| 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 | 67.2 | Low | 78 | Confident | 204 Ų | 204 | 110.1 Ų | 110.1 | 100% | 1.005 | 59% | 0.586 | S | S | * | * | 0 | -52 | 0 | -67.6 | -153.7 | 152.4 | 0 | 0 | 112.1 | S3 N4 F5 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.36Å; M1-N4 PolarHBondContact O-N 3.2Å; M1-F5 PolarHBondContact O-N 3.47Å | |||
| 2 | L | 68.1 | Low | 78.1 | Confident | 143 Ų | 143 | 104.5 Ų | 104.5 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.4 | -34.3 | 178.4 | -156.8 | 72.2 | 0 | 0 | 0 | 113.8 | F5 L6 | L2-F5 PolarHBondContact O-N 3.37Å; L2-L6 VanDerWaalsContact O-CB 3.3Å; L2-L6 WeakPolarHBondContact O-CB 3.41Å; L2-L6 PolarHBondContact O-N 2.96Å |
| 3 | S | 80.4 | Confident | 78.2 | Confident | 81 Ų | 81 | 102.2 Ų | 102.2 | 57% | 0.566 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 177.4 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | M1 F5 L6 S7 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.36Å; S3-F5 VanDerWaalsContact C-N 3.33Å; S3-L6 PolarHBondContact O-N 3.29Å; S3-S7 WeakPolarHBondContact O-CB 3.22Å; S3-S7 PolarHBondContact O-N 2.85Å; S3-S7 PolarHBondContact O-OG 2.93Å; S3-S7 VanDerWaalsContact O-OG 3.07Å |
| 4 | N | 78.8 | Confident | 78.5 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 176.1 | -69.2 | -8.9 | 0 | 0 | 0 | 111.3 | M1 S7 K8 | M1-N4 PolarHBondContact O-N 3.2Å; N4-S7 PolarHBondContact O-OG 2.93Å; N4-S7 VanDerWaalsContact O-OG 3.13Å; N4-K8 VanDerWaalsContact O-CB 3.27Å; N4-K8 WeakPolarHBondContact O-CB 3.41Å; N4-K8 WeakPolarHBondContact O-CD 3.41Å; N4-K8 WeakPolarHBondContact O-CG 3.4Å; N4-K8 PolarHBondContact O-N 3.45Å; N4-K8 VanDerWaalsContact O-N 3.13Å |
| 5 | F | 78.3 | Confident | 78.4 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 176.4 | -176.1 | -96.7 | 0 | 0 | 0 | 111.7 | M1 L2 S3 L9 | M1-F5 PolarHBondContact O-N 3.47Å; L2-F5 PolarHBondContact O-N 3.37Å; S3-F5 VanDerWaalsContact C-N 3.33Å; F5-L9 HydrophobicContact CE1-CD2 4.46Å; F5-L9 WeakPolarHBondContact O-CB 3Å; F5-L9 PolarHBondContact O-N 3.22Å |
| 6 | L | 80.5 | Confident | 78.4 | Confident | 99 Ų | 99 | 92 Ų | 92 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | -178.6 | -171.4 | 64.5 | 0 | 0 | 0 | 111.9 | L2 S3 L9 L10 | L2-L6 VanDerWaalsContact O-CB 3.3Å; L2-L6 WeakPolarHBondContact O-CB 3.41Å; L2-L6 PolarHBondContact O-N 2.96Å; S3-L6 PolarHBondContact O-N 3.29Å; L6-L9 PolarHBondContact O-N 2.91Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 2.75Å |
| 7 | S | 83.3 | Confident | 78.7 | Confident | 61 Ų | 61 | 93.3 Ų | 93.3 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.5 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | S3 N4 L9 L10 T11 | S3-S7 WeakPolarHBondContact O-CB 3.22Å; S3-S7 PolarHBondContact O-N 2.85Å; S3-S7 PolarHBondContact O-OG 2.93Å; S3-S7 VanDerWaalsContact O-OG 3.07Å; N4-S7 PolarHBondContact O-OG 2.93Å; N4-S7 VanDerWaalsContact O-OG 3.13Å; S7-L9 PolarHBondContact O-N 2.71Å; S7-L10 PolarHBondContact O-N 3.41Å; S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 3.37Å; S7-T11 PolarHBondContact O-OG1 3.2Å |
| 8 | K | 78.2 | Confident | 78.8 | Confident | 97 Ų | 97 | 96.3 Ų | 96.3 | 42% | 0.422 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.9 | -50.6 | 170.9 | -78.9 | 177.2 | 164.4 | -159 | 0 | 111.3 | N4 L10 T11 L12 E52 | N4-K8 VanDerWaalsContact O-CB 3.27Å; N4-K8 WeakPolarHBondContact O-CB 3.41Å; N4-K8 WeakPolarHBondContact O-CD 3.41Å; N4-K8 WeakPolarHBondContact O-CG 3.4Å; N4-K8 PolarHBondContact O-N 3.45Å; N4-K8 VanDerWaalsContact O-N 3.13Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.45Å; K8-T11 PolarHBondContact O-N 3.38Å; K8-L12 WeakPolarHBondContact O-CB 3.41Å; K8-L12 PolarHBondContact O-N 2.83Å; K8-E52 WeakPolarHBondContact CD-OE1 3.31Å; K8-E52 WeakPolarHBondContact CE-OE1 3.28Å; K8-E52 IonicContact NZ-OE1 3.63Å; K8-E52 PolarHBondContact NZ-OE1 3.08Å |
| 9 | L | 80.4 | Confident | 78.9 | Confident | 80 Ų | 80 | 91.5 Ų | 91.5 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 179.6 | -174.6 | 65.4 | 0 | 0 | 0 | 111.8 | F5 L6 S7 L12 T13 | F5-L9 HydrophobicContact CE1-CD2 4.46Å; F5-L9 WeakPolarHBondContact O-CB 3Å; F5-L9 PolarHBondContact O-N 3.22Å; L6-L9 PolarHBondContact O-N 2.91Å; S7-L9 PolarHBondContact O-N 2.71Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-T13 VanDerWaalsContact O-CB 3.24Å; L9-T13 WeakPolarHBondContact O-CB 3.49Å; L9-T13 PolarHBondContact O-N 2.67Å; L9-T13 PolarHBondContact O-OG1 3.46Å |
| 10 | L | 81.7 | Confident | 79.1 | Confident | 111 Ų | 111 | 88.8 Ų | 88.8 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.9 | -48.5 | 177.4 | -130.6 | 86.2 | 0 | 0 | 0 | 111.4 | L6 S7 K8 L12 T13 C14 | L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 2.75Å; S7-L10 PolarHBondContact O-N 3.41Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.45Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 2.85Å; L10-T13 PolarHBondContact O-N 2.85Å; L10-C14 WeakPolarHBondContact O-CB 2.93Å; L10-C14 PolarHBondContact O-N 3.38Å; L10-C14 PolarHBondContact O-SG 3.17Å |
| 11 | T | 81.4 | Confident | 79.3 | Confident | 103 Ų | 103 | 92.2 Ų | 92.2 | 63% | 0.632 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -38.8 | 176.7 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | S7 K8 G15 | S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 3.37Å; S7-T11 PolarHBondContact O-OG1 3.2Å; K8-T11 PolarHBondContact O-N 3.38Å; T11-G15 WeakPolarHBondContact O-CA 3.12Å; T11-G15 PolarHBondContact O-N 2.86Å |
| 12 | L | 78.9 | Confident | 79.8 | Confident | 43 Ų | 43 | 88.1 Ų | 88.1 | 23% | 0.225 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -69.5 | -38.9 | 176.8 | -157.7 | 79.3 | 0 | 0 | 0 | 111.5 | K8 L9 L10 G15 T16 F45 L49 | K8-L12 WeakPolarHBondContact O-CB 3.41Å; K8-L12 PolarHBondContact O-N 2.83Å; L9-L12 PolarHBondContact O-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 2.85Å; L12-G15 PolarHBondContact O-N 3.42Å; L12-T16 WeakPolarHBondContact O-CB 3.3Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.39Å; L12-T16 PolarHBondContact O-N 3.21Å; L12-T16 PolarHBondContact O-OG1 2.8Å; L12-F45 HydrophobicContact CD1-CE2 3.53Å; L12-F45 HydrophobicContact CD1-CZ 3.91Å; L12-F45 HydrophobicContact CD2-CE1 4.41Å; L12-F45 HydrophobicContact CD2-CE2 3.95Å; L12-F45 HydrophobicContact CD2-CZ 3.42Å; L12-F45 VanDerWaalsContact CD2-CZ 3.42Å; L12-F45 HydrophobicContact CG-CE2 3.62Å; L12-F45 HydrophobicContact CG-CZ 3.46Å; L12-F45 VanDerWaalsContact CG-CZ 3.46Å; L12-L49 HydrophobicContact CD2-CD2 3.56Å; L12-L49 HydrophobicContact CD2-CG 4.37Å |
| 13 | T | 79.7 | Confident | 80.5 | Confident | 75 Ų | 75 | 82.1 Ų | 82.1 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | L9 L10 G15 T16 L17 | L9-T13 VanDerWaalsContact O-CB 3.24Å; L9-T13 WeakPolarHBondContact O-CB 3.49Å; L9-T13 PolarHBondContact O-N 2.67Å; L9-T13 PolarHBondContact O-OG1 3.46Å; L10-T13 PolarHBondContact O-N 2.85Å; T13-G15 VanDerWaalsContact C-N 3.33Å; T13-G15 PolarHBondContact O-N 2.81Å; T13-T16 WeakPolarHBondContact CA-OG1 2.94Å; T13-T16 CarbonylContact O-C 3.45Å; T13-T16 PolarHBondContact O-N 3.24Å; T13-T16 PolarHBondContact O-OG1 3.35Å; T13-T16 VanDerWaalsContact O-OG1 3.06Å; T13-L17 VanDerWaalsContact O-CB 3.31Å; T13-L17 WeakPolarHBondContact O-CB 3.16Å; T13-L17 PolarHBondContact O-N 2.73Å |
| 14 | C | 81.5 | Confident | 80.5 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 55% | 0.547 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 173.4 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | L10 L17 | L10-C14 WeakPolarHBondContact O-CB 2.93Å; L10-C14 PolarHBondContact O-N 3.38Å; L10-C14 PolarHBondContact O-SG 3.17Å; C14-L17 WeakPolarHBondContact O-CB 3.01Å; C14-L17 PolarHBondContact O-N 3.41Å |
| 15 | G | 77.3 | Confident | 80.7 | Confident | 43 Ų | 43 | 86.2 Ų | 86.2 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.4 | -33.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T11 L12 T13 P19 | T11-G15 WeakPolarHBondContact O-CA 3.12Å; T11-G15 PolarHBondContact O-N 2.86Å; L12-G15 PolarHBondContact O-N 3.42Å; T13-G15 VanDerWaalsContact C-N 3.33Å; T13-G15 PolarHBondContact O-N 2.81Å; G15-P19 WeakPolarHBondContact O-CD 3.36Å |
| 16 | T | 79.3 | Confident | 80.8 | Confident | 19 Ų | 19 | 80.5 Ų | 80.5 | 12% | 0.117 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -85.2 | -15.1 | 173.2 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | L12 T13 Y18 P19 A20 W42 F45 | L12-T16 WeakPolarHBondContact O-CB 3.3Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.39Å; L12-T16 PolarHBondContact O-N 3.21Å; L12-T16 PolarHBondContact O-OG1 2.8Å; T13-T16 WeakPolarHBondContact CA-OG1 2.94Å; T13-T16 CarbonylContact O-C 3.45Å; T13-T16 PolarHBondContact O-N 3.24Å; T13-T16 PolarHBondContact O-OG1 3.35Å; T13-T16 VanDerWaalsContact O-OG1 3.06Å; T16-Y18 VanDerWaalsContact C-N 3.31Å; T16-Y18 PolarHBondContact O-N 3.11Å; T16-P19 VanDerWaalsContact CA-CG 3.49Å; T16-P19 WeakPolarHBondContact O-CD 3.37Å; T16-P19 WeakPolarHBondContact O-CG 3.38Å; T16-A20 WeakPolarHBondContact O-CB 2.99Å; T16-A20 PolarHBondContact O-N 2.92Å; T16-W42 HydrophobicContact CG2-CH2 4.39Å; T16-W42 HydrophobicContact CG2-CZ3 4.18Å; T16-F45 HydrophobicContact CG2-CD1 4.37Å; T16-F45 HydrophobicContact CG2-CD2 4.06Å; T16-F45 HydrophobicContact CG2-CE1 3.79Å; T16-F45 HydrophobicContact CG2-CE2 3.4Å; T16-F45 VanDerWaalsContact CG2-CE2 3.4Å; T16-F45 HydrophobicContact CG2-CG 4.48Å; T16-F45 HydrophobicContact CG2-CZ 3.25Å |
| 17 | L | 83.6 | Confident | 80.8 | Confident | 114 Ų | 114 | 80 Ų | 80 | 60% | 0.597 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 177.6 | -168 | 64.9 | 0 | 0 | 0 | 111.2 | T13 C14 A20 Y21 | T13-L17 VanDerWaalsContact O-CB 3.31Å; T13-L17 WeakPolarHBondContact O-CB 3.16Å; T13-L17 PolarHBondContact O-N 2.73Å; C14-L17 WeakPolarHBondContact O-CB 3.01Å; C14-L17 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 3.46Å; L17-Y21 PolarHBondContact O-N 3.33Å |
| 18 | Y | 79.8 | Confident | 80.7 | Confident | 148 Ų | 148 | 86.4 Ų | 86.4 | 58% | 0.58 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.9 | -54.8 | 175.5 | -173.6 | -92.2 | 0 | 0 | 0 | 113.2 | T16 A20 Y21 R22 | T16-Y18 VanDerWaalsContact C-N 3.31Å; T16-Y18 PolarHBondContact O-N 3.11Å; Y18-A20 VanDerWaalsContact C-N 3.29Å; Y18-A20 PolarHBondContact O-N 3.22Å; Y18-Y21 PolarHBondContact O-N 2.64Å; Y18-R22 HydrophobicContact CE1-CG 4.27Å; Y18-R22 PolarHBondContact O-N 3.44Å; Y18-R22 VanDerWaalsContact O-N 3.12Å |
| 19 | P | 79.9 | Confident | 80.8 | Confident | 5 Ų | 5 | 84.8 Ų | 84.8 | 3% | 0.032 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.1 | -27.4 | 175.3 | 28.9 | -36.8 | 0 | 0 | 0 | 112.7 | G15 T16 R22 S23 W38 Y41 | G15-P19 WeakPolarHBondContact O-CD 3.36Å; T16-P19 VanDerWaalsContact CA-CG 3.49Å; T16-P19 WeakPolarHBondContact O-CD 3.37Å; T16-P19 WeakPolarHBondContact O-CG 3.38Å; P19-R22 PolarHBondContact O-N 2.87Å; P19-S23 VanDerWaalsContact O-CB 3.23Å; P19-S23 WeakPolarHBondContact O-CB 3.02Å; P19-S23 PolarHBondContact O-N 3.42Å; P19-S23 PolarHBondContact O-OG 2.65Å; P19-W38 HydrophobicContact CB-CE3 3.75Å; P19-W38 HydrophobicContact CB-CH2 3.91Å; P19-W38 HydrophobicContact CB-CZ3 3.18Å; P19-Y41 HydrophobicContact CB-CD1 4.23Å; P19-Y41 HydrophobicContact CB-CE1 3.93Å; P19-Y41 HydrophobicContact CG-CE1 3.8Å |
