CD2-CG1 4.39Å; L325-I395 HydrophobicContact CD2-CG2 3.68Å; L325-I395 HydrophobicContact CG-CG2 4.3Å; R328-I395 HydrophobicContact CB-CD1 3.77Å; R328-I395 VanDerWaalsContact CD-CG1 3.48Å; R328-I395 HydrophobicContact CG-CD1 4.28Å; R328-I395 PolarHBondContact NE-O 3.48Å; R328-I395 VanDerWaalsContact NH1-CG2 3.31Å; R328-I395 PolarHBondContact NH1-O 2.94Å; R328-I395 VanDerWaalsContact NH1-O 3.07Å; R328-I395 PolarHBondContact NH2-O 3.26Å; K330-I395 HydrophobicContact CB-CD1 4.44Å; K330-I395 HydrophobicContact CG-CD1 3.53Å; L391-I395 WeakPolarHBondContact O-CG2 3.49Å; L391-I395 PolarHBondContact O-N 2.9Å; M393-I395 VanDerWaalsContact C-N 3.31Å; M393-I395 PolarHBondContact O-N 2.93Å; I395-F402 HydrophobicContact CB-CD2 4.02Å; I395-F402 HydrophobicContact CB-CE2 3.88Å; I395-F402 HydrophobicContact CB-CZ 4.41Å; I395-F402 HydrophobicContact CG1-CD2 3.84Å; I395-F402 HydrophobicContact CG1-CE2 4.23Å; I395-F402 HydrophobicContact CG1-CG 4.23Å |
| 396 | R | 86.8 | Confident | 88.8 | Confident | 141 Ų | 141 | 67.8 Ų | 67.8 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -84 | -36.9 | 176 | -72.9 | -179.2 | -67.3 | 156 | 0.2 | 113 | A324 G392 M393 F394 | A324-R396 HydrophobicContact CB-CG 4.22Å; G392-R396 WeakPolarHBondContact O-CG 3.46Å; G392-R396 PolarHBondContact O-NE 3.4Å; M393-R396 VanDerWaalsContact CG-NH2 3.33Å; M393-R396 WeakPolarHBondContact O-CA 3.39Å; M393-R396 WeakPolarHBondContact O-CB 3.48Å; M393-R396 PolarHBondContact O-N 3.48Å; F394-R396 PolarHBondContact O-N 2.95Å; F394-R396 VanDerWaalsContact O-N 3.14Å |
| 397 | T | 85.1 | Confident | 89.1 | Confident | 53 Ų | 53 | 70 Ų | 70 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -88.1 | -41 | -178.2 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | P22 M393 F394 | P22-T397 HydrophobicContact CB-CG2 3.83Å; P22-T397 HydrophobicContact CG-CG2 4.26Å; M393-T397 PolarHBondContact O-N 3.21Å; M393-T397 PolarHBondContact O-OG1 3.44Å; F394-T397 PolarHBondContact O-N 2.94Å; F394-T397 PolarHBondContact O-OG1 2.83Å |
| 398 | E | 88 | Confident | 89.2 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | trans | -135.4 | 68.9 | -171.4 | -65.6 | 179.2 | 126.4 | 0 | 0 | 110 | F394 H400 L401 | F394-E398 CarbonylContact O-C 3.57Å; F394-E398 VanDerWaalsContact O-C 3.32Å; F394-E398 WeakPolarHBondContact O-CA 3.43Å; F394-E398 PolarHBondContact O-N 3.17Å; E398-H400 PolarHBondContact O-N 2.83Å; E398-H400 VanDerWaalsContact O-N 3.16Å; E398-L401 HydrophobicContact CB-CD1 3.67Å; E398-L401 HydrophobicContact CB-CG 3.93Å; E398-L401 PolarHBondContact O-N 3.09Å | ||
| 399 | P | 86 | Confident | 89.2 | Confident | 69 Ų | 69 | 74 Ų | 74 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.2 | -22.7 | -177.6 | 25.7 | -34.7 | 0 | 0 | 0 | 113.2 | L401 F402 | P399-L401 PolarHBondContact O-N 3.44Å; P399-F402 PolarHBondContact O-N 3.21Å; P399-F402 VanDerWaalsContact O-N 3.1Å |
| 400 | H | 89.5 | Confident | 89.3 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 57% | 0.569 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -64 | -27.1 | 178.8 | 65.9 | -89.6 | 0 | 0 | 0 | 112.8 | E398 F402 S403 | E398-H400 PolarHBondContact O-N 2.83Å; E398-H400 VanDerWaalsContact O-N 3.16Å; H400-F402 PolarHBondContact O-N 3.13Å; H400-S403 PolarHBondContact O-N 2.86Å |