| 20 | A | 83.2 | Confident | 80.7 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 31% | 0.306 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T16 L17 Y18 R22 S23 Y24 W42 | T16-A20 WeakPolarHBondContact O-CB 2.99Å; T16-A20 PolarHBondContact O-N 2.92Å; L17-A20 PolarHBondContact O-N 3.46Å; Y18-A20 VanDerWaalsContact C-N 3.29Å; Y18-A20 PolarHBondContact O-N 3.22Å; A20-R22 PolarHBondContact O-N 3.5Å; A20-S23 WeakPolarHBondContact O-CB 3.33Å; A20-S23 PolarHBondContact O-N 2.83Å; A20-Y24 PolarHBondContact O-N 3.36Å; A20-W42 HydrophobicContact CB-CH2 4.35Å; A20-W42 HydrophobicContact CB-CZ2 4.13Å |
| 21 | Y | 83.5 | Confident | 80.7 | Confident | 160 Ų | 160 | 87.4 Ų | 87.4 | 63% | 0.627 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 175.4 | -177.9 | -105.6 | 0 | 0 | 0 | 112.2 | L17 Y18 Y24 K25 | L17-Y21 PolarHBondContact O-N 3.33Å; Y18-Y21 PolarHBondContact O-N 2.64Å; Y21-Y24 WeakPolarHBondContact O-CB 3.46Å; Y21-Y24 PolarHBondContact O-N 3.3Å; Y21-K25 PolarHBondContact O-N 2.93Å; Y21-K25 VanDerWaalsContact O-N 3.07Å |
| 22 | R | 78.4 | Confident | 80.7 | Confident | 118 Ų | 118 | 87.6 Ų | 87.6 | 45% | 0.445 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 174.4 | -76.4 | -75.2 | -164 | 168.4 | 2.1 | 112.7 | Y18 P19 A20 Y24 K25 A26 W38 | Y18-R22 HydrophobicContact CE1-CG 4.27Å; Y18-R22 PolarHBondContact O-N 3.44Å; Y18-R22 VanDerWaalsContact O-N 3.12Å; P19-R22 PolarHBondContact O-N 2.87Å; A20-R22 PolarHBondContact O-N 3.5Å; R22-Y24 VanDerWaalsContact C-N 3.34Å; R22-K25 PolarHBondContact O-N 3.4Å; R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.15Å; R22-W38 HydrophobicContact CB-CD2 4.44Å; R22-W38 HydrophobicContact CB-CH2 3.76Å; R22-W38 HydrophobicContact CB-CZ2 3.14Å; R22-W38 HydrophobicContact CG-CH2 4.15Å; R22-W38 HydrophobicContact CG-CZ2 3.68Å |
| 23 | S | 81.8 | Confident | 81 | Confident | 18 Ų | 18 | 95.1 Ų | 95.1 | 13% | 0.126 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.6 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | P19 A20 K25 A26 V27 W42 | P19-S23 VanDerWaalsContact O-CB 3.23Å; P19-S23 WeakPolarHBondContact O-CB 3.02Å; P19-S23 PolarHBondContact O-N 3.42Å; P19-S23 PolarHBondContact O-OG 2.65Å; A20-S23 WeakPolarHBondContact O-CB 3.33Å; A20-S23 PolarHBondContact O-N 2.83Å; S23-K25 PolarHBondContact O-N 3.29Å; S23-A26 PolarHBondContact O-N 2.76Å; S23-V27 WeakPolarHBondContact O-CG2 3.22Å; S23-V27 PolarHBondContact O-N 3.48Å; S23-W42 PolarHBondContact OG-NE1 2.75Å |
| 24 | Y | 81.5 | Confident | 81.2 | Confident | 149 Ų | 149 | 95.5 Ų | 95.5 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.5 | -45.8 | 174.2 | 174.9 | -105.4 | 0 | 0 | 0 | 112 | A20 Y21 R22 A26 V27 R28 | A20-Y24 PolarHBondContact O-N 3.36Å; Y21-Y24 WeakPolarHBondContact O-CB 3.46Å; Y21-Y24 PolarHBondContact O-N 3.3Å; R22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-A26 VanDerWaalsContact C-N 3.35Å; Y24-A26 PolarHBondContact O-N 3.46Å; Y24-V27 PolarHBondContact O-N 3.45Å; Y24-R28 PolarHBondContact O-N 3.06Å; Y24-R28 VanDerWaalsContact O-N 3.11Å |
| 25 | K | 82.5 | Confident | 81.4 | Confident | 127 Ų | 127 | 96.9 Ų | 96.9 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 176.8 | -165.4 | 172.2 | -177.7 | 177.6 | 0 | 112.3 | Y21 R22 S23 R28 S29 | Y21-K25 PolarHBondContact O-N 2.93Å; Y21-K25 VanDerWaalsContact O-N 3.07Å; R22-K25 PolarHBondContact O-N 3.4Å; S23-K25 PolarHBondContact O-N 3.29Å; K25-R28 PolarHBondContact O-N 2.71Å; K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.48Å |
| 26 | A | 81.1 | Confident | 81.7 | Confident | 2 Ų | 2 | 99 Ų | 99 | 2% | 0.017 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R22 S23 Y24 S29 K30 E34 | R22-A26 WeakPolarHBondContact O-CB 3.43Å; R22-A26 PolarHBondContact O-N 3.15Å; S23-A26 PolarHBondContact O-N 2.76Å; Y24-A26 VanDerWaalsContact C-N 3.35Å; Y24-A26 PolarHBondContact O-N 3.46Å; A26-S29 PolarHBondContact O-N 3.14Å; A26-K30 PolarHBondContact O-N 2.79Å; A26-E34 HydrophobicContact CB-CB 3.9Å |
| 27 | V | 79.6 | Confident | 81.9 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | S23 Y24 S29 K30 Y35 | S23-V27 WeakPolarHBondContact O-CG2 3.22Å; S23-V27 PolarHBondContact O-N 3.48Å; Y24-V27 PolarHBondContact O-N 3.45Å; V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 PolarHBondContact O-N 2.75Å; V27-K30 PolarHBondContact O-N 2.78Å; V27-Y35 HydrophobicContact CG2-CD2 4.02Å; V27-Y35 HydrophobicContact CG2-CE2 4.19Å |
| 28 | R | 81.4 | Confident | 82 | Confident | 197 Ų | 197 | 102.1 Ų | 102.1 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.6 | -36.1 | 177.9 | -172.3 | 175.4 | 177.5 | 158.6 | 0 | 112.6 | Y24 K25 K30 | Y24-R28 PolarHBondContact O-N 3.06Å; Y24-R28 VanDerWaalsContact O-N 3.11Å; K25-R28 PolarHBondContact O-N 2.71Å; R28-K30 PolarHBondContact O-N 3.32Å |
| 29 | S | 79.8 | Confident | 82.2 | Confident | 62 Ų | 62 | 98.6 Ų | 98.6 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.8 | 178.8 | -166.1 | 0 | 0 | 0 | 0 | 113.8 | K25 A26 V27 N31 | K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.48Å; A26-S29 PolarHBondContact O-N 3.14Å; V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 PolarHBondContact O-N 2.75Å; S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 PolarHBondContact OG-ND2 3.07Å |
| 30 | K | 78.8 | Confident | 82.3 | Confident | 187 Ų | 187 | 103.3 Ų | 103.3 | 81% | 0.813 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 22.8 | -173.4 | -60.1 | -176.1 | 178.8 | 179.9 | 0 | 114 | A26 V27 R28 V32 | A26-K30 PolarHBondContact O-N 2.79Å; V27-K30 PolarHBondContact O-N 2.78Å; R28-K30 PolarHBondContact O-N 3.32Å; K30-V32 PolarHBondContact O-N 3.29Å; K30-V32 VanDerWaalsContact O-N 3.11Å |
| 31 | N | 81.5 | Confident | 82.2 | Confident | 60 Ų | 60 | 106.2 Ų | 106.2 | 32% | 0.321 | 48% | 0.478 | S | S | . | . | trans | -80 | 94.8 | 179.5 | -76.6 | -31.4 | 0 | 0 | 0 | 109.8 | S29 R33 E34 Y35 | S29-N31 PolarHBondContact O-N 3.39Å; S29-N31 PolarHBondContact OG-ND2 3.07Å; N31-R33 PolarHBondContact O-N 2.7Å; N31-E34 HydrophobicContact CB-CB 3.96Å; N31-E34 HydrophobicContact CB-CG 3.93Å; N31-E34 WeakPolarHBondContact CB-OE2 3.49Å; N31-E34 PolarHBondContact ND2-OE2 3.28Å; N31-E34 PolarHBondContact O-N 3.25Å; N31-Y35 PolarHBondContact O-N 3.09Å | ||
| 32 | V | 82.7 | Confident | 82.4 | Confident | 106 Ų | 106 | 102.4 Ų | 102.4 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -52.8 | -41.4 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | K30 E34 Y35 V36 | K30-V32 PolarHBondContact O-N 3.29Å; K30-V32 VanDerWaalsContact O-N 3.11Å; V32-E34 PolarHBondContact O-N 2.96Å; V32-Y35 PolarHBondContact O-N 3.49Å; V32-V36 HydrophobicContact CG1-CG2 4.23Å; V32-V36 VanDerWaalsContact O-CG2 3.28Å; V32-V36 WeakPolarHBondContact O-CG2 3.14Å; V32-V36 PolarHBondContact O-N 2.71Å |
| 33 | R | 83.8 | Confident | 82.6 | Confident | 202 Ų | 202 | 99 Ų | 99 | 76% | 0.762 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 179.5 | -67.7 | -167.9 | -63.5 | -94.1 | 0.4 | 113.6 | N31 K37 | N31-R33 PolarHBondContact O-N 2.7Å; R33-K37 VanDerWaalsContact O-CG 3.31Å; R33-K37 WeakPolarHBondContact O-CG 3.28Å; R33-K37 PolarHBondContact O-N 3.47Å |
| 34 | E | 83.5 | Confident | 82.6 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 38% | 0.383 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -73.8 | -42.1 | 177.7 | -66.7 | -176.9 | 155.2 | 0 | 0 | 110.3 | A26 N31 V32 V36 K37 W38 | A26-E34 HydrophobicContact CB-CB 3.9Å; N31-E34 HydrophobicContact CB-CB 3.96Å; N31-E34 HydrophobicContact CB-CG 3.93Å; N31-E34 WeakPolarHBondContact CB-OE2 3.49Å; N31-E34 PolarHBondContact ND2-OE2 3.28Å; N31-E34 PolarHBondContact O-N 3.25Å; V32-E34 PolarHBondContact O-N 2.96Å; E34-V36 PolarHBondContact O-N 3.34Å; E34-K37 PolarHBondContact O-N 3.08Å; E34-W38 PolarHBondContact O-N 3.44Å |
| 35 | Y | 85.6 | Confident | 82.5 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 43% | 0.431 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -56.5 | -47 | 174.6 | 178.6 | -98.3 | 0 | 0 | 0 | 112.1 | V27 N31 V32 K37 W38 M39 | V27-Y35 HydrophobicContact CG2-CD2 4.02Å; V27-Y35 HydrophobicContact CG2-CE2 4.19Å; N31-Y35 PolarHBondContact O-N 3.09Å; V32-Y35 PolarHBondContact O-N 3.49Å; Y35-K37 PolarHBondContact O-N 3.05Å; Y35-W38 PolarHBondContact O-N 3.41Å; Y35-M39 HydrophobicContact CE1-CE 3.91Å; Y35-M39 HydrophobicContact CE2-CE 3.94Å; Y35-M39 WeakPolarHBondContact O-CB 3.34Å; Y35-M39 PolarHBondContact O-N 2.9Å; Y35-M39 WeakPolarHBondContact OH-CE 3.31Å |
| 36 | V | 84.6 | Confident | 82.6 | Confident | 87 Ų | 87 | 90.2 Ų | 90.2 | 53% | 0.527 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | V32 E34 W38 M39 M40 | V32-V36 HydrophobicContact CG1-CG2 4.23Å; V32-V36 VanDerWaalsContact O-CG2 3.28Å; V32-V36 WeakPolarHBondContact O-CG2 3.14Å; V32-V36 PolarHBondContact O-N 2.71Å; E34-V36 PolarHBondContact O-N 3.34Å; V36-W38 PolarHBondContact O-N 2.87Å; V36-M39 PolarHBondContact O-N 2.89Å; V36-M40 WeakPolarHBondContact O-CB 3.44Å; V36-M40 PolarHBondContact O-N 3.19Å |
| 37 | K | 82.7 | Confident | 82.6 | Confident | 139 Ų | 139 | 92 Ų | 92 | 60% | 0.604 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 176.4 | -72.4 | 171.8 | -173.1 | 175.3 | 0 | 111.9 | R33 E34 Y35 Y41 | R33-K37 VanDerWaalsContact O-CG 3.31Å; R33-K37 WeakPolarHBondContact O-CG 3.28Å; R33-K37 PolarHBondContact O-N 3.47Å; E34-K37 PolarHBondContact O-N 3.08Å; Y35-K37 PolarHBondContact O-N 3.05Å; K37-Y41 PolarHBondContact O-N 3.33Å; K37-Y41 VanDerWaalsContact O-N 3.08Å |
| 38 | W | 85.7 | Confident | 82.6 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 176.6 | -73.7 | 116.9 | 0 | 0 | 0 | 111.7 | P19 R22 E34 Y35 V36 M40 Y41 W42 | P19-W38 HydrophobicContact CB-CE3 3.75Å; P19-W38 HydrophobicContact CB-CH2 3.91Å; P19-W38 HydrophobicContact CB-CZ3 3.18Å; R22-W38 HydrophobicContact CB-CD2 4.44Å; R22-W38 HydrophobicContact CB-CH2 3.76Å; R22-W38 HydrophobicContact CB-CZ2 3.14Å; R22-W38 HydrophobicContact CG-CH2 4.15Å; R22-W38 HydrophobicContact CG-CZ2 3.68Å; E34-W38 PolarHBondContact O-N 3.44Å; Y35-W38 PolarHBondContact O-N 3.41Å; V36-W38 PolarHBondContact O-N 2.87Å; W38-M40 VanDerWaalsContact C-N 3.3Å; W38-M40 PolarHBondContact O-N 3.3Å; W38-Y41 WeakPolarHBondContact O-CA 3.29Å; W38-Y41 WeakPolarHBondContact O-CB 3.3Å; W38-Y41 PolarHBondContact O-N 2.97Å; W38-Y41 VanDerWaalsContact O-N 3.08Å; W38-W42 PolarHBondContact O-N 2.86Å |
| 39 | M | 84.5 | Confident | 82.7 | Confident | 75 Ų | 75 | 83.6 Ų | 83.6 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.7 | -167.4 | 61.6 | 73.5 | 0 | 0 | 111.6 | Y35 V36 Y41 W42 I43 | Y35-M39 HydrophobicContact CE1-CE 3.91Å; Y35-M39 HydrophobicContact CE2-CE 3.94Å; Y35-M39 WeakPolarHBondContact O-CB 3.34Å; Y35-M39 PolarHBondContact O-N 2.9Å; Y35-M39 WeakPolarHBondContact OH-CE 3.31Å; V36-M39 PolarHBondContact O-N 2.89Å; M39-Y41 VanDerWaalsContact C-N 3.33Å; M39-Y41 PolarHBondContact O-N 3.28Å; M39-W42 PolarHBondContact O-N 3Å; M39-I43 HydrophobicContact CG-CD1 4.17Å; M39-I43 VanDerWaalsContact O-CG1 3.29Å; M39-I43 WeakPolarHBondContact O-CG1 3.1Å; M39-I43 PolarHBondContact O-N 3.25Å |
| 40 | M | 83 | Confident | 82.7 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 51% | 0.507 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 173.5 | -171.7 | -177.4 | 73.2 | 0 | 0 | 111.5 | V36 W38 I43 V44 | V36-M40 WeakPolarHBondContact O-CB 3.44Å; V36-M40 PolarHBondContact O-N 3.19Å; W38-M40 VanDerWaalsContact C-N 3.3Å; W38-M40 PolarHBondContact O-N 3.3Å; M40-I43 PolarHBondContact O-N 3.35Å; M40-V44 VanDerWaalsContact O-CG2 3.29Å; M40-V44 WeakPolarHBondContact O-CG2 3.47Å; M40-V44 PolarHBondContact O-N 2.91Å |
| 41 | Y | 81.3 | Confident | 82.8 | Confident | 99 Ų | 99 | 78.5 Ų | 78.5 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.5 | 178.6 | -92.8 | 0 | 0 | 0 | 111.9 | P19 K37 W38 M39 I43 V44 F45 | P19-Y41 HydrophobicContact CB-CD1 4.23Å; P19-Y41 HydrophobicContact CB-CE1 3.93Å; P19-Y41 HydrophobicContact CG-CE1 3.8Å; K37-Y41 PolarHBondContact O-N 3.33Å; K37-Y41 VanDerWaalsContact O-N 3.08Å; W38-Y41 WeakPolarHBondContact O-CA 3.29Å; W38-Y41 WeakPolarHBondContact O-CB 3.3Å; W38-Y41 PolarHBondContact O-N 2.97Å; W38-Y41 VanDerWaalsContact O-N 3.08Å; M39-Y41 VanDerWaalsContact C-N 3.33Å; M39-Y41 PolarHBondContact O-N 3.28Å; Y41-I43 PolarHBondContact O-N 3.33Å; Y41-V44 PolarHBondContact O-N 3.34Å; Y41-F45 VanDerWaalsContact O-CB 3.26Å; Y41-F45 WeakPolarHBondContact O-CB 3.36Å; Y41-F45 PolarHBondContact O-N 3.47Å |
| 42 | W | 86.6 | Confident | 82.6 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 30% | 0.303 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.3 | -74.1 | 112.7 | 0 | 0 | 0 | 112.9 | T16 A20 S23 W38 M39 F45 A46 | T16-W42 HydrophobicContact CG2-CH2 4.39Å; T16-W42 HydrophobicContact CG2-CZ3 4.18Å; A20-W42 HydrophobicContact CB-CH2 4.35Å; A20-W42 HydrophobicContact CB-CZ2 4.13Å; S23-W42 PolarHBondContact OG-NE1 2.75Å; W38-W42 PolarHBondContact O-N 2.86Å; M39-W42 PolarHBondContact O-N 3Å; W42-F45 HydrophobicContact CE3-CD1 4.25Å; W42-F45 HydrophobicContact CZ3-CD1 4.39Å; W42-F45 PolarHBondContact O-N 2.69Å; W42-A46 WeakPolarHBondContact O-CB 3.05Å; W42-A46 PolarHBondContact O-N 3.3Å |
| 43 | I | 83.5 | Confident | 82.5 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 176.8 | -64.5 | 161.2 | 0 | 0 | 0 | 110.6 | M39 M40 Y41 F45 A46 L47 Y89 V93 | M39-I43 HydrophobicContact CG-CD1 4.17Å; M39-I43 VanDerWaalsContact O-CG1 3.29Å; M39-I43 WeakPolarHBondContact O-CG1 3.1Å; M39-I43 PolarHBondContact O-N 3.25Å; M40-I43 PolarHBondContact O-N 3.35Å; Y41-I43 PolarHBondContact O-N 3.33Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 2.75Å; I43-A46 PolarHBondContact O-N 3.48Å; I43-L47 HydrophobicContact CG2-CD1 4.08Å; I43-L47 WeakPolarHBondContact O-CD1 3.13Å; I43-L47 WeakPolarHBondContact O-CG 3.26Å; I43-L47 PolarHBondContact O-N 3.37Å; I43-Y89 HydrophobicContact CD1-CE2 4.45Å; I43-Y89 HydrophobicContact CG2-CD2 4.34Å; I43-Y89 HydrophobicContact CG2-CE2 3.93Å; I43-V93 HydrophobicContact CG2-CG1 4.05Å |
| 44 | V | 80.1 | Confident | 82.3 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | M40 Y41 L47 F48 P80 A85 | M40-V44 VanDerWaalsContact O-CG2 3.29Å; M40-V44 WeakPolarHBondContact O-CG2 3.47Å; M40-V44 PolarHBondContact O-N 2.91Å; Y41-V44 PolarHBondContact O-N 3.34Å; V44-L47 PolarHBondContact O-N 3.5Å; V44-F48 WeakPolarHBondContact O-CB 3.25Å; V44-F48 PolarHBondContact O-N 3.5Å; V44-P80 HydrophobicContact CG1-CB 3.73Å; V44-P80 HydrophobicContact CG1-CG 4.09Å; V44-A85 HydrophobicContact CG1-CB 4.19Å |
| 45 | F | 81.1 | Confident | 82 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 176 | 178 | -95.4 | 0 | 0 | 0 | 112.6 | L12 T16 Y41 W42 I43 L47 F48 L49 | L12-F45 HydrophobicContact CD1-CE2 3.53Å; L12-F45 HydrophobicContact CD1-CZ 3.91Å; L12-F45 HydrophobicContact CD2-CE1 4.41Å; L12-F45 HydrophobicContact CD2-CE2 3.95Å; L12-F45 HydrophobicContact CD2-CZ 3.42Å; L12-F45 VanDerWaalsContact CD2-CZ 3.42Å; L12-F45 HydrophobicContact CG-CE2 3.62Å; L12-F45 HydrophobicContact CG-CZ 3.46Å; L12-F45 VanDerWaalsContact CG-CZ 3.46Å; T16-F45 HydrophobicContact CG2-CD1 4.37Å; T16-F45 HydrophobicContact CG2-CD2 4.06Å; T16-F45 HydrophobicContact CG2-CE1 3.79Å; T16-F45 HydrophobicContact CG2-CE2 3.4Å; T16-F45 VanDerWaalsContact CG2-CE2 3.4Å; T16-F45 HydrophobicContact CG2-CG 4.48Å; T16-F45 HydrophobicContact CG2-CZ 3.25Å; Y41-F45 VanDerWaalsContact O-CB 3.26Å; Y41-F45 WeakPolarHBondContact O-CB 3.36Å; Y41-F45 PolarHBondContact O-N 3.47Å; W42-F45 HydrophobicContact CE3-CD1 4.25Å; W42-F45 HydrophobicContact CZ3-CD1 4.39Å; W42-F45 PolarHBondContact O-N 2.69Å; I43-F45 VanDerWaalsContact C-N 3.3Å; I43-F45 PolarHBondContact O-N 2.75Å; F45-L47 PolarHBondContact O-N 2.71Å; F45-F48 WeakPolarHBondContact O-CB 3.39Å; F45-F48 PolarHBondContact O-N 3.01Å; F45-L49 HydrophobicContact CD1-CD1 4.14Å; F45-L49 HydrophobicContact CE1-CD1 3.59Å; F45-L49 HydrophobicContact CE1-CG 4.22Å; F45-L49 HydrophobicContact CZ-CD1 4.12Å; F45-L49 HydrophobicContact CZ-CG 4.41Å; F45-L49 PolarHBondContact O-N 3.41Å |
| 46 | A | 83.6 | Confident | 81.6 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W42 I43 L49 N50 | W42-A46 WeakPolarHBondContact O-CB 3.05Å; W42-A46 PolarHBondContact O-N 3.3Å; I43-A46 PolarHBondContact O-N 3.48Å; A46-L49 WeakPolarHBondContact O-CB 3.32Å; A46-L49 PolarHBondContact O-N 3.18Å; A46-N50 PolarHBondContact O-N 2.87Å; A46-N50 PolarHBondContact O-ND2 3.03Å |
| 47 | L | 81.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 174.3 | -68.8 | 160.6 | 0 | 0 | 0 | 111.5 | I43 V44 F45 L49 N50 I51 V93 | I43-L47 HydrophobicContact CG2-CD1 4.08Å; I43-L47 WeakPolarHBondContact O-CD1 3.13Å; I43-L47 WeakPolarHBondContact O-CG 3.26Å; I43-L47 PolarHBondContact O-N 3.37Å; V44-L47 PolarHBondContact O-N 3.5Å; F45-L47 PolarHBondContact O-N 2.71Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.84Å; L47-N50 WeakPolarHBondContact O-CB 3.19Å; L47-N50 PolarHBondContact O-N 3.44Å; L47-N50 VanDerWaalsContact O-N 3.08Å; L47-I51 VanDerWaalsContact O-CD1 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.18Å; L47-I51 PolarHBondContact O-N 2.94Å; L47-V93 HydrophobicContact CD1-CB 4.17Å; L47-V93 HydrophobicContact CD1-CG1 3.88Å; L47-V93 HydrophobicContact CD1-CG2 3.16Å; L47-V93 HydrophobicContact CD2-CG2 4.05Å; L47-V93 HydrophobicContact CG-CG2 4.23Å |
| 48 | F | 80.3 | Confident | 80.6 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 21% | 0.211 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56 | -45.8 | 174 | 173.7 | -98.9 | 0 | 0 | 0 | 111.2 | V44 F45 N50 I51 E52 I78 | V44-F48 WeakPolarHBondContact O-CB 3.25Å; V44-F48 PolarHBondContact O-N 3.5Å; F45-F48 WeakPolarHBondContact O-CB 3.39Å; F45-F48 PolarHBondContact O-N 3.01Å; F48-N50 VanDerWaalsContact C-N 3.35Å; F48-N50 PolarHBondContact O-N 3.35Å; F48-I51 PolarHBondContact O-N 3.47Å; F48-E52 PolarHBondContact O-N 3.45Å; F48-I78 HydrophobicContact CD2-CG1 4.23Å; F48-I78 HydrophobicContact CE2-CB 4.24Å; F48-I78 HydrophobicContact CE2-CD1 3.53Å; F48-I78 HydrophobicContact CE2-CG1 3.64Å; F48-I78 HydrophobicContact CZ-CD1 3.71Å; F48-I78 HydrophobicContact CZ-CG1 4.25Å |
| 49 | L | 82.1 | Confident | 79.7 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 31% | 0.314 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 173.4 | -78.3 | 176.8 | 0 | 0 | 0 | 112.8 | L12 F45 A46 L47 I51 E52 V53 | L12-L49 HydrophobicContact CD2-CD2 3.56Å; L12-L49 HydrophobicContact CD2-CG 4.37Å; F45-L49 HydrophobicContact CD1-CD1 4.14Å; F45-L49 HydrophobicContact CE1-CD1 3.59Å; F45-L49 HydrophobicContact CE1-CG 4.22Å; F45-L49 HydrophobicContact CZ-CD1 4.12Å; F45-L49 HydrophobicContact CZ-CG 4.41Å; F45-L49 PolarHBondContact O-N 3.41Å; A46-L49 WeakPolarHBondContact O-CB 3.32Å; A46-L49 PolarHBondContact O-N 3.18Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-L49 PolarHBondContact O-N 2.84Å; L49-I51 VanDerWaalsContact C-N 3.33Å; L49-I51 PolarHBondContact O-N 3.39Å; L49-E52 PolarHBondContact O-N 3.27Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 3.08Å |
| 50 | N | 81.2 | Confident | 78.9 | Confident | 105 Ų | 105 | 68.1 Ų | 68.1 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 175.6 | -84 | -89.1 | 0 | 0 | 0 | 111.5 | A46 L47 F48 E52 V53 V54 | A46-N50 PolarHBondContact O-N 2.87Å; A46-N50 PolarHBondContact O-ND2 3.03Å; L47-N50 WeakPolarHBondContact O-CB 3.19Å; L47-N50 PolarHBondContact O-N 3.44Å; L47-N50 VanDerWaalsContact O-N 3.08Å; F48-N50 VanDerWaalsContact C-N 3.35Å; F48-N50 PolarHBondContact O-N 3.35Å; N50-E52 VanDerWaalsContact C-N 3.33Å; N50-V53 PolarHBondContact O-N 2.84Å; N50-V54 VanDerWaalsContact O-CB 3.28Å; N50-V54 WeakPolarHBondContact O-CB 3.42Å; N50-V54 WeakPolarHBondContact O-CG2 3.37Å; N50-V54 PolarHBondContact O-N 3.33Å |
| 51 | I | 79.3 | Confident | 78 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -38 | 177.6 | -65.7 | 149.7 | 0 | 0 | 0 | 110.9 | L47 F48 L49 V54 A55 V74 L77 | L47-I51 VanDerWaalsContact O-CD1 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.18Å; L47-I51 PolarHBondContact O-N 2.94Å; F48-I51 PolarHBondContact O-N 3.47Å; L49-I51 VanDerWaalsContact C-N 3.33Å; L49-I51 PolarHBondContact O-N 3.39Å; I51-V54 PolarHBondContact O-N 3.32Å; I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.49Å; I51-V74 HydrophobicContact CG2-CG2 4.21Å; I51-L77 HydrophobicContact CD1-CD2 3.16Å; I51-L77 HydrophobicContact CD1-CG 4.45Å; I51-L77 HydrophobicContact CG1-CD2 4.2Å |
| 52 | E | 78.9 | Confident | 77.2 | Confident | 42 Ų | 42 | 75.1 Ų | 75.1 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.5 | -175.9 | 170.5 | -164.1 | 0 | 0 | 111.2 | K8 F48 L49 N50 A55 D56 | K8-E52 WeakPolarHBondContact CD-OE1 3.31Å; K8-E52 WeakPolarHBondContact CE-OE1 3.28Å; K8-E52 IonicContact NZ-OE1 3.63Å; K8-E52 PolarHBondContact NZ-OE1 3.08Å; F48-E52 PolarHBondContact O-N 3.45Å; L49-E52 PolarHBondContact O-N 3.27Å; N50-E52 VanDerWaalsContact C-N 3.33Å; E52-A55 CarbonylContact O-C 3.59Å; E52-A55 WeakPolarHBondContact O-CB 3.19Å; E52-A55 PolarHBondContact O-N 2.84Å; E52-D56 PolarHBondContact O-N 3.3Å |
| 53 | V | 79.7 | Confident | 76.2 | Confident | 81 Ų | 81 | 76.4 Ų | 76.4 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | L49 N50 A55 D56 I57 | L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 3.08Å; N50-V53 PolarHBondContact O-N 2.84Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 2.83Å; V53-D56 PolarHBondContact O-N 3.4Å; V53-D56 VanDerWaalsContact O-N 3.15Å; V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 VanDerWaalsContact O-CG1 3.31Å; V53-I57 WeakPolarHBondContact O-CG1 3.4Å; V53-I57 PolarHBondContact O-N 3.13Å |
| 54 | V | 80.2 | Confident | 75.3 | Confident | 68 Ų | 68 | 80 Ų | 80 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 176.3 | 168.1 | 0 | 0 | 0 | 0 | 109.7 | N50 I51 I57 F58 | N50-V54 VanDerWaalsContact O-CB 3.28Å; N50-V54 WeakPolarHBondContact O-CB 3.42Å; N50-V54 WeakPolarHBondContact O-CG2 3.37Å; N50-V54 PolarHBondContact O-N 3.33Å; I51-V54 PolarHBondContact O-N 3.32Å; V54-I57 PolarHBondContact O-N 3.3Å; V54-F58 HydrophobicContact CG1-CD2 3.39Å; V54-F58 HydrophobicContact CG1-CE2 3.2Å; V54-F58 HydrophobicContact CG1-CZ 4.44Å; V54-F58 WeakPolarHBondContact O-CB 3.33Å; V54-F58 WeakPolarHBondContact O-CD2 3.29Å; V54-F58 WeakPolarHBondContact O-CG 3.45Å; V54-F58 PolarHBondContact O-N 3.04Å |
| 55 | A | 75.9 | Confident | 74.7 | Confident | 13 Ų | 13 | 86.3 Ų | 86.3 | 11% | 0.107 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I51 E52 V53 I57 F58 L59 K70 | I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.49Å; E52-A55 CarbonylContact O-C 3.59Å; E52-A55 WeakPolarHBondContact O-CB 3.19Å; E52-A55 PolarHBondContact O-N 2.84Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 2.83Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.87Å; A55-F58 PolarHBondContact O-N 2.94Å; A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.49Å; A55-L59 PolarHBondContact O-N 3.13Å; A55-K70 PolarHBondContact O-NZ 2.9Å |
| 56 | D | 77.4 | Confident | 73.9 | Confident | 75 Ų | 75 | 92 Ų | 92 | 40% | 0.401 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 179.6 | -75.7 | -14.8 | 0 | 0 | 0 | 112 | E52 V53 L59 G60 | E52-D56 PolarHBondContact O-N 3.3Å; V53-D56 PolarHBondContact O-N 3.4Å; V53-D56 VanDerWaalsContact O-N 3.15Å; D56-L59 PolarHBondContact O-N 2.78Å; D56-G60 PolarHBondContact O-N 3.38Å |