| 401 | L | 88.8 | Confident | 89 | Confident | 96 Ų | 96 | 66.2 Ų | 66.2 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -61.9 | -16.6 | 174.5 | -63.5 | 176.5 | 0 | 0 | 0 | 112.9 | F394 E398 P399 | F394-L401 HydrophobicContact CD1-CD1 4.37Å; E398-L401 HydrophobicContact CB-CD1 3.67Å; E398-L401 HydrophobicContact CB-CG 3.93Å; E398-L401 PolarHBondContact O-N 3.09Å; P399-L401 PolarHBondContact O-N 3.44Å |
| 402 | F | 89.8 | Confident | 88.8 | Confident | 14 Ų | 14 | 68 Ų | 68 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -113.9 | 8.4 | -176.6 | -58.5 | -87.4 | 0 | 0 | 0 | 113.3 | K330 L391 F394 I395 P399 H400 E404 M405 L408 | K330-F402 VanDerWaalsContact CE-O 3.27Å; K330-F402 WeakPolarHBondContact CE-O 3.41Å; K330-F402 PolarHBondContact NZ-O 2.7Å; L391-F402 HydrophobicContact CD2-CE1 4.2Å; L391-F402 HydrophobicContact CD2-CZ 4.28Å; F394-F402 HydrophobicContact CB-CE2 3.71Å; F394-F402 HydrophobicContact CB-CZ 3.81Å; I395-F402 HydrophobicContact CB-CD2 4.02Å; I395-F402 HydrophobicContact CB-CE2 3.88Å; I395-F402 HydrophobicContact CB-CZ 4.41Å; I395-F402 HydrophobicContact CG1-CD2 3.84Å; I395-F402 HydrophobicContact CG1-CE2 4.23Å; I395-F402 HydrophobicContact CG1-CG 4.23Å; P399-F402 PolarHBondContact O-N 3.21Å; P399-F402 VanDerWaalsContact O-N 3.1Å; H400-F402 PolarHBondContact O-N 3.13Å; F402-E404 VanDerWaalsContact C-N 3.34Å; F402-E404 PolarHBondContact O-N 3.13Å; F402-M405 HydrophobicContact CD1-SD 4.49Å; F402-M405 PolarHBondContact O-N 3.42Å; F402-M405 VanDerWaalsContact O-N 3.16Å; F402-L408 HydrophobicContact CD1-CD1 4.43Å; F402-L408 HydrophobicContact CD1-CD2 3.84Å; F402-L408 HydrophobicContact CE1-CD1 4.14Å; F402-L408 HydrophobicContact CE1-CD2 3.98Å |
| 403 | S | 85 | Confident | 88.8 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 51% | 0.51 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -49.8 | -172.6 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | H400 M405 | H400-S403 PolarHBondContact O-N 2.86Å; S403-M405 VanDerWaalsContact C-N 3.35Å; S403-M405 PolarHBondContact O-N 2.77Å |
| 404 | E | 88.1 | Confident | 88.7 | Confident | 173 Ų | 173 | 67.8 Ų | 67.8 | 81% | 0.808 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -1.5 | -176.6 | -54.6 | -45.2 | 125.7 | 0 | 0 | 114.2 | F402 | F402-E404 VanDerWaalsContact C-N 3.34Å; F402-E404 PolarHBondContact O-N 3.13Å |
| 405 | M | 89.2 | Confident | 88.4 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 35% | 0.345 | 33% | 0.325 | S | S | . | . | trans | -100.6 | 109.2 | -174.3 | -162.6 | 171 | -175.9 | 0 | 0 | 110.1 | K330 F402 S403 R407 L408 | K330-M405 WeakPolarHBondContact CD-O 3Å; K330-M405 WeakPolarHBondContact CE-O 3.48Å; K330-M405 PolarHBondContact NZ-O 3.23Å; F402-M405 HydrophobicContact CD1-SD 4.49Å; F402-M405 PolarHBondContact O-N 3.42Å; F402-M405 VanDerWaalsContact O-N 3.16Å; S403-M405 VanDerWaalsContact C-N 3.35Å; S403-M405 PolarHBondContact O-N 2.77Å; M405-R407 WeakPolarHBondContact CE-O 3.34Å; M405-L408 HydrophobicContact CE-CD2 3.38Å; M405-L408 HydrophobicContact CG-CD2 3.72Å; M405-L408 HydrophobicContact SD-CD2 3.17Å; M405-L408 WeakPolarHBondContact SD-CD2 3.28Å | ||