| 57 | I | 73.9 | Confident | 72.8 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175.1 | -64.3 | 162.9 | 0 | 0 | 0 | 110.7 | V53 V54 A55 L59 G60 L61 | V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 VanDerWaalsContact O-CG1 3.31Å; V53-I57 WeakPolarHBondContact O-CG1 3.4Å; V53-I57 PolarHBondContact O-N 3.13Å; V54-I57 PolarHBondContact O-N 3.3Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.87Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 3.32Å; I57-G60 PolarHBondContact O-N 3.07Å; I57-L61 HydrophobicContact CG2-CD1 4.21Å |
| 58 | F | 72.9 | Confident | 72.6 | Confident | 140 Ų | 140 | 99.9 Ų | 99.9 | 61% | 0.614 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -31.6 | 177.6 | -79.9 | -62.2 | 0 | 0 | 0 | 113.3 | V54 A55 G60 L61 | V54-F58 HydrophobicContact CG1-CD2 3.39Å; V54-F58 HydrophobicContact CG1-CE2 3.2Å; V54-F58 HydrophobicContact CG1-CZ 4.44Å; V54-F58 WeakPolarHBondContact O-CB 3.33Å; V54-F58 WeakPolarHBondContact O-CD2 3.29Å; V54-F58 WeakPolarHBondContact O-CG 3.45Å; V54-F58 PolarHBondContact O-N 3.04Å; A55-F58 PolarHBondContact O-N 2.94Å; F58-G60 PolarHBondContact O-N 2.73Å; F58-L61 PolarHBondContact O-N 3.42Å |
| 59 | L | 66.3 | Low | 72.3 | Confident | 114 Ų | 114 | 101.2 Ų | 101.2 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -32.1 | 174.2 | -72.9 | 176.4 | 0 | 0 | 0 | 111.6 | A55 D56 I57 K70 | A55-L59 VanDerWaalsContact O-CG 3.29Å; A55-L59 WeakPolarHBondContact O-CG 3.49Å; A55-L59 PolarHBondContact O-N 3.13Å; D56-L59 PolarHBondContact O-N 2.78Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 3.32Å; L59-K70 VanDerWaalsContact CD2-NZ 3.31Å; L59-K70 VanDerWaalsContact CG-NZ 3.3Å |
| 60 | G | 67.9 | Low | 71.7 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D56 I57 F58 | D56-G60 PolarHBondContact O-N 3.38Å; I57-G60 PolarHBondContact O-N 3.07Å; F58-G60 PolarHBondContact O-N 2.73Å |
| 61 | L | 64.8 | Low | 71.3 | Confident | 119 Ų | 119 | 97.9 Ų | 97.9 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -38.3 | -158.3 | -73 | 169.7 | 0 | 0 | 0 | 117.8 | I57 F58 | I57-L61 HydrophobicContact CG2-CD1 4.21Å; F58-L61 PolarHBondContact O-N 3.42Å |
| 62 | W | 64.4 | Low | 71.3 | Confident | 231 Ų | 231 | 101.8 Ų | 101.8 | 88% | 0.875 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -154.8 | -39.8 | -161.2 | -145.5 | -97.2 | 0 | 0 | 0 | 124.9 | ||
| 63 | L | 65 | Low | 71.1 | Confident | 107 Ų | 107 | 104.9 Ų | 104.9 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | trans | -153.5 | 141.4 | -169.4 | -98.3 | 161.8 | 0 | 0 | 0 | 117 | Y66 | L63-Y66 HydrophobicContact CB-CD2 3.6Å; L63-Y66 HydrophobicContact CB-CE2 3.73Å; L63-Y66 HydrophobicContact CD1-CE2 4Å | ||
| 64 | P | 64.7 | Low | 70.6 | Confident | 119 Ų | 119 | 103 Ų | 103 | 77% | 0.773 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.3 | -171.9 | 31.5 | -34.8 | 0 | 0 | 0 | 118.6 | Y66 | P64-Y66 VanDerWaalsContact C-N 3.3Š|
| 65 | F | 68.3 | Low | 70.4 | Confident | 165 Ų | 165 | 104.1 Ų | 104.1 | 72% | 0.724 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.3 | 174.7 | -169.7 | -107 | 0 | 0 | 0 | 113.2 | Y67 | F65-Y67 VanDerWaalsContact C-N 3.28Å; F65-Y67 PolarHBondContact O-N 2.88Å |
| 66 | Y | 62.9 | Low | 70.3 | Confident | 154 Ų | 154 | 111.3 Ų | 111.3 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.6 | -21 | -177.1 | -82.6 | -85.6 | 0 | 0 | 0 | 113.6 | L63 P64 E68 K70 | L63-Y66 HydrophobicContact CB-CD2 3.6Å; L63-Y66 HydrophobicContact CB-CE2 3.73Å; L63-Y66 HydrophobicContact CD1-CE2 4Å; P64-Y66 VanDerWaalsContact C-N 3.3Å; Y66-E68 VanDerWaalsContact C-N 3.3Å; Y66-E68 PolarHBondContact O-N 3.47Å; Y66-K70 WeakPolarHBondContact O-CB 3.17Å; Y66-K70 PolarHBondContact O-N 2.87Å |
| 67 | Y | 61.3 | Low | 69.9 | Low | 147 Ų | 147 | 108.7 Ų | 108.7 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -53.2 | -47.9 | -176.3 | -176.7 | -101 | 0 | 0 | 0 | 111.6 | F65 K70 I71 | F65-Y67 VanDerWaalsContact C-N 3.28Å; F65-Y67 PolarHBondContact O-N 2.88Å; Y67-K70 PolarHBondContact O-N 2.9Å; Y67-I71 HydrophobicContact CD2-CG2 4.48Å; Y67-I71 HydrophobicContact CE1-CD1 4.2Å; Y67-I71 HydrophobicContact CE1-CG2 4.27Å; Y67-I71 HydrophobicContact CE2-CG2 4.16Å; Y67-I71 WeakPolarHBondContact O-CG1 3.38Å; Y67-I71 WeakPolarHBondContact O-CG2 3.41Å; Y67-I71 PolarHBondContact O-N 3.36Å |
| 68 | E | 78 | Confident | 69.5 | Low | 103 Ų | 103 | 108 Ų | 108 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -53.9 | -176.3 | -66.1 | -58.2 | 149.8 | 0 | 0 | 113.3 | Y66 K70 I71 M72 | Y66-E68 VanDerWaalsContact C-N 3.3Å; Y66-E68 PolarHBondContact O-N 3.47Å; E68-K70 PolarHBondContact O-N 3.48Å; E68-I71 VanDerWaalsContact O-CG1 3.22Å; E68-I71 WeakPolarHBondContact O-CG1 2.79Å; E68-I71 PolarHBondContact O-N 3.29Å; E68-M72 WeakPolarHBondContact O-CB 3.46Å; E68-M72 WeakPolarHBondContact O-CG 3.42Å; E68-M72 PolarHBondContact O-N 2.73Å |
| 69 | C | 72.6 | Confident | 69.2 | Low | 77 Ų | 77 | 103.3 Ų | 103.3 | 52% | 0.52 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 178.2 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | F73 | C69-F73 WeakPolarHBondContact O-CB 3.5Å; C69-F73 PolarHBondContact O-N 3.49Å |
| 70 | K | 70.3 | Confident | 68.8 | Low | 43 Ų | 43 | 99.8 Ų | 99.8 | 19% | 0.187 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -75.9 | -47 | 179.4 | -179.9 | 179.2 | 179.6 | 169.7 | 0 | 112.6 | A55 L59 Y66 Y67 E68 M72 F73 V74 | A55-K70 PolarHBondContact O-NZ 2.9Å; L59-K70 VanDerWaalsContact CD2-NZ 3.31Å; L59-K70 VanDerWaalsContact CG-NZ 3.3Å; Y66-K70 WeakPolarHBondContact O-CB 3.17Å; Y66-K70 PolarHBondContact O-N 2.87Å; Y67-K70 PolarHBondContact O-N 2.9Å; E68-K70 PolarHBondContact O-N 3.48Å; K70-M72 PolarHBondContact O-N 2.89Å; K70-F73 PolarHBondContact O-N 3.36Å; K70-F73 VanDerWaalsContact O-N 3.17Å; K70-V74 HydrophobicContact CG-CG2 4.24Å; K70-V74 WeakPolarHBondContact O-CB 3.43Å; K70-V74 VanDerWaalsContact O-CG2 3.3Å; K70-V74 WeakPolarHBondContact O-CG2 2.95Å; K70-V74 PolarHBondContact O-N 3.23Å |
| 71 | I | 73.3 | Confident | 68.3 | Low | 51 Ų | 51 | 107.1 Ų | 107.1 | 26% | 0.262 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 173.8 | 63.1 | 170.2 | 0 | 0 | 0 | 109.8 | Y67 E68 L75 | Y67-I71 HydrophobicContact CD2-CG2 4.48Å; Y67-I71 HydrophobicContact CE1-CD1 4.2Å; Y67-I71 HydrophobicContact CE1-CG2 4.27Å; Y67-I71 HydrophobicContact CE2-CG2 4.16Å; Y67-I71 WeakPolarHBondContact O-CG1 3.38Å; Y67-I71 WeakPolarHBondContact O-CG2 3.41Å; Y67-I71 PolarHBondContact O-N 3.36Å; E68-I71 VanDerWaalsContact O-CG1 3.22Å; E68-I71 WeakPolarHBondContact O-CG1 2.79Å; E68-I71 PolarHBondContact O-N 3.29Å; I71-L75 HydrophobicContact CB-CD1 4.35Å; I71-L75 WeakPolarHBondContact O-CA 3.05Å; I71-L75 WeakPolarHBondContact O-CB 3.14Å; I71-L75 WeakPolarHBondContact O-CD1 3.48Å; I71-L75 WeakPolarHBondContact O-CG 3.29Å; I71-L75 PolarHBondContact O-N 3.43Å |
| 72 | M | 77.8 | Confident | 68 | Low | 119 Ų | 119 | 105.3 Ų | 105.3 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -42.7 | 174.7 | -77 | -65.8 | 163.3 | 0 | 0 | 111.8 | E68 K70 W76 | E68-M72 WeakPolarHBondContact O-CB 3.46Å; E68-M72 WeakPolarHBondContact O-CG 3.42Å; E68-M72 PolarHBondContact O-N 2.73Å; K70-M72 PolarHBondContact O-N 2.89Å; M72-W76 WeakPolarHBondContact O-CB 3.26Å; M72-W76 PolarHBondContact O-N 3.4Å |
| 73 | F | 74.6 | Confident | 68 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -49 | 175.8 | -165.8 | -105.4 | 0 | 0 | 0 | 111.3 | C69 K70 L75 W76 L77 | C69-F73 WeakPolarHBondContact O-CB 3.5Å; C69-F73 PolarHBondContact O-N 3.49Å; K70-F73 PolarHBondContact O-N 3.36Å; K70-F73 VanDerWaalsContact O-N 3.17Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 2.8Å; F73-W76 HydrophobicContact CD2-CE3 4.45Å; F73-W76 PolarHBondContact O-N 3.24Å; F73-L77 HydrophobicContact CD1-CD1 3.61Å; F73-L77 HydrophobicContact CD2-CD1 3.96Å; F73-L77 HydrophobicContact CE1-CD1 3.48Å; F73-L77 VanDerWaalsContact CE1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD2 4.2Å; F73-L77 HydrophobicContact CE2-CD1 3.84Å; F73-L77 HydrophobicContact CG-CD1 3.85Å; F73-L77 HydrophobicContact CZ-CD1 3.6Å; F73-L77 WeakPolarHBondContact O-CB 3.2Å; F73-L77 WeakPolarHBondContact O-CD1 3.48Å; F73-L77 PolarHBondContact O-N 2.97Å |
| 74 | V | 71.1 | Confident | 68.2 | Low | 40 Ų | 40 | 100 Ų | 100 | 24% | 0.242 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 111 | I51 K70 L77 I78 | I51-V74 HydrophobicContact CG2-CG2 4.21Å; K70-V74 HydrophobicContact CG-CG2 4.24Å; K70-V74 WeakPolarHBondContact O-CB 3.43Å; K70-V74 VanDerWaalsContact O-CG2 3.3Å; K70-V74 WeakPolarHBondContact O-CG2 2.95Å; K70-V74 PolarHBondContact O-N 3.23Å; V74-L77 CarbonylContact O-C 3.52Å; V74-L77 PolarHBondContact O-N 3.22Å; V74-I78 WeakPolarHBondContact O-CA 3.42Å; V74-I78 VanDerWaalsContact O-CB 3.25Å; V74-I78 WeakPolarHBondContact O-CB 3.37Å; V74-I78 PolarHBondContact O-N 2.66Å |
| 75 | L | 74.5 | Confident | 68.4 | Low | 93 Ų | 93 | 94.7 Ų | 94.7 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 175.4 | -82.6 | 160.6 | 0 | 0 | 0 | 111.5 | I71 F73 L77 I78 S79 | I71-L75 HydrophobicContact CB-CD1 4.35Å; I71-L75 WeakPolarHBondContact O-CA 3.05Å; I71-L75 WeakPolarHBondContact O-CB 3.14Å; I71-L75 WeakPolarHBondContact O-CD1 3.48Å; I71-L75 WeakPolarHBondContact O-CG 3.29Å; I71-L75 PolarHBondContact O-N 3.43Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 2.8Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 PolarHBondContact O-N 3.28Å; L75-I78 HydrophobicContact CD2-CG2 3.95Å; L75-I78 CarbonylContact O-C 3.6Å; L75-I78 PolarHBondContact O-N 2.77Å; L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.09Å; L75-S79 PolarHBondContact O-N 3.23Å |
| 76 | W | 75.2 | Confident | 68.4 | Low | 163 Ų | 163 | 89.9 Ų | 89.9 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | 174.2 | -173.3 | 14.1 | 0 | 0 | 0 | 110.8 | M72 F73 S79 | M72-W76 WeakPolarHBondContact O-CB 3.26Å; M72-W76 PolarHBondContact O-N 3.4Å; F73-W76 HydrophobicContact CD2-CE3 4.45Å; F73-W76 PolarHBondContact O-N 3.24Å; W76-S79 CarbonylContact O-C 3.58Å |
| 77 | L | 67.1 | Low | 69 | Low | 20 Ų | 20 | 89.2 Ų | 89.2 | 11% | 0.105 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -77.6 | -31.7 | 174.3 | -83 | 88.1 | 0 | 0 | 0 | 113.7 | I51 F73 V74 L75 P80 L88 | I51-L77 HydrophobicContact CD1-CD2 3.16Å; I51-L77 HydrophobicContact CD1-CG 4.45Å; I51-L77 HydrophobicContact CG1-CD2 4.2Å; F73-L77 HydrophobicContact CD1-CD1 3.61Å; F73-L77 HydrophobicContact CD2-CD1 3.96Å; F73-L77 HydrophobicContact CE1-CD1 3.48Å; F73-L77 VanDerWaalsContact CE1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD2 4.2Å; F73-L77 HydrophobicContact CE2-CD1 3.84Å; F73-L77 HydrophobicContact CG-CD1 3.85Å; F73-L77 HydrophobicContact CZ-CD1 3.6Å; F73-L77 WeakPolarHBondContact O-CB 3.2Å; F73-L77 WeakPolarHBondContact O-CD1 3.48Å; F73-L77 PolarHBondContact O-N 2.97Å; V74-L77 CarbonylContact O-C 3.52Å; V74-L77 PolarHBondContact O-N 3.22Å; L75-L77 VanDerWaalsContact C-N 3.26Å; L75-L77 PolarHBondContact O-N 3.28Å; L77-P80 VanDerWaalsContact O-CB 3.32Å; L77-P80 WeakPolarHBondContact O-CB 3.45Å; L77-P80 WeakPolarHBondContact O-CD 3.26Å; L77-P80 VanDerWaalsContact O-N 3.1Å; L77-L88 HydrophobicContact CD2-CD2 3.45Å; L77-L88 VanDerWaalsContact CD2-CD2 3.45Å; L77-L88 HydrophobicContact CG-CD2 4.25Å |