| 406 | L | 89.2 | Confident | 88.2 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -82.8 | -35 | 176.8 | -66.4 | 174.2 | 0 | 0 | 0 | 112.8 | E331 | E331-L406 PolarHBondContact N-O 3.36Š|
| 407 | R | 91.2 | Very high | 88.2 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.4 | -174.5 | -179.1 | -179.2 | -69.1 | 167.5 | 6.4 | 111.5 | E331 T333 M405 R409 | E331-R407 HydrophobicContact CB-CB 4.15Å; E331-R407 HydrophobicContact CB-CG 4.09Å; E331-R407 CarbonylContact O-C 3.48Å; E331-R407 VanDerWaalsContact O-CA 3.31Å; E331-R407 WeakPolarHBondContact O-CA 3.17Å; E331-R407 IonicContact OE2-CZ 3.23Å; E331-R407 VanDerWaalsContact OE2-CZ 3.23Å; E331-R407 IonicContact OE2-NE 3.2Å; E331-R407 PolarHBondContact OE2-NE 3.24Å; E331-R407 IonicContact OE2-NH2 2.75Å; E331-R407 PolarHBondContact OE2-NH2 3.27Å; T333-R407 HydrophobicContact CG2-CG 3.91Å; M405-R407 WeakPolarHBondContact CE-O 3.34Å; R407-R409 HydrophobicContact CG-CG 4.34Å |
| 408 | L | 92.4 | Very high | 88 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 106.4 | 174.3 | -55 | -171.2 | 0 | 0 | 0 | 110.7 | L325 E331 T333 L391 F402 M405 V410 | L325-L408 HydrophobicContact CD1-CD1 4.13Å; L325-L408 HydrophobicContact CD2-CD1 3.45Å; L325-L408 VanDerWaalsContact CD2-CD1 3.45Å; L325-L408 HydrophobicContact CG-CD1 4.35Å; E331-L408 PolarHBondContact O-N 3.14Å; T333-L408 PolarHBondContact N-O 3.38Å; T333-L408 PolarHBondContact OG1-O 3.4Å; L391-L408 HydrophobicContact CD1-CD1 4.42Å; F402-L408 HydrophobicContact CD1-CD1 4.43Å; F402-L408 HydrophobicContact CD1-CD2 3.84Å; F402-L408 HydrophobicContact CE1-CD1 4.14Å; F402-L408 HydrophobicContact CE1-CD2 3.98Å; M405-L408 HydrophobicContact CE-CD2 3.38Å; M405-L408 HydrophobicContact CG-CD2 3.72Å; M405-L408 HydrophobicContact SD-CD2 3.17Å; M405-L408 WeakPolarHBondContact SD-CD2 3.28Å; L408-V410 PolarHBondContact O-N 3.21Å |
| 409 | R | 91.5 | Very high | 87.6 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 36% | 0.362 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 85.3 | 175 | -59.2 | -165.2 | -177.1 | -172.5 | 2 | 111.3 | T333 E341 R407 G411 L412 I413 | T333-R409 WeakPolarHBondContact OG1-CA 3.34Å; E341-R409 WeakPolarHBondContact OE1-CD 3.33Å; E341-R409 WeakPolarHBondContact OE1-CG 3.37Å; E341-R409 IonicContact OE1-NE 2.83Å; R407-R409 HydrophobicContact CG-CG 4.34Å; R409-G411 VanDerWaalsContact C-N 3.29Å; R409-G411 PolarHBondContact O-N 2.63Å; R409-L412 HydrophobicContact CB-CB 4.25Å; R409-L412 HydrophobicContact CB-CD1 4.01Å; R409-L412 HydrophobicContact CB-CG 4.18Å; R409-L412 HydrophobicContact CG-CD1 4.48Å; R409-L412 PolarHBondContact O-N 2.97Å; R409-L412 VanDerWaalsContact O-N 3.15Å; R409-I413 PolarHBondContact O-N 2.92Å |
| 410 | V | 90.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -36.6 | -171.4 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | V332 T333 F384 V387 L388 L391 L408 L412 I413 I414 | V332-V410 HydrophobicContact CG1-CG2 3.95Å; T333-V410 WeakPolarHBondContact O-CB 3.41Å; T333-V410 WeakPolarHBondContact O-CG2 3.24Å; T333-V410 PolarHBondContact O-N 3.49Å; F384-V410 HydrophobicContact CD1-CB 4.4Å; F384-V410 HydrophobicContact CD1-CG1 3.75Å; F384-V410 HydrophobicContact CE1-CB 4.28Å; F384-V410 HydrophobicContact CE1-CG1 3.97Å; V387-V410 HydrophobicContact CB-CG1 4.46Å; V387-V410 HydrophobicContact CG1-CG1 3.97Å; L388-V410 HydrophobicContact CD2-CG2 3.7Å; L388-V410 HydrophobicContact CG-CG1 4.35Å; L388-V410 HydrophobicContact CG-CG2 4.38Å; L391-V410 HydrophobicContact CD1-CG2 4.01Å; L408-V410 PolarHBondContact O-N 3.21Å; V410-L412 PolarHBondContact O-N 2.93Å; V410-I413 PolarHBondContact O-N 2.67Å; V410-I414 HydrophobicContact CG1-CD1 3.91Å; V410-I414 WeakPolarHBondContact O-CG1 3.49Å; V410-I414 PolarHBondContact O-N 3.34Å |
| 411 | G | 86.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G335 R409 I414 Q415 | G335-G411 VanDerWaalsContact O-CA 3.3Å; G335-G411 WeakPolarHBondContact O-CA 3.35Å; R409-G411 VanDerWaalsContact C-N 3.29Å; R409-G411 PolarHBondContact O-N 2.63Å; G411-I414 PolarHBondContact O-N 3.16Å; G411-Q415 WeakPolarHBondContact O-CB 3.36Å; G411-Q415 PolarHBondContact O-N 3.22Å |
| 412 | L | 87.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 29% | 0.293 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 174.3 | -67.3 | -177.6 | 0 | 0 | 0 | 111.6 | L336 P337 R409 V410 I414 Q415 I416 | L336-L412 HydrophobicContact CD2-CD2 4.06Å; P337-L412 HydrophobicContact CG-CD1 4.09Å; P337-L412 HydrophobicContact CG-CD2 4.09Å; P337-L412 HydrophobicContact CG-CG 4.11Å; R409-L412 HydrophobicContact CB-CB 4.25Å; R409-L412 HydrophobicContact CB-CD1 4.01Å; R409-L412 HydrophobicContact CB-CG 4.18Å; R409-L412 HydrophobicContact CG-CD1 4.48Å; R409-L412 PolarHBondContact O-N 2.97Å; R409-L412 VanDerWaalsContact O-N 3.15Å; V410-L412 PolarHBondContact O-N 2.93Å; L412-I414 VanDerWaalsContact C-N 3.3Å; L412-I414 PolarHBondContact O-N 3.1Å; L412-Q415 PolarHBondContact O-N 3.07Å; L412-I416 VanDerWaalsContact O-CG1 3.31Å; L412-I416 WeakPolarHBondContact O-CG1 3.3Å; L412-I416 PolarHBondContact O-N 3.17Å |
| 413 | I | 90.3 | Very high | 86.1 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 174.8 | -64.2 | 169.3 | 0 | 0 | 0 | 109.6 | V387 L391 R409 V410 I416 M417 | V387-I413 HydrophobicContact CG1-CG2 4.36Å; L391-I413 HydrophobicContact CD1-CD1 4.2Å; L391-I413 HydrophobicContact CD2-CD1 4.36Å; R409-I413 PolarHBondContact O-N 2.92Å; V410-I413 PolarHBondContact O-N 2.67Å; I413-I416 PolarHBondContact O-N 3.15Å; I413-M417 HydrophobicContact CG2-CG 4.46Å; I413-M417 HydrophobicContact CG2-SD 4.01Å; I413-M417 WeakPolarHBondContact O-CB 3.47Å; I413-M417 VanDerWaalsContact O-CG 3.22Å; I413-M417 WeakPolarHBondContact O-CG 3.45Å; I413-M417 PolarHBondContact O-N 3.07Å |