| 78 | I | 65.5 | Low | 69.7 | Low | 89 Ų | 89 | 83.9 Ų | 83.9 | 46% | 0.456 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81.2 | -8.1 | 173.7 | -143.7 | 172.5 | 0 | 0 | 0 | 112.4 | F48 V74 L75 P80 | F48-I78 HydrophobicContact CD2-CG1 4.23Å; F48-I78 HydrophobicContact CE2-CB 4.24Å; F48-I78 HydrophobicContact CE2-CD1 3.53Å; F48-I78 HydrophobicContact CE2-CG1 3.64Å; F48-I78 HydrophobicContact CZ-CD1 3.71Å; F48-I78 HydrophobicContact CZ-CG1 4.25Å; V74-I78 WeakPolarHBondContact O-CA 3.42Å; V74-I78 VanDerWaalsContact O-CB 3.25Å; V74-I78 WeakPolarHBondContact O-CB 3.37Å; V74-I78 PolarHBondContact O-N 2.66Å; L75-I78 HydrophobicContact CD2-CG2 3.95Å; L75-I78 CarbonylContact O-C 3.6Å; L75-I78 PolarHBondContact O-N 2.77Å; I78-P80 VanDerWaalsContact C-N 3.31Å; I78-P80 VanDerWaalsContact CA-CD 3.47Å; I78-P80 WeakPolarHBondContact O-CD 3.3Å |
| 79 | S | 68 | Low | 69.4 | Low | 40 Ų | 40 | 82.2 Ų | 82.2 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | trans | -91.7 | 49.8 | 152.3 | -157.5 | 0 | 0 | 0 | 0 | 110.4 | L75 W76 Y81 T82 | L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.09Å; L75-S79 PolarHBondContact O-N 3.23Å; W76-S79 CarbonylContact O-C 3.58Å; S79-Y81 PolarHBondContact O-N 3.42Å; S79-Y81 VanDerWaalsContact O-N 3.14Å; S79-T82 PolarHBondContact O-N 2.73Å; S79-T82 PolarHBondContact O-OG1 2.79Å; S79-T82 PolarHBondContact OG-OG1 3.06Å | ||
| 80 | P | 57.9 | Low | 69.5 | Low | 41 Ų | 41 | 88.1 Ų | 88.1 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.1 | 173.4 | 37.3 | -35.6 | 0 | 0 | 0 | 110 | V44 L77 I78 T82 A85 | V44-P80 HydrophobicContact CG1-CB 3.73Å; V44-P80 HydrophobicContact CG1-CG 4.09Å; L77-P80 VanDerWaalsContact O-CB 3.32Å; L77-P80 WeakPolarHBondContact O-CB 3.45Å; L77-P80 WeakPolarHBondContact O-CD 3.26Å; L77-P80 VanDerWaalsContact O-N 3.1Å; I78-P80 VanDerWaalsContact C-N 3.31Å; I78-P80 VanDerWaalsContact CA-CD 3.47Å; I78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-T82 VanDerWaalsContact C-N 3.29Å; P80-T82 PolarHBondContact O-N 3.46Å; P80-A85 HydrophobicContact CB-CB 3.01Å; P80-A85 HydrophobicContact CG-CB 4.49Å |
| 81 | Y | 57 | Low | 69.8 | Low | 221 Ų | 221 | 92.6 Ų | 92.6 | 87% | 0.867 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -33.7 | 173.4 | -170.6 | -106.6 | 0 | 0 | 0 | 111.9 | S79 | S79-Y81 PolarHBondContact O-N 3.42Å; S79-Y81 VanDerWaalsContact O-N 3.14Å |
| 82 | T | 58.9 | Low | 70 | Confident | 80 Ų | 80 | 96.5 Ų | 96.5 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 75.9 | -179.5 | 63 | 0 | 0 | 0 | 0 | 112.7 | S79 P80 G84 | S79-T82 PolarHBondContact O-N 2.73Å; S79-T82 PolarHBondContact O-OG1 2.79Å; S79-T82 PolarHBondContact OG-OG1 3.06Å; P80-T82 VanDerWaalsContact C-N 3.29Å; P80-T82 PolarHBondContact O-N 3.46Å; T82-G84 PolarHBondContact O-N 3.31Å |
| 83 | R | 64.9 | Low | 69.9 | Low | 214 Ų | 214 | 91 Ų | 91 | 81% | 0.808 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -21.6 | 171.2 | -60.9 | -174.1 | 175.4 | 92.4 | -1.1 | 117.6 | S86 F87 | R83-S86 PolarHBondContact O-N 2.8Å; R83-F87 WeakPolarHBondContact O-CB 3.27Å; R83-F87 PolarHBondContact O-N 3.41Å |
| 84 | G | 68.7 | Low | 70 | Confident | 12 Ų | 12 | 90.7 Ų | 90.7 | 12% | 0.124 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.5 | -50.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T82 S86 F87 L88 | T82-G84 PolarHBondContact O-N 3.31Å; G84-S86 PolarHBondContact O-N 2.85Å; G84-F87 WeakPolarHBondContact O-CB 3.43Å; G84-F87 PolarHBondContact O-N 3.43Å; G84-L88 PolarHBondContact O-N 3.27Å |
| 85 | A | 67.5 | Low | 70.4 | Confident | 9 Ų | 9 | 91.7 Ų | 91.7 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.2 | -28.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V44 P80 F87 L88 Y89 | V44-A85 HydrophobicContact CG1-CB 4.19Å; P80-A85 HydrophobicContact CB-CB 3.01Å; P80-A85 HydrophobicContact CG-CB 4.49Å; A85-F87 VanDerWaalsContact C-N 3.26Å; A85-F87 PolarHBondContact O-N 2.77Å; A85-L88 PolarHBondContact O-N 3.47Å; A85-Y89 WeakPolarHBondContact O-CA 3.46Å; A85-Y89 WeakPolarHBondContact O-CB 3.33Å; A85-Y89 PolarHBondContact O-N 2.71Å |
| 86 | S | 69.7 | Low | 70.5 | Confident | 64 Ų | 64 | 91.4 Ų | 91.4 | 45% | 0.448 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 170.5 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | R83 G84 R90 | R83-S86 PolarHBondContact O-N 2.8Å; G84-S86 PolarHBondContact O-N 2.85Å; S86-R90 WeakPolarHBondContact O-CG 3.48Å; S86-R90 PolarHBondContact O-N 2.89Å; S86-R90 VanDerWaalsContact O-N 3.11Å |
| 87 | F | 74.9 | Confident | 70.7 | Confident | 140 Ų | 140 | 87.1 Ų | 87.1 | 61% | 0.614 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.6 | -47.7 | 174.6 | -174.8 | -97.5 | 0 | 0 | 0 | 111.6 | R83 G84 A85 Y89 R90 K91 | R83-F87 WeakPolarHBondContact O-CB 3.27Å; R83-F87 PolarHBondContact O-N 3.41Å; G84-F87 WeakPolarHBondContact O-CB 3.43Å; G84-F87 PolarHBondContact O-N 3.43Å; A85-F87 VanDerWaalsContact C-N 3.26Å; A85-F87 PolarHBondContact O-N 2.77Å; F87-Y89 VanDerWaalsContact C-N 3.26Å; F87-Y89 PolarHBondContact O-N 2.97Å; F87-R90 PolarHBondContact O-N 3.18Å; F87-K91 HydrophobicContact CE1-CB 4.31Å; F87-K91 HydrophobicContact CE1-CG 4.39Å; F87-K91 VanDerWaalsContact O-CB 3.22Å; F87-K91 WeakPolarHBondContact O-CB 3.06Å; F87-K91 PolarHBondContact O-N 3.43Å |
| 88 | L | 76 | Confident | 71.3 | Confident | 34 Ų | 34 | 89.8 Ų | 89.8 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 175 | -168.3 | 78 | 0 | 0 | 0 | 111.3 | L77 G84 A85 K91 F92 V93 | L77-L88 HydrophobicContact CD2-CD2 3.45Å; L77-L88 VanDerWaalsContact CD2-CD2 3.45Å; L77-L88 HydrophobicContact CG-CD2 4.25Å; G84-L88 PolarHBondContact O-N 3.27Å; A85-L88 PolarHBondContact O-N 3.47Å; L88-K91 PolarHBondContact O-N 3.01Å; L88-F92 HydrophobicContact CD1-CB 4.24Å; L88-F92 HydrophobicContact CD1-CD2 3.52Å; L88-F92 HydrophobicContact CD1-CE2 4.13Å; L88-F92 HydrophobicContact CD1-CG 4.09Å; L88-F92 HydrophobicContact CG-CB 4.45Å; L88-F92 HydrophobicContact CG-CD2 4.41Å; L88-F92 WeakPolarHBondContact O-CA 3.08Å; L88-F92 WeakPolarHBondContact O-CB 3.49Å; L88-F92 PolarHBondContact O-N 2.71Å; L88-V93 PolarHBondContact O-N 3.44Å; L88-V93 VanDerWaalsContact O-N 3.09Å |
| 89 | Y | 71.1 | Confident | 72.1 | Confident | 68 Ų | 68 | 94.7 Ų | 94.7 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | I | π-helix | trans | -60.7 | -50.6 | 177.4 | -174.8 | -89.7 | 0 | 0 | 0 | 110.7 | I43 A85 F87 K91 V93 H94 | I43-Y89 HydrophobicContact CD1-CE2 4.45Å; I43-Y89 HydrophobicContact CG2-CD2 4.34Å; I43-Y89 HydrophobicContact CG2-CE2 3.93Å; A85-Y89 WeakPolarHBondContact O-CA 3.46Å; A85-Y89 WeakPolarHBondContact O-CB 3.33Å; A85-Y89 PolarHBondContact O-N 2.71Å; F87-Y89 VanDerWaalsContact C-N 3.26Å; F87-Y89 PolarHBondContact O-N 2.97Å; Y89-K91 PolarHBondContact O-N 2.78Å; Y89-V93 HydrophobicContact CD2-CB 3.78Å; Y89-V93 HydrophobicContact CD2-CG1 3.6Å; Y89-V93 HydrophobicContact CD2-CG2 4.23Å; Y89-V93 HydrophobicContact CE2-CB 4.27Å; Y89-V93 HydrophobicContact CE2-CG1 3.67Å; Y89-V93 HydrophobicContact CG-CB 4.19Å; Y89-V93 HydrophobicContact CG-CG1 4.45Å; Y89-V93 CarbonylContact O-C 3.6Å; Y89-V93 WeakPolarHBondContact O-CB 3.28Å; Y89-V93 PolarHBondContact O-N 3.33Å; Y89-H94 WeakPolarHBondContact O-CB 3.31Å; Y89-H94 PolarHBondContact O-N 3.41Å |
| 90 | R | 75.7 | Confident | 72.9 | Confident | 202 Ų | 202 | 96 Ų | 96 | 76% | 0.762 | 44% | 0.443 | S | S | * | . | I | π-helix | trans | -68.3 | -34.6 | 179.8 | -70.3 | 177.4 | -180 | -110.4 | 1.4 | 113 | S86 F87 P95 | S86-R90 WeakPolarHBondContact O-CG 3.48Å; S86-R90 PolarHBondContact O-N 2.89Å; S86-R90 VanDerWaalsContact O-N 3.11Å; F87-R90 PolarHBondContact O-N 3.18Å; R90-P95 WeakPolarHBondContact O-CD 3.34Å |
| 91 | K | 77 | Confident | 74.2 | Confident | 137 Ų | 137 | 99.6 Ų | 99.6 | 60% | 0.596 | 46% | 0.456 | S | S | * | . | I | π-helix | trans | -93.2 | -34.8 | -169.5 | -169.9 | 61.9 | 175.7 | -176.2 | 0 | 114.4 | F87 L88 Y89 P95 | F87-K91 HydrophobicContact CE1-CB 4.31Å; F87-K91 HydrophobicContact CE1-CG 4.39Å; F87-K91 VanDerWaalsContact O-CB 3.22Å; F87-K91 WeakPolarHBondContact O-CB 3.06Å; F87-K91 PolarHBondContact O-N 3.43Å; L88-K91 PolarHBondContact O-N 3.01Å; Y89-K91 PolarHBondContact O-N 2.78Å; K91-P95 WeakPolarHBondContact O-CG 3.33Å |
| 92 | F | 76.3 | Confident | 75.6 | Confident | 132 Ų | 132 | 96 Ų | 96 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | I | π-helix | trans | -113.1 | -52 | -179.2 | -73.5 | -88.5 | 0 | 0 | 0 | 110.8 | L88 P95 L96 | L88-F92 HydrophobicContact CD1-CB 4.24Å; L88-F92 HydrophobicContact CD1-CD2 3.52Å; L88-F92 HydrophobicContact CD1-CE2 4.13Å; L88-F92 HydrophobicContact CD1-CG 4.09Å; L88-F92 HydrophobicContact CG-CB 4.45Å; L88-F92 HydrophobicContact CG-CD2 4.41Å; L88-F92 WeakPolarHBondContact O-CA 3.08Å; L88-F92 WeakPolarHBondContact O-CB 3.49Å; L88-F92 PolarHBondContact O-N 2.71Å; F92-P95 WeakPolarHBondContact O-CD 3.36Å; F92-P95 WeakPolarHBondContact O-CG 3.24Å; F92-L96 WeakPolarHBondContact O-CB 3.39Å; F92-L96 PolarHBondContact O-N 2.89Å |
| 93 | V | 76 | Confident | 76.9 | Confident | 3 Ų | 3 | 95.3 Ų | 95.3 | 2% | 0.018 | 44% | 0.438 | C | S | . | . | I | π-helix | trans | -68.3 | -49.2 | -171.6 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | I43 L47 L88 Y89 L96 L97 | I43-V93 HydrophobicContact CG2-CG1 4.05Å; L47-V93 HydrophobicContact CD1-CB 4.17Å; L47-V93 HydrophobicContact CD1-CG1 3.88Å; L47-V93 HydrophobicContact CD1-CG2 3.16Å; L47-V93 HydrophobicContact CD2-CG2 4.05Å; L47-V93 HydrophobicContact CG-CG2 4.23Å; L88-V93 PolarHBondContact O-N 3.44Å; L88-V93 VanDerWaalsContact O-N 3.09Å; Y89-V93 HydrophobicContact CD2-CB 3.78Å; Y89-V93 HydrophobicContact CD2-CG1 3.6Å; Y89-V93 HydrophobicContact CD2-CG2 4.23Å; Y89-V93 HydrophobicContact CE2-CB 4.27Å; Y89-V93 HydrophobicContact CE2-CG1 3.67Å; Y89-V93 HydrophobicContact CG-CB 4.19Å; Y89-V93 HydrophobicContact CG-CG1 4.45Å; Y89-V93 CarbonylContact O-C 3.6Å; Y89-V93 WeakPolarHBondContact O-CB 3.28Å; Y89-V93 PolarHBondContact O-N 3.33Å; V93-L96 CarbonylContact O-C 3.53Å; V93-L96 PolarHBondContact O-N 3.17Å; V93-L97 HydrophobicContact CG1-CD1 3.52Å; V93-L97 HydrophobicContact CG1-CD2 4.37Å; V93-L97 VanDerWaalsContact O-CB 3.28Å; V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 VanDerWaalsContact O-CD1 3.31Å; V93-L97 WeakPolarHBondContact O-CD1 3.35Å; V93-L97 PolarHBondContact O-N 3.06Å |
| 94 | H | 77.2 | Confident | 77.9 | Confident | 102 Ų | 102 | 89.8 Ų | 89.8 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 179.7 | -175.4 | -81.6 | 0 | 0 | 0 | 112.2 | Y89 L97 V98 | Y89-H94 WeakPolarHBondContact O-CB 3.31Å; Y89-H94 PolarHBondContact O-N 3.41Å; H94-L97 PolarHBondContact O-N 2.99Å; H94-V98 VanDerWaalsContact O-CG2 3.31Å; H94-V98 WeakPolarHBondContact O-CG2 3.28Å; H94-V98 PolarHBondContact O-N 2.94Å |
| 95 | P | 80.3 | Confident | 79 | Confident | 61 Ų | 61 | 93.1 Ų | 93.1 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69 | -33.5 | 175.2 | 23.3 | -30.2 | 0 | 0 | 0 | 113.2 | R90 K91 F92 R99 | R90-P95 WeakPolarHBondContact O-CD 3.34Å; K91-P95 WeakPolarHBondContact O-CG 3.33Å; F92-P95 WeakPolarHBondContact O-CD 3.36Å; F92-P95 WeakPolarHBondContact O-CG 3.24Å; P95-R99 WeakPolarHBondContact O-CB 3.33Å; P95-R99 PolarHBondContact O-N 3.05Å |
| 96 | L | 76.3 | Confident | 80.1 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 174 | -168.8 | 82.9 | 0 | 0 | 0 | 110.3 | F92 V93 R99 H100 | F92-L96 WeakPolarHBondContact O-CB 3.39Å; F92-L96 PolarHBondContact O-N 2.89Å; V93-L96 CarbonylContact O-C 3.53Å; V93-L96 PolarHBondContact O-N 3.17Å; L96-R99 PolarHBondContact O-N 3.11Å; L96-H100 WeakPolarHBondContact CD1-CE1 3.39Å; L96-H100 WeakPolarHBondContact CD1-ND1 3.44Å; L96-H100 WeakPolarHBondContact O-CB 3.01Å; L96-H100 PolarHBondContact O-N 2.77Å; L96-H100 PolarHBondContact O-ND1 3.42Å |