| 414 | I | 86.4 | Confident | 85.8 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.4 | -70 | 166.6 | 0 | 0 | 0 | 111.6 | I383 F384 V387 V410 G411 L412 I416 M417 I418 | I383-I414 HydrophobicContact CG2-CD1 4.23Å; I383-I414 HydrophobicContact CG2-CG1 4.37Å; I383-I414 HydrophobicContact CG2-CG2 4.32Å; F384-I414 HydrophobicContact CB-CD1 4.34Å; F384-I414 HydrophobicContact CD1-CD1 3.62Å; F384-I414 HydrophobicContact CD2-CD1 3.52Å; F384-I414 HydrophobicContact CE1-CD1 3.69Å; F384-I414 HydrophobicContact CE2-CD1 3.58Å; F384-I414 HydrophobicContact CG-CD1 3.56Å; F384-I414 HydrophobicContact CZ-CD1 3.67Å; V387-I414 HydrophobicContact CB-CD1 4.39Å; V387-I414 HydrophobicContact CB-CG1 4.34Å; V387-I414 HydrophobicContact CG1-CG1 4.33Å; V387-I414 HydrophobicContact CG2-CD1 4.3Å; V387-I414 HydrophobicContact CG2-CG1 3.93Å; V410-I414 HydrophobicContact CG1-CD1 3.91Å; V410-I414 WeakPolarHBondContact O-CG1 3.49Å; V410-I414 PolarHBondContact O-N 3.34Å; G411-I414 PolarHBondContact O-N 3.16Å; L412-I414 VanDerWaalsContact C-N 3.3Å; L412-I414 PolarHBondContact O-N 3.1Å; I414-I416 PolarHBondContact O-N 3.33Å; I414-M417 PolarHBondContact O-N 2.9Å; I414-I418 HydrophobicContact CG2-CD1 3.66Å; I414-I418 HydrophobicContact CG2-CG1 4.29Å; I414-I418 WeakPolarHBondContact O-CB 3.36Å; I414-I418 VanDerWaalsContact O-CG1 3.24Å; I414-I418 WeakPolarHBondContact O-CG1 3.27Å; I414-I418 PolarHBondContact O-N 3.27Å |
| 415 | Q | 82.9 | Confident | 85 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 178.2 | -176 | -179.3 | -5.4 | 0 | 0 | 111.5 | L336 G411 L412 I418 S419 | L336-Q415 HydrophobicContact CD2-CB 4.37Å; G411-Q415 WeakPolarHBondContact O-CB 3.36Å; G411-Q415 PolarHBondContact O-N 3.22Å; L412-Q415 PolarHBondContact O-N 3.07Å; Q415-I418 PolarHBondContact O-N 3.24Å; Q415-S419 WeakPolarHBondContact O-CB 3.34Å; Q415-S419 PolarHBondContact O-N 3.07Å; Q415-S419 PolarHBondContact O-OG 3.3Å; Q415-S419 VanDerWaalsContact O-OG 3.1Å |
| 416 | I | 87.2 | Confident | 84 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 53% | 0.528 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 175.9 | -66.7 | 165.5 | 0 | 0 | 0 | 109.9 | L412 I413 I414 I418 S419 E420 | L412-I416 VanDerWaalsContact O-CG1 3.31Å; L412-I416 WeakPolarHBondContact O-CG1 3.3Å; L412-I416 PolarHBondContact O-N 3.17Å; I413-I416 PolarHBondContact O-N 3.15Å; I414-I416 PolarHBondContact O-N 3.33Å; I416-I418 VanDerWaalsContact C-N 3.28Å; I416-I418 PolarHBondContact O-N 3.45Å; I416-S419 CarbonylContact O-C 3.6Å; I416-S419 PolarHBondContact O-N 3.04Å; I416-S419 VanDerWaalsContact O-N 3.1Å; I416-E420 HydrophobicContact CG2-CG 4.11Å; I416-E420 WeakPolarHBondContact O-CG 3.28Å; I416-E420 PolarHBondContact O-N 3.19Å |
| 417 | M | 87.1 | Confident | 82.6 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.6 | -43.5 | 177.1 | -73.3 | 174.7 | 71.1 | 0 | 0 | 112.2 | V387 I413 I414 E420 L421 | V387-M417 HydrophobicContact CG2-SD 4.3Å; I413-M417 HydrophobicContact CG2-CG 4.46Å; I413-M417 HydrophobicContact CG2-SD 4.01Å; I413-M417 WeakPolarHBondContact O-CB 3.47Å; I413-M417 VanDerWaalsContact O-CG 3.22Å; I413-M417 WeakPolarHBondContact O-CG 3.45Å; I413-M417 PolarHBondContact O-N 3.07Å; I414-M417 PolarHBondContact O-N 2.9Å; M417-E420 PolarHBondContact O-N 3.23Å; M417-L421 WeakPolarHBondContact O-CB 3.1Å; M417-L421 VanDerWaalsContact O-CG 3.25Å; M417-L421 WeakPolarHBondContact O-CG 3.38Å; M417-L421 PolarHBondContact O-N 3.34Å |
| 418 | I | 80.1 | Confident | 81 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 176.9 | -71 | 168.8 | 0 | 0 | 0 | 110.7 | L370 V373 L375 I414 Q415 I416 E420 L421 A422 | L370-I418 HydrophobicContact CD2-CD1 4.48Å; V373-I418 HydrophobicContact CB-CG2 3.91Å; V373-I418 HydrophobicContact CG1-CG2 3.6Å; V373-I418 HydrophobicContact CG2-CG2 3.57Å; L375-I418 HydrophobicContact CD2-CD1 4.49Å; I414-I418 HydrophobicContact CG2-CD1 3.66Å; I414-I418 HydrophobicContact CG2-CG1 4.29Å; I414-I418 WeakPolarHBondContact O-CB 3.36Å; I414-I418 VanDerWaalsContact O-CG1 3.24Å; I414-I418 WeakPolarHBondContact O-CG1 3.27Å; I414-I418 PolarHBondContact O-N 3.27Å; Q415-I418 PolarHBondContact O-N 3.24Å; I416-I418 VanDerWaalsContact C-N 3.28Å; I416-I418 PolarHBondContact O-N 3.45Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.29Å; I418-L421 PolarHBondContact O-N 3.21Å; I418-A422 VanDerWaalsContact O-CB 3.24Å; I418-A422 WeakPolarHBondContact O-CB 3.39Å; I418-A422 PolarHBondContact O-N 3.45Å |
| 419 | S | 79.9 | Confident | 79 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | Q415 I416 A422 R423 | Q415-S419 WeakPolarHBondContact O-CB 3.34Å; Q415-S419 PolarHBondContact O-N 3.07Å; Q415-S419 PolarHBondContact O-OG 3.3Å; Q415-S419 VanDerWaalsContact O-OG 3.1Å; I416-S419 CarbonylContact O-C 3.6Å; I416-S419 PolarHBondContact O-N 3.04Å; I416-S419 VanDerWaalsContact O-N 3.1Å; S419-A422 WeakPolarHBondContact O-CB 3.34Å; S419-R423 PolarHBondContact O-N 2.94Å; S419-R423 VanDerWaalsContact O-N 3.11Å |
| 420 | E | 84.6 | Confident | 77.1 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.6 | -43.9 | 173.9 | -69.8 | -52.8 | 122 | 0 | 0 | 111.4 | I416 M417 I418 A422 R423 S424 | I416-E420 HydrophobicContact CG2-CG 4.11Å; I416-E420 WeakPolarHBondContact O-CG 3.28Å; I416-E420 PolarHBondContact O-N 3.19Å; M417-E420 PolarHBondContact O-N 3.23Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.29Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 2.91Å; E420-R423 PolarHBondContact O-N 2.83Å; E420-R423 IonicContact OE1-CZ 3.58Å; E420-R423 IonicContact OE1-NH1 2.63Å; E420-R423 PolarHBondContact OE1-NH1 3.46Å; E420-R423 IonicContact OE1-NH2 2.67Å; E420-R423 PolarHBondContact OE1-NH2 3.29Å; E420-R423 IonicContact OE2-CZ 3.21Å; E420-R423 IonicContact OE2-NH1 2.69Å; E420-R423 PolarHBondContact OE2-NH1 3Å; E420-S424 PolarHBondContact O-N 3.31Å |
| 421 | L | 81.9 | Confident | 75.1 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.9 | -75 | 170.3 | 0 | 0 | 0 | 111.1 | M159 M417 I418 R423 S424 M425 | M159-L421 HydrophobicContact CE-CB 4.46Å; M417-L421 WeakPolarHBondContact O-CB 3.1Å; M417-L421 VanDerWaalsContact O-CG 3.25Å; M417-L421 WeakPolarHBondContact O-CG 3.38Å; M417-L421 PolarHBondContact O-N 3.34Å; I418-L421 PolarHBondContact O-N 3.21Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 2.95Å; L421-S424 PolarHBondContact O-N 2.75Å; L421-S424 PolarHBondContact O-OG 2.54Å; L421-M425 WeakPolarHBondContact O-CG 3.14Å; L421-M425 PolarHBondContact O-N 3.25Å |