| 97 | L | 78.2 | Confident | 81 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 38% | 0.382 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.2 | -53.1 | 177.9 | -99.2 | 63.6 | 0 | 0 | 0 | 110.7 | V93 H94 R99 H100 E101 | V93-L97 HydrophobicContact CG1-CD1 3.52Å; V93-L97 HydrophobicContact CG1-CD2 4.37Å; V93-L97 VanDerWaalsContact O-CB 3.28Å; V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 VanDerWaalsContact O-CD1 3.31Å; V93-L97 WeakPolarHBondContact O-CD1 3.35Å; V93-L97 PolarHBondContact O-N 3.06Å; H94-L97 PolarHBondContact O-N 2.99Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.67Å; L97-H100 CarbonylContact O-C 3.59Å; L97-H100 PolarHBondContact O-N 3.28Å; L97-E101 WeakPolarHBondContact O-CA 3.47Å; L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 PolarHBondContact O-N 3.38Å |
| 98 | V | 81.3 | Confident | 81.8 | Confident | 77 Ų | 77 | 100.8 Ų | 100.8 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -36 | -177.3 | 172.6 | 0 | 0 | 0 | 0 | 112 | H94 | H94-V98 VanDerWaalsContact O-CG2 3.31Å; H94-V98 WeakPolarHBondContact O-CG2 3.28Å; H94-V98 PolarHBondContact O-N 2.94Å |
| 99 | R | 81.8 | Confident | 82.6 | Confident | 192 Ų | 192 | 103.3 Ų | 103.3 | 73% | 0.725 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73.7 | -46.1 | 177.7 | -174.9 | 174.3 | 176.2 | -171.7 | -1.5 | 111.7 | P95 L96 L97 | P95-R99 WeakPolarHBondContact O-CB 3.33Å; P95-R99 PolarHBondContact O-N 3.05Å; L96-R99 PolarHBondContact O-N 3.11Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.67Å |
| 100 | H | 84.3 | Confident | 83.6 | Confident | 68 Ų | 68 | 105 Ų | 105 | 32% | 0.315 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -85.5 | -11.5 | -175.4 | -65.9 | 74.2 | 0 | 0 | 0 | 112.8 | L96 L97 K102 D103 I104 | L96-H100 WeakPolarHBondContact CD1-CE1 3.39Å; L96-H100 WeakPolarHBondContact CD1-ND1 3.44Å; L96-H100 WeakPolarHBondContact O-CB 3.01Å; L96-H100 PolarHBondContact O-N 2.77Å; L96-H100 PolarHBondContact O-ND1 3.42Å; L97-H100 CarbonylContact O-C 3.59Å; L97-H100 PolarHBondContact O-N 3.28Å; H100-K102 VanDerWaalsContact C-N 3.3Å; H100-K102 PolarHBondContact O-N 2.82Å; H100-D103 CarbonylContact O-C 3.6Å; H100-D103 PolarHBondContact O-N 2.77Å; H100-I104 HydrophobicContact CB-CD1 3.83Å; H100-I104 HydrophobicContact CB-CG1 4.14Å; H100-I104 WeakPolarHBondContact O-CB 3.21Å; H100-I104 WeakPolarHBondContact O-CD1 3.19Å; H100-I104 WeakPolarHBondContact O-CG1 3.18Å; H100-I104 PolarHBondContact O-N 3.12Å |
| 101 | E | 84.5 | Confident | 84.5 | Confident | 115 Ų | 115 | 98.1 Ų | 98.1 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.2 | -47.7 | 178.6 | 177.3 | 178.5 | -164.1 | 0 | 0 | 110.5 | L97 I104 D105 | L97-E101 WeakPolarHBondContact O-CA 3.47Å; L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 PolarHBondContact O-N 3.38Å; E101-I104 PolarHBondContact O-N 3.32Å; E101-D105 WeakPolarHBondContact O-CB 3.46Å; E101-D105 PolarHBondContact O-N 2.94Å |
| 102 | K | 86.3 | Confident | 85.3 | Confident | 145 Ų | 145 | 99.2 Ų | 99.2 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 175.3 | -63.4 | -168.2 | -179.4 | 70 | 0 | 111.9 | H100 I104 D105 D106 | H100-K102 VanDerWaalsContact C-N 3.3Å; H100-K102 PolarHBondContact O-N 2.82Å; K102-I104 PolarHBondContact O-N 3.44Å; K102-D105 PolarHBondContact O-N 2.87Å; K102-D106 WeakPolarHBondContact O-CB 3.28Å; K102-D106 PolarHBondContact O-N 3.25Å |
| 103 | D | 87.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 36% | 0.358 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -47 | 179.6 | -62.2 | -29.6 | 0 | 0 | 0 | 110.4 | H100 D105 D106 Y107 | H100-D103 CarbonylContact O-C 3.6Å; H100-D103 PolarHBondContact O-N 2.77Å; D103-D105 VanDerWaalsContact C-N 3.35Å; D103-D105 PolarHBondContact O-N 3.31Å; D103-D106 PolarHBondContact O-N 3.43Å; D103-Y107 HydrophobicContact CB-CD2 4.16Å; D103-Y107 HydrophobicContact CB-CE2 4.16Å; D103-Y107 VanDerWaalsContact O-CB 3.26Å; D103-Y107 WeakPolarHBondContact O-CB 3.48Å; D103-Y107 WeakPolarHBondContact O-CD2 3Å; D103-Y107 PolarHBondContact O-N 3.46Å |
| 104 | I | 86.2 | Confident | 86.8 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 178.5 | -68 | 163.7 | 0 | 0 | 0 | 110 | H100 E101 K102 Y107 L108 | H100-I104 HydrophobicContact CB-CD1 3.83Å; H100-I104 HydrophobicContact CB-CG1 4.14Å; H100-I104 WeakPolarHBondContact O-CB 3.21Å; H100-I104 WeakPolarHBondContact O-CD1 3.19Å; H100-I104 WeakPolarHBondContact O-CG1 3.18Å; H100-I104 PolarHBondContact O-N 3.12Å; E101-I104 PolarHBondContact O-N 3.32Å; K102-I104 PolarHBondContact O-N 3.44Å; I104-Y107 PolarHBondContact O-N 2.83Å; I104-L108 WeakPolarHBondContact O-CA 3.46Å; I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 3.34Å |
| 105 | D | 90.3 | Very high | 87.5 | Confident | 82 Ų | 82 | 101.6 Ų | 101.6 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.9 | -80.2 | -12.9 | 0 | 0 | 0 | 111.2 | E101 K102 D103 L108 I109 | E101-D105 WeakPolarHBondContact O-CB 3.46Å; E101-D105 PolarHBondContact O-N 2.94Å; K102-D105 PolarHBondContact O-N 2.87Å; D103-D105 VanDerWaalsContact C-N 3.35Å; D103-D105 PolarHBondContact O-N 3.31Å; D105-L108 PolarHBondContact O-N 3.33Å; D105-I109 WeakPolarHBondContact O-CB 3.11Å; D105-I109 WeakPolarHBondContact O-CD1 3.48Å; D105-I109 WeakPolarHBondContact O-CG1 3.23Å; D105-I109 PolarHBondContact O-N 2.98Å |
| 106 | D | 91.6 | Very high | 88.1 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 176.6 | -76.1 | -23.3 | 0 | 0 | 0 | 111.5 | K102 D103 L108 I109 Q110 | K102-D106 WeakPolarHBondContact O-CB 3.28Å; K102-D106 PolarHBondContact O-N 3.25Å; D103-D106 PolarHBondContact O-N 3.43Å; D106-L108 VanDerWaalsContact C-N 3.33Å; D106-L108 PolarHBondContact O-N 3.27Å; D106-I109 PolarHBondContact O-N 3.45Å; D106-Q110 WeakPolarHBondContact O-CB 3.31Å; D106-Q110 PolarHBondContact O-N 3.49Å |
| 107 | Y | 89.2 | Confident | 88.8 | Confident | 158 Ų | 158 | 106.5 Ų | 106.5 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -38.8 | 174.3 | -82.2 | -62.7 | 0 | 0 | 0 | 111.5 | D103 I104 Q110 A111 | D103-Y107 HydrophobicContact CB-CD2 4.16Å; D103-Y107 HydrophobicContact CB-CE2 4.16Å; D103-Y107 VanDerWaalsContact O-CB 3.26Å; D103-Y107 WeakPolarHBondContact O-CB 3.48Å; D103-Y107 WeakPolarHBondContact O-CD2 3Å; D103-Y107 PolarHBondContact O-N 3.46Å; I104-Y107 PolarHBondContact O-N 2.83Å; Y107-Q110 PolarHBondContact O-N 2.81Å; Y107-A111 WeakPolarHBondContact O-CA 3.07Å; Y107-A111 WeakPolarHBondContact O-CB 3.32Å; Y107-A111 PolarHBondContact O-N 3.43Å |
| 108 | L | 91.4 | Very high | 89.5 | Confident | 109 Ų | 109 | 105.6 Ų | 105.6 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -41.1 | 178.7 | -178.3 | 65.4 | 0 | 0 | 0 | 110.6 | I104 D105 D106 Q110 K112 | I104-L108 WeakPolarHBondContact O-CA 3.46Å; I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 3.34Å; D105-L108 PolarHBondContact O-N 3.33Å; D106-L108 VanDerWaalsContact C-N 3.33Å; D106-L108 PolarHBondContact O-N 3.27Å; L108-Q110 VanDerWaalsContact C-N 3.34Å; L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.21Å |
| 109 | I | 92.6 | Very high | 90.1 | Very high | 88 Ų | 88 | 107.6 Ų | 107.6 | 45% | 0.451 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 174.3 | -69.5 | 164.3 | 0 | 0 | 0 | 109.8 | D105 D106 K113 | D105-I109 WeakPolarHBondContact O-CB 3.11Å; D105-I109 WeakPolarHBondContact O-CD1 3.48Å; D105-I109 WeakPolarHBondContact O-CG1 3.23Å; D105-I109 PolarHBondContact O-N 2.98Å; D106-I109 PolarHBondContact O-N 3.45Å; I109-K113 HydrophobicContact CG2-CD 4.28Å; I109-K113 VanDerWaalsContact O-CG 3.28Å; I109-K113 WeakPolarHBondContact O-CG 3.18Å; I109-K113 PolarHBondContact O-N 3.21Å |
| 110 | Q | 92.7 | Very high | 90.7 | Very high | 102 Ų | 102 | 101.7 Ų | 101.7 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 177.9 | -172 | 176.5 | 54.3 | 0 | 0 | 111.9 | D106 Y107 L108 K112 K113 H114 | D106-Q110 WeakPolarHBondContact O-CB 3.31Å; D106-Q110 PolarHBondContact O-N 3.49Å; Y107-Q110 PolarHBondContact O-N 2.81Å; L108-Q110 VanDerWaalsContact C-N 3.34Å; Q110-K112 VanDerWaalsContact C-N 3.32Å; Q110-K112 PolarHBondContact O-N 2.79Å; Q110-K113 WeakPolarHBondContact O-CB 3.42Å; Q110-K113 PolarHBondContact O-N 3.37Å; Q110-H114 PolarHBondContact O-N 2.99Å |
| 111 | A | 93.8 | Very high | 90.9 | Very high | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y107 G115 | Y107-A111 WeakPolarHBondContact O-CA 3.07Å; Y107-A111 WeakPolarHBondContact O-CB 3.32Å; Y107-A111 PolarHBondContact O-N 3.43Å; A111-G115 VanDerWaalsContact O-CA 3.32Å; A111-G115 WeakPolarHBondContact O-CA 3.47Å; A111-G115 PolarHBondContact O-N 3.33Å |
| 112 | K | 93.5 | Very high | 91.2 | Very high | 160 Ų | 160 | 99.4 Ų | 99.4 | 70% | 0.696 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 173.4 | -176.3 | 176.8 | -177.4 | 179.2 | 0 | 111.3 | L108 Q110 Y116 | L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.21Å; Q110-K112 VanDerWaalsContact C-N 3.32Å; Q110-K112 PolarHBondContact O-N 2.79Å; K112-Y116 WeakPolarHBondContact O-CB 3.3Å; K112-Y116 PolarHBondContact O-N 2.91Å |
| 113 | K | 93.2 | Very high | 91.5 | Very high | 138 Ų | 138 | 94.6 Ų | 94.6 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -50.7 | 175.2 | -74.2 | 170.6 | -178.2 | 175 | 0 | 111.2 | I109 Q110 Y116 T117 | I109-K113 HydrophobicContact CG2-CD 4.28Å; I109-K113 VanDerWaalsContact O-CG 3.28Å; I109-K113 WeakPolarHBondContact O-CG 3.18Å; I109-K113 PolarHBondContact O-N 3.21Å; Q110-K113 WeakPolarHBondContact O-CB 3.42Å; Q110-K113 PolarHBondContact O-N 3.37Å; K113-Y116 PolarHBondContact O-N 3.45Å; K113-T117 PolarHBondContact O-N 3.01Å |
| 114 | H | 90.4 | Very high | 91.7 | Very high | 123 Ų | 123 | 94.2 Ų | 94.2 | 57% | 0.569 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 177.3 | -72.6 | -0.1 | 0 | 0 | 0 | 112 | Q110 Y116 T117 A118 | Q110-H114 PolarHBondContact O-N 2.99Å; H114-Y116 PolarHBondContact O-N 3.29Å; H114-T117 PolarHBondContact O-N 3.32Å; H114-T117 PolarHBondContact O-OG1 3.19Å; H114-A118 PolarHBondContact O-N 3.37Å |
| 115 | G | 91.8 | Very high | 91.8 | Very high | 27 Ų | 27 | 98.4 Ų | 98.4 | 28% | 0.278 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A111 T117 A118 I119 | A111-G115 VanDerWaalsContact O-CA 3.32Å; A111-G115 WeakPolarHBondContact O-CA 3.47Å; A111-G115 PolarHBondContact O-N 3.33Å; G115-T117 PolarHBondContact O-N 3.46Å; G115-A118 PolarHBondContact O-N 2.91Å; G115-I119 WeakPolarHBondContact O-CB 3.38Å; G115-I119 VanDerWaalsContact O-CG1 3.23Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 2.96Å |
| 116 | Y | 94.2 | Very high | 91.8 | Very high | 161 Ų | 161 | 96.5 Ų | 96.5 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.5 | -46.8 | 175.7 | -174.4 | -95.6 | 0 | 0 | 0 | 110.9 | K112 K113 H114 A118 I119 V120 | K112-Y116 WeakPolarHBondContact O-CB 3.3Å; K112-Y116 PolarHBondContact O-N 2.91Å; K113-Y116 PolarHBondContact O-N 3.45Å; H114-Y116 PolarHBondContact O-N 3.29Å; Y116-A118 VanDerWaalsContact C-N 3.33Å; Y116-A118 PolarHBondContact O-N 3.07Å; Y116-I119 PolarHBondContact O-N 3.38Å; Y116-V120 HydrophobicContact CD1-CG1 4.19Å; Y116-V120 HydrophobicContact CE1-CG1 3.83Å; Y116-V120 HydrophobicContact CE2-CG1 4.21Å; Y116-V120 WeakPolarHBondContact O-CG1 3.4Å; Y116-V120 VanDerWaalsContact O-CG2 3.29Å; Y116-V120 WeakPolarHBondContact O-CG2 3.49Å; Y116-V120 PolarHBondContact O-N 2.84Å |