| 422 | A | 75 | Confident | 72.9 | Confident | 11 Ų | 11 | 78.6 Ų | 78.6 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -52.8 | -48.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L161 I418 S419 E420 M425 S426 | L161-A422 HydrophobicContact CD1-CB 3.06Å; L161-A422 HydrophobicContact CG-CB 4.47Å; I418-A422 VanDerWaalsContact O-CB 3.24Å; I418-A422 WeakPolarHBondContact O-CB 3.39Å; I418-A422 PolarHBondContact O-N 3.45Å; S419-A422 WeakPolarHBondContact O-CB 3.34Å; E420-A422 VanDerWaalsContact C-N 3.33Å; E420-A422 PolarHBondContact O-N 2.91Å; A422-M425 PolarHBondContact O-N 3.47Å; A422-S426 PolarHBondContact O-N 3.24Å; A422-S426 PolarHBondContact O-OG 3.16Å |
| 423 | R | 79.9 | Confident | 70.9 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 43% | 0.434 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 178.5 | -160 | -178 | -50.6 | 110 | 6.5 | 111.3 | S419 E420 L421 M425 S426 I427 | S419-R423 PolarHBondContact O-N 2.94Å; S419-R423 VanDerWaalsContact O-N 3.11Å; E420-R423 PolarHBondContact O-N 2.83Å; E420-R423 IonicContact OE1-CZ 3.58Å; E420-R423 IonicContact OE1-NH1 2.63Å; E420-R423 PolarHBondContact OE1-NH1 3.46Å; E420-R423 IonicContact OE1-NH2 2.67Å; E420-R423 PolarHBondContact OE1-NH2 3.29Å; E420-R423 IonicContact OE2-CZ 3.21Å; E420-R423 IonicContact OE2-NH1 2.69Å; E420-R423 PolarHBondContact OE2-NH1 3Å; L421-R423 VanDerWaalsContact C-N 3.33Å; L421-R423 PolarHBondContact O-N 2.95Å; R423-M425 VanDerWaalsContact C-N 3.3Å; R423-M425 PolarHBondContact O-N 2.9Å; R423-S426 PolarHBondContact O-N 3.19Å; R423-S426 PolarHBondContact O-OG 2.66Å; R423-I427 HydrophobicContact CG-CD1 4.18Å; R423-I427 WeakPolarHBondContact O-CD1 3.47Å; R423-I427 VanDerWaalsContact O-CG1 3.29Å; R423-I427 WeakPolarHBondContact O-CG1 3.31Å; R423-I427 PolarHBondContact O-N 3.16Å; R423-I427 VanDerWaalsContact O-N 3.08Å |
| 424 | S | 79.8 | Confident | 68.5 | Low | 63 Ų | 63 | 83.2 Ų | 83.2 | 44% | 0.441 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 177.1 | 74.9 | 0 | 0 | 0 | 0 | 112.6 | E420 L421 S428 | E420-S424 PolarHBondContact O-N 3.31Å; L421-S424 PolarHBondContact O-N 2.75Å; L421-S424 PolarHBondContact O-OG 2.54Å; S424-S428 PolarHBondContact O-N 2.74Å |
| 425 | M | 72 | Confident | 65.9 | Low | 124 Ų | 124 | 91.8 Ų | 91.8 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74 | -32.2 | 178.3 | -69.7 | -175.5 | 69.1 | 0 | 0 | 112.9 | M159 L421 A422 R423 G429 | M159-M425 HydrophobicContact CE-CE 4.44Å; M159-M425 HydrophobicContact CE-SD 3.19Å; M159-M425 WeakPolarHBondContact CE-SD 3.42Å; L421-M425 WeakPolarHBondContact O-CG 3.14Å; L421-M425 PolarHBondContact O-N 3.25Å; A422-M425 PolarHBondContact O-N 3.47Å; R423-M425 VanDerWaalsContact C-N 3.3Å; R423-M425 PolarHBondContact O-N 2.9Å; M425-G429 PolarHBondContact O-N 3.31Å |
| 426 | S | 67.7 | Low | 65 | Low | 72 Ų | 72 | 93 Ų | 93 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.4 | -29.8 | 176.6 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | A422 R423 | A422-S426 PolarHBondContact O-N 3.24Å; A422-S426 PolarHBondContact O-OG 3.16Å; R423-S426 PolarHBondContact O-N 3.19Å; R423-S426 PolarHBondContact O-OG 2.66Å |
| 427 | I | 59.4 | Low | 63.8 | Low | 88 Ų | 88 | 92.5 Ų | 92.5 | 45% | 0.451 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.5 | -46.5 | 172.9 | -65.5 | 164.3 | 0 | 0 | 0 | 110.1 | R423 G429 K430 D431 | R423-I427 HydrophobicContact CG-CD1 4.18Å; R423-I427 WeakPolarHBondContact O-CD1 3.47Å; R423-I427 VanDerWaalsContact O-CG1 3.29Å; R423-I427 WeakPolarHBondContact O-CG1 3.31Å; R423-I427 PolarHBondContact O-N 3.16Å; R423-I427 VanDerWaalsContact O-N 3.08Å; I427-G429 PolarHBondContact O-N 3.49Å; I427-G429 VanDerWaalsContact O-N 3.12Å; I427-K430 PolarHBondContact O-N 2.95Å; I427-D431 PolarHBondContact O-N 3.2Å |
| 428 | S | 57.6 | Low | 62.5 | Low | 58 Ų | 58 | 92.4 Ų | 92.4 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -28.4 | 178.9 | -176.2 | 0 | 0 | 0 | 0 | 113.3 | S424 F432 | S424-S428 PolarHBondContact O-N 2.74Å; S428-F432 WeakPolarHBondContact O-CD2 3.39Å; S428-F432 WeakPolarHBondContact O-CE2 3.39Å |
| 429 | G | 50.9 | Low | 61.5 | Low | 55 Ų | 55 | 96.6 Ų | 96.6 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.8 | -20.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M425 I427 | M425-G429 PolarHBondContact O-N 3.31Å; I427-G429 PolarHBondContact O-N 3.49Å; I427-G429 VanDerWaalsContact O-N 3.12Å |
| 430 | K | 50.3 | Low | 60.4 | Low | 159 Ų | 159 | 99.2 Ų | 99.2 | 69% | 0.691 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -88.3 | -32.9 | 177.7 | -80.1 | 178.8 | 176.5 | 173.7 | 0 | 112.6 | I427 F432 A433 | I427-K430 PolarHBondContact O-N 2.95Å; K430-F432 PolarHBondContact O-N 2.83Å; K430-A433 PolarHBondContact O-N 2.75Å; K430-A433 VanDerWaalsContact O-N 3.17Å |
| 431 | D | 49.1 | Very low | 58.7 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71 | -17.6 | -176.9 | -63.2 | -20.8 | 0 | 0 | 0 | 113.5 | I427 | I427-D431 PolarHBondContact O-N 3.2Å |
| 432 | F | 41.9 | Very low | 57.1 | Low | 167 Ų | 167 | 100.1 Ų | 100.1 | 73% | 0.732 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -1.6 | 173.7 | -65.6 | -64.5 | 0 | 0 | 0 | 114.7 | S428 K430 | S428-F432 WeakPolarHBondContact O-CD2 3.39Å; S428-F432 WeakPolarHBondContact O-CE2 3.39Å; K430-F432 PolarHBondContact O-N 2.83Å |
| 433 | A | 45.9 | Very low | 55.7 | Low | 79 Ų | 79 | 107 Ų | 107 | 65% | 0.653 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -104.3 | -1.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | K430 | K430-A433 PolarHBondContact O-N 2.75Å; K430-A433 VanDerWaalsContact O-N 3.17Å |
| 434 | T | 39 | Very low | 53.7 | Low | 122 Ų | 122 | 106.3 Ų | 106.3 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | trans | -120.7 | 24.3 | -179.1 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 435 | T | 30.9 | Very low | 51.3 | Low | 186 Ų | 186 | 110.3 Ų | 110.3 | 100% | 1.141 | 64% | 0.641 | S | S | * | * | trans | -135.1 | 0 | 163.4 | -42.9 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 435 of 435 residues in 750.9 ms
(Link to these results)