| 117 | T | 90.1 | Very high | 91.7 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -37.3 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | K113 H114 G115 V120 G121 | K113-T117 PolarHBondContact O-N 3.01Å; H114-T117 PolarHBondContact O-N 3.32Å; H114-T117 PolarHBondContact O-OG1 3.19Å; G115-T117 PolarHBondContact O-N 3.46Å; T117-V120 WeakPolarHBondContact O-CG2 3.23Å; T117-G121 PolarHBondContact O-N 3.4Å |
| 118 | A | 93 | Very high | 91.6 | Very high | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H114 G115 Y116 G121 L122 | H114-A118 PolarHBondContact O-N 3.37Å; G115-A118 PolarHBondContact O-N 2.91Å; Y116-A118 VanDerWaalsContact C-N 3.33Å; Y116-A118 PolarHBondContact O-N 3.07Å; A118-G121 PolarHBondContact O-N 3.49Å; A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 VanDerWaalsContact O-CG 3.3Å; A118-L122 WeakPolarHBondContact O-CG 3.41Å; A118-L122 PolarHBondContact O-N 2.85Å |
| 119 | I | 93.7 | Very high | 91.5 | Very high | 120 Ų | 120 | 99.3 Ų | 99.3 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -45.3 | 179.6 | -69.1 | 166.9 | 0 | 0 | 0 | 110.9 | G115 Y116 G121 L122 G123 | G115-I119 WeakPolarHBondContact O-CB 3.38Å; G115-I119 VanDerWaalsContact O-CG1 3.23Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 2.96Å; Y116-I119 PolarHBondContact O-N 3.38Å; I119-G121 VanDerWaalsContact C-N 3.29Å; I119-G121 PolarHBondContact O-N 2.78Å; I119-L122 PolarHBondContact O-N 3.46Å; I119-G123 PolarHBondContact O-N 3.01Å |
| 120 | V | 94 | Very high | 91.5 | Very high | 67 Ų | 67 | 97 Ų | 97 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -31.4 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | Y116 T117 S124 | Y116-V120 HydrophobicContact CD1-CG1 4.19Å; Y116-V120 HydrophobicContact CE1-CG1 3.83Å; Y116-V120 HydrophobicContact CE2-CG1 4.21Å; Y116-V120 WeakPolarHBondContact O-CG1 3.4Å; Y116-V120 VanDerWaalsContact O-CG2 3.29Å; Y116-V120 WeakPolarHBondContact O-CG2 3.49Å; Y116-V120 PolarHBondContact O-N 2.84Å; T117-V120 WeakPolarHBondContact O-CG2 3.23Å; V120-S124 WeakPolarHBondContact O-CB 3.32Å; V120-S124 PolarHBondContact O-N 2.79Å; V120-S124 PolarHBondContact O-OG 3.03Å |
| 121 | G | 90.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 99.9 Ų | 99.9 | 23% | 0.227 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T117 A118 I119 S124 R125 | T117-G121 PolarHBondContact O-N 3.4Å; A118-G121 PolarHBondContact O-N 3.49Å; I119-G121 VanDerWaalsContact C-N 3.29Å; I119-G121 PolarHBondContact O-N 2.78Å; G121-S124 WeakPolarHBondContact CA-OG 3.29Å; G121-S124 PolarHBondContact O-OG 3.41Å; G121-R125 WeakPolarHBondContact O-CB 3.24Å; G121-R125 VanDerWaalsContact O-CG 3.24Å; G121-R125 WeakPolarHBondContact O-CG 3.43Å; G121-R125 PolarHBondContact O-N 2.96Å |
| 122 | L | 90.9 | Very high | 91.1 | Very high | 113 Ų | 113 | 103.7 Ų | 103.7 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 174.1 | -75.2 | 167.6 | 0 | 0 | 0 | 111.7 | A118 I119 R125 G126 | A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 VanDerWaalsContact O-CG 3.3Å; A118-L122 WeakPolarHBondContact O-CG 3.41Å; A118-L122 PolarHBondContact O-N 2.85Å; I119-L122 PolarHBondContact O-N 3.46Å; L122-R125 PolarHBondContact O-N 3.38Å; L122-G126 PolarHBondContact O-N 3.28Å |
| 123 | G | 92.4 | Very high | 90.9 | Very high | 45 Ų | 45 | 100.6 Ų | 100.6 | 46% | 0.464 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I119 G126 F127 | I119-G123 PolarHBondContact O-N 3.01Å; G123-G126 PolarHBondContact O-N 3.48Å; G123-F127 PolarHBondContact O-N 3.35Å |
| 124 | S | 91.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 98.3 Ų | 98.3 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | V120 G121 G126 F127 M128 | V120-S124 WeakPolarHBondContact O-CB 3.32Å; V120-S124 PolarHBondContact O-N 2.79Å; V120-S124 PolarHBondContact O-OG 3.03Å; G121-S124 WeakPolarHBondContact CA-OG 3.29Å; G121-S124 PolarHBondContact O-OG 3.41Å; S124-G126 VanDerWaalsContact C-N 3.35Å; S124-G126 PolarHBondContact O-N 2.97Å; S124-F127 PolarHBondContact O-N 3.28Å; S124-M128 WeakPolarHBondContact O-CB 3.42Å; S124-M128 WeakPolarHBondContact O-CG 3.45Å; S124-M128 PolarHBondContact O-N 3.39Å |
| 125 | R | 86.9 | Confident | 90.7 | Very high | 184 Ų | 184 | 94.6 Ų | 94.6 | 69% | 0.694 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.5 | -43.2 | 171.1 | -75.4 | 172.8 | -176.6 | 176.9 | 1.7 | 112.1 | G121 L122 M128 Y129 | G121-R125 WeakPolarHBondContact O-CB 3.24Å; G121-R125 VanDerWaalsContact O-CG 3.24Å; G121-R125 WeakPolarHBondContact O-CG 3.43Å; G121-R125 PolarHBondContact O-N 2.96Å; L122-R125 PolarHBondContact O-N 3.38Å; R125-M128 PolarHBondContact O-N 3.11Å; R125-Y129 PolarHBondContact O-N 2.81Å |
| 126 | G | 90.6 | Very high | 90.4 | Very high | 43 Ų | 43 | 95.7 Ų | 95.7 | 44% | 0.443 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L122 G123 S124 Y129 A130 | L122-G126 PolarHBondContact O-N 3.28Å; G123-G126 PolarHBondContact O-N 3.48Å; S124-G126 VanDerWaalsContact C-N 3.35Å; S124-G126 PolarHBondContact O-N 2.97Å; G126-Y129 PolarHBondContact O-N 3.31Å; G126-A130 WeakPolarHBondContact O-CB 3.17Å; G126-A130 PolarHBondContact O-N 2.8Å |
| 127 | F | 89.7 | Confident | 90.1 | Very high | 145 Ų | 145 | 90.7 Ų | 90.7 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -39.2 | 176.1 | -177.4 | -98.7 | 0 | 0 | 0 | 112.7 | G123 S124 A130 R131 | G123-F127 PolarHBondContact O-N 3.35Å; S124-F127 PolarHBondContact O-N 3.28Å; F127-A130 CarbonylContact O-C 3.59Å; F127-A130 PolarHBondContact O-N 2.93Å; F127-R131 WeakPolarHBondContact O-CB 3.41Å; F127-R131 PolarHBondContact O-N 3.04Å |
| 128 | M | 87.8 | Confident | 89.9 | Confident | 110 Ų | 110 | 88.5 Ų | 88.5 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 178.3 | -69.6 | -65.1 | 179.9 | 0 | 0 | 112.2 | S124 R125 R131 | S124-M128 WeakPolarHBondContact O-CB 3.42Å; S124-M128 WeakPolarHBondContact O-CG 3.45Å; S124-M128 PolarHBondContact O-N 3.39Å; R125-M128 PolarHBondContact O-N 3.11Å; M128-R131 WeakPolarHBondContact O-CB 3.44Å; M128-R131 PolarHBondContact O-N 3.46Å |
| 129 | Y | 89.4 | Confident | 89.6 | Confident | 178 Ų | 178 | 90.3 Ų | 90.3 | 70% | 0.698 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 172.8 | -177.3 | -100.6 | 0 | 0 | 0 | 111.4 | R125 G126 R131 E132 I133 | R125-Y129 PolarHBondContact O-N 2.81Å; G126-Y129 PolarHBondContact O-N 3.31Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.25Å; Y129-E132 PolarHBondContact O-N 2.76Å; Y129-I133 HydrophobicContact CD1-CD1 4.13Å; Y129-I133 HydrophobicContact CE1-CD1 3.66Å |
| 130 | A | 92 | Very high | 89.1 | Confident | 40 Ų | 40 | 92 Ų | 92 | 33% | 0.331 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -32.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G126 F127 E132 I133 V134 | G126-A130 WeakPolarHBondContact O-CB 3.17Å; G126-A130 PolarHBondContact O-N 2.8Å; F127-A130 CarbonylContact O-C 3.59Å; F127-A130 PolarHBondContact O-N 2.93Å; A130-E132 PolarHBondContact O-N 3.44Å; A130-I133 PolarHBondContact O-N 3.02Å; A130-V134 WeakPolarHBondContact O-CB 3.12Å; A130-V134 VanDerWaalsContact O-CG2 3.24Å; A130-V134 WeakPolarHBondContact O-CG2 3.34Å; A130-V134 PolarHBondContact O-N 2.77Å |
| 131 | R | 91.2 | Very high | 88.5 | Confident | 161 Ų | 161 | 89.9 Ų | 89.9 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.8 | -38.2 | -179.6 | -176.1 | -178.6 | 175.1 | -175.7 | -1.4 | 112 | F127 M128 Y129 A135 | F127-R131 WeakPolarHBondContact O-CB 3.41Å; F127-R131 PolarHBondContact O-N 3.04Å; M128-R131 WeakPolarHBondContact O-CB 3.44Å; M128-R131 PolarHBondContact O-N 3.46Å; Y129-R131 VanDerWaalsContact C-N 3.31Å; Y129-R131 PolarHBondContact O-N 3.25Å; R131-A135 WeakPolarHBondContact O-CB 3.11Å; R131-A135 PolarHBondContact O-N 3.49Å |
| 132 | E | 86.2 | Confident | 87.9 | Confident | 139 Ų | 139 | 94.8 Ų | 94.8 | 65% | 0.65 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.2 | -43.5 | 178.8 | -173.4 | 58.3 | -155 | 0 | 0 | 111.9 | Y129 A130 V134 A135 S136 | Y129-E132 PolarHBondContact O-N 2.76Å; A130-E132 PolarHBondContact O-N 3.44Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.9Å; E132-A135 PolarHBondContact O-N 2.88Å; E132-S136 WeakPolarHBondContact O-CB 3.48Å; E132-S136 PolarHBondContact O-N 3.05Å; E132-S136 PolarHBondContact O-OG 3.43Å |
| 133 | I | 90.7 | Very high | 87.2 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.1 | -61 | 175.9 | 0 | 0 | 0 | 110 | Y129 A130 S136 A137 | Y129-I133 HydrophobicContact CD1-CD1 4.13Å; Y129-I133 HydrophobicContact CE1-CD1 3.66Å; A130-I133 PolarHBondContact O-N 3.02Å; I133-S136 PolarHBondContact O-OG 3.39Å; I133-S136 VanDerWaalsContact O-OG 3.05Å; I133-A137 WeakPolarHBondContact O-CB 3.24Å; I133-A137 PolarHBondContact O-N 3.48Å |
| 134 | V | 90.6 | Very high | 86.4 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.9 | -39.7 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A130 E132 A137 A138 | A130-V134 WeakPolarHBondContact O-CB 3.12Å; A130-V134 VanDerWaalsContact O-CG2 3.24Å; A130-V134 WeakPolarHBondContact O-CG2 3.34Å; A130-V134 PolarHBondContact O-N 2.77Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.9Å; V134-A137 CarbonylContact O-C 3.53Å; V134-A137 PolarHBondContact O-N 2.99Å; V134-A138 WeakPolarHBondContact O-CA 3.32Å; V134-A138 WeakPolarHBondContact O-CB 3.11Å; V134-A138 PolarHBondContact O-N 2.7Å |
| 135 | A | 89.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 101.1 Ų | 101.1 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R131 E132 A138 V139 | R131-A135 WeakPolarHBondContact O-CB 3.11Å; R131-A135 PolarHBondContact O-N 3.49Å; E132-A135 PolarHBondContact O-N 2.88Å; A135-A138 PolarHBondContact O-N 3.18Å; A135-V139 VanDerWaalsContact O-CG2 3.32Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 2.98Å |
| 136 | S | 85.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 96.4 Ų | 96.4 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | E132 I133 K140 | E132-S136 WeakPolarHBondContact O-CB 3.48Å; E132-S136 PolarHBondContact O-N 3.05Å; E132-S136 PolarHBondContact O-OG 3.43Å; I133-S136 PolarHBondContact O-OG 3.39Å; I133-S136 VanDerWaalsContact O-OG 3.05Å; S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 VanDerWaalsContact O-CG 3.32Å; S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 3.37Å |
| 137 | A | 87 | Confident | 84.3 | Confident | 55 Ų | 55 | 99.3 Ų | 99.3 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.2 | -33.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I133 V134 G141 | I133-A137 WeakPolarHBondContact O-CB 3.24Å; I133-A137 PolarHBondContact O-N 3.48Å; V134-A137 CarbonylContact O-C 3.53Å; V134-A137 PolarHBondContact O-N 2.99Å; A137-G141 VanDerWaalsContact O-CA 3.28Å; A137-G141 WeakPolarHBondContact O-CA 3.28Å; A137-G141 PolarHBondContact O-N 2.73Å |
| 138 | A | 86.5 | Confident | 83.5 | Confident | 45 Ų | 45 | 97.3 Ų | 97.3 | 37% | 0.372 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V134 A135 G141 Q142 | V134-A138 WeakPolarHBondContact O-CA 3.32Å; V134-A138 WeakPolarHBondContact O-CB 3.11Å; V134-A138 PolarHBondContact O-N 2.7Å; A135-A138 PolarHBondContact O-N 3.18Å; A138-G141 PolarHBondContact O-N 3.37Å; A138-Q142 VanDerWaalsContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CG 3.24Å; A138-Q142 PolarHBondContact O-N 3.48Å; A138-Q142 PolarHBondContact O-OE1 3.36Å |
| 139 | V | 86 | Confident | 82.7 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | A135 L143 | A135-V139 VanDerWaalsContact O-CG2 3.32Å; A135-V139 WeakPolarHBondContact O-CG2 3.43Å; A135-V139 PolarHBondContact O-N 2.98Å; V139-L143 PolarHBondContact O-N 2.7Å |
| 140 | K | 83.5 | Confident | 81.5 | Confident | 156 Ų | 156 | 98 Ų | 98 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -40.8 | 175.6 | -72.5 | 175.8 | -178.6 | 178.2 | 0 | 112.1 | S136 L143 H144 | S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 VanDerWaalsContact O-CG 3.32Å; S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 3.37Å; K140-L143 WeakPolarHBondContact O-CB 3.19Å; K140-L143 PolarHBondContact O-N 2.84Å; K140-H144 PolarHBondContact O-N 3.33Å |
| 141 | G | 80.5 | Confident | 80.1 | Confident | 21 Ų | 21 | 104 Ų | 104 | 22% | 0.216 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A137 A138 L143 H144 L145 | A137-G141 VanDerWaalsContact O-CA 3.28Å; A137-G141 WeakPolarHBondContact O-CA 3.28Å; A137-G141 PolarHBondContact O-N 2.73Å; A138-G141 PolarHBondContact O-N 3.37Å; G141-L143 VanDerWaalsContact C-N 3.28Å; G141-L143 PolarHBondContact O-N 3.49Å; G141-H144 CarbonylContact O-C 3.49Å; G141-H144 PolarHBondContact O-N 2.71Å; G141-H144 VanDerWaalsContact O-N 3.09Å; G141-L145 WeakPolarHBondContact O-CB 3.32Å; G141-L145 WeakPolarHBondContact O-CG 3.2Å; G141-L145 PolarHBondContact O-N 3.47Å |
| 142 | Q | 77.7 | Confident | 78.8 | Confident | 126 Ų | 126 | 100.3 Ų | 100.3 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.5 | -36.4 | 174.8 | -81.4 | 173.1 | -70.3 | 0 | 0 | 111.7 | A138 H144 V146 | A138-Q142 VanDerWaalsContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CB 3.26Å; A138-Q142 WeakPolarHBondContact O-CG 3.24Å; A138-Q142 PolarHBondContact O-N 3.48Å; A138-Q142 PolarHBondContact O-OE1 3.36Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.3Å; Q142-V146 WeakPolarHBondContact O-CB 3.19Å; Q142-V146 VanDerWaalsContact O-CG1 3.24Å; Q142-V146 WeakPolarHBondContact O-CG1 3.48Å; Q142-V146 PolarHBondContact O-N 3.41Å |
| 143 | L | 77 | Confident | 77.7 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 67% | 0.67 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 173.5 | -100.6 | 151.1 | 0 | 0 | 0 | 112.6 | V139 K140 G141 | V139-L143 PolarHBondContact O-N 2.7Å; K140-L143 WeakPolarHBondContact O-CB 3.19Å; K140-L143 PolarHBondContact O-N 2.84Å; G141-L143 VanDerWaalsContact C-N 3.28Å; G141-L143 PolarHBondContact O-N 3.49Å |
| 144 | H | 76.1 | Confident | 75.9 | Confident | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -82.5 | -40.2 | 179.1 | -167.2 | -41.1 | 0 | 0 | 0 | 112.5 | K140 G141 Q142 N147 Q148 | K140-H144 PolarHBondContact O-N 3.33Å; G141-H144 CarbonylContact O-C 3.49Å; G141-H144 PolarHBondContact O-N 2.71Å; G141-H144 VanDerWaalsContact O-N 3.09Å; Q142-H144 VanDerWaalsContact C-N 3.34Å; Q142-H144 PolarHBondContact O-N 3.3Å; H144-N147 PolarHBondContact O-N 2.7Å; H144-Q148 PolarHBondContact O-N 3.09Å; H144-Q148 VanDerWaalsContact O-N 3.1Å |
| 145 | L | 76.1 | Confident | 73.6 | Confident | 96 Ų | 96 | 105.2 Ų | 105.2 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.9 | -29.5 | -179.3 | -72.8 | 168.4 | 0 | 0 | 0 | 111.9 | G141 N147 Q148 L149 | G141-L145 WeakPolarHBondContact O-CB 3.32Å; G141-L145 WeakPolarHBondContact O-CG 3.2Å; G141-L145 PolarHBondContact O-N 3.47Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.46Å; L145-Q148 PolarHBondContact O-N 3.1Å; L145-L149 WeakPolarHBondContact O-CA 3.46Å; L145-L149 WeakPolarHBondContact O-CB 3.25Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3Å; L145-L149 PolarHBondContact O-N 3.32Å |
| 146 | V | 75.3 | Confident | 72.1 | Confident | 86 Ų | 86 | 106.8 Ų | 106.8 | 52% | 0.521 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -35.7 | 173.6 | 74.6 | 0 | 0 | 0 | 0 | 111.1 | Q142 R150 | Q142-V146 WeakPolarHBondContact O-CB 3.19Å; Q142-V146 VanDerWaalsContact O-CG1 3.24Å; Q142-V146 WeakPolarHBondContact O-CG1 3.48Å; Q142-V146 PolarHBondContact O-N 3.41Å; V146-R150 WeakPolarHBondContact O-CB 3.09Å; V146-R150 PolarHBondContact O-N 3.35Å |
| 147 | N | 72.8 | Confident | 70.5 | Confident | 103 Ų | 103 | 111.8 Ų | 111.8 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.8 | -38.3 | 174.5 | -88.6 | -8.6 | 0 | 0 | 0 | 111.9 | H144 L145 K151 | H144-N147 PolarHBondContact O-N 2.7Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.46Å; N147-K151 WeakPolarHBondContact O-CB 3.32Å; N147-K151 PolarHBondContact O-N 3.33Å |
| 148 | Q | 73.4 | Confident | 68.3 | Low | 103 Ų | 103 | 115.7 Ų | 115.7 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.2 | -41 | 174.3 | -79.1 | -148.7 | -38.4 | 0 | 0 | 113.1 | H144 L145 R150 K151 S152 | H144-Q148 PolarHBondContact O-N 3.09Å; H144-Q148 VanDerWaalsContact O-N 3.1Å; L145-Q148 PolarHBondContact O-N 3.1Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; Q148-K151 CarbonylContact O-C 3.46Å; Q148-K151 WeakPolarHBondContact O-CA 3.15Å; Q148-K151 PolarHBondContact O-N 3.35Å; Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.83Å; Q148-S152 PolarHBondContact O-OG 2.67Å; Q148-S152 VanDerWaalsContact O-OG 3.12Å |
| 149 | L | 69.5 | Low | 66.6 | Low | 112 Ų | 112 | 119.8 Ų | 119.8 | 59% | 0.586 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.2 | -42.8 | 170.2 | -79.2 | 163.2 | 0 | 0 | 0 | 110.1 | L145 K151 S152 Y153 | L145-L149 WeakPolarHBondContact O-CA 3.46Å; L145-L149 WeakPolarHBondContact O-CB 3.25Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3Å; L145-L149 PolarHBondContact O-N 3.32Å; L149-K151 PolarHBondContact O-N 3.44Å; L149-S152 PolarHBondContact O-N 2.67Å; L149-Y153 WeakPolarHBondContact O-CA 3.35Å; L149-Y153 WeakPolarHBondContact O-CB 3.38Å; L149-Y153 PolarHBondContact O-N 3.05Å |
| 150 | R | 66 | Low | 64.8 | Low | 190 Ų | 190 | 126 Ų | 126 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59 | -35.8 | 172.1 | 176.9 | 177.4 | -97.7 | 179.1 | -7.8 | 111.9 | V146 Q148 S154 | V146-R150 WeakPolarHBondContact O-CB 3.09Å; V146-R150 PolarHBondContact O-N 3.35Å; Q148-R150 VanDerWaalsContact C-N 3.33Å; R150-S154 WeakPolarHBondContact O-CB 3.43Å |
| 151 | K | 62.4 | Low | 62.9 | Low | 166 Ų | 166 | 125.4 Ų | 125.4 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.5 | -33.4 | 178.3 | -162.2 | 174.6 | -176.3 | -178.5 | 0 | 113.5 | N147 Q148 L149 S154 | N147-K151 WeakPolarHBondContact O-CB 3.32Å; N147-K151 PolarHBondContact O-N 3.33Å; Q148-K151 CarbonylContact O-C 3.46Å; Q148-K151 WeakPolarHBondContact O-CA 3.15Å; Q148-K151 PolarHBondContact O-N 3.35Å; L149-K151 PolarHBondContact O-N 3.44Å; K151-S154 CarbonylContact O-C 3.51Å; K151-S154 PolarHBondContact O-N 3.12Å |
| 152 | S | 64 | Low | 61 | Low | 85 Ų | 85 | 132 Ų | 132 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -87.7 | -29.5 | -178.9 | -66.3 | 0 | 0 | 0 | 0 | 112.8 | Q148 L149 S154 | Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.47Å; Q148-S152 PolarHBondContact O-N 2.83Å; Q148-S152 PolarHBondContact O-OG 2.67Å; Q148-S152 VanDerWaalsContact O-OG 3.12Å; L149-S152 PolarHBondContact O-N 2.67Å; S152-S154 PolarHBondContact O-N 2.96Å |
| 153 | Y | 61.2 | Low | 59.3 | Low | 214 Ų | 214 | 134.4 Ų | 134.4 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -71.5 | -12.5 | 165.9 | -155.5 | -93.8 | 0 | 0 | 0 | 111.3 | L149 | L149-Y153 WeakPolarHBondContact O-CA 3.35Å; L149-Y153 WeakPolarHBondContact O-CB 3.38Å; L149-Y153 PolarHBondContact O-N 3.05Å |
| 154 | S | 53.5 | Low | 57.4 | Low | 83 Ų | 83 | 135 Ų | 135 | 58% | 0.58 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.3 | 66.5 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | R150 K151 S152 | R150-S154 WeakPolarHBondContact O-CB 3.43Å; K151-S154 CarbonylContact O-C 3.51Å; K151-S154 PolarHBondContact O-N 3.12Å; S152-S154 PolarHBondContact O-N 2.96Å |
| 155 | V | 43.7 | Very low | 55.5 | Low | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -159.7 | 110.4 | 142.7 | -88.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 156 | G | 56.4 | Low | 53.5 | Low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | 93.5 | 65.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 157 | D | 51.7 | Low | 51.8 | Low | 155 Ų | 155 | 140.2 Ų | 140.2 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -134.1 | 131.3 | 137.3 | -127.8 | -34.6 | 0 | 0 | 0 | 107 | ||
| 158 | L | 40.7 | Very low | 49.9 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 87.4 | 54.6 | -171.5 | -51.5 | 155.7 | 0 | 0 | 0 | 117 | ||
| 159 | S | 51.5 | Low | 48.2 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 92% | 0.923 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -135.9 | 9.7 | 142.5 | -69.5 | 0 | 0 | 0 | 0 | 113 | ||
| 160 | R | 48.2 | Very low | 46.8 | Very low | 220 Ų | 220 | 147.4 Ų | 147.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -125.6 | 115.3 | 171 | -151.7 | 168.4 | 160.9 | 131.7 | -2.2 | 104.5 | ||
| 161 | D | 44.2 | Very low | 45.4 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 89.2 | 47 | 178.3 | -50.2 | -27.6 | 0 | 0 | 0 | 118.7 | ||
| 162 | Q | 39.5 | Very low | 44.4 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -126.4 | 74.8 | 137.7 | -146 | 173.9 | -8.7 | 0 | 0 | 110.9 | Q164 | Q162-Q164 PolarHBondContact O-N 3.34Š| ||
| 163 | H | 42.9 | Very low | 43.2 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -59.8 | 77.8 | 153.7 | -150.3 | 65 | 0 | 0 | 0 | 109.1 | ||||
| 164 | Q | 36.3 | Very low | 42.1 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -175.6 | 100.1 | 162.8 | -123.1 | 128.2 | -0.5 | 0 | 0 | 106.8 | Q162 | Q162-Q164 PolarHBondContact O-N 3.34Š| ||
| 165 | Q | 36.2 | Very low | 41.9 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | cis | 47.2 | 59.4 | 48.2 | -147 | 167.4 | 16.4 | 0 | 0 | 112.6 | ||||
| 166 | T | 34.9 | Very low | 41.7 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -162.2 | 106.4 | 146.1 | 15.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 167 | T | 38.4 | Very low | 41.2 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 63.1 | 121.4 | 131.9 | 6.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 168 | C | 32.8 | Very low | 40.7 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | 69.5 | 129.4 | 152.8 | -65.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 169 | R | 37.6 | Very low | 40.5 | Very low | 238 Ų | 238 | 153.7 Ų | 153.7 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | cis | -178.4 | 159 | 44.8 | -127.8 | 171.7 | 164.4 | -162 | -5.3 | 108.3 | ||||
| 170 | P | 41.9 | Very low | 39.9 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -99 | 167.9 | -171.3 | 38.5 | -31.6 | 0 | 0 | 0 | 114.4 | ||||
| 171 | A | 35.5 | Very low | 39.7 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | 67 | 115.9 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 172 | L | 42.1 | Very low | 39.4 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | -178.9 | 108.1 | 122.7 | -121.9 | 80.3 | 0 | 0 | 0 | 107.6 | |||||
| 173 | R | 38.5 | Very low | 39.2 | Very low | 205 Ų | 205 | 149.2 Ų | 149.2 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | 62.1 | 109.9 | 85.8 | -155.3 | 176.7 | -164.6 | -114.9 | 3.5 | 113.9 | |||||
| 174 | Q | 38.4 | Very low | 39.3 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | 46.6 | 120.6 | 144.4 | -64.7 | 170 | -30.7 | 0 | 0 | 118.9 | ||||
| 175 | S | 49.4 | Very low | 39.7 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -147.4 | 94.1 | 135.8 | -165.9 | 0 | 0 | 0 | 0 | 110.3 | R177 | S175-R177 PolarHBondContact O-N 3.3Š| ||
| 176 | T | 39.6 | Very low | 40 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 111.8 | 160.1 | -40.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 177 | R | 45.3 | Very low | 40.8 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -150.6 | 100.3 | 167.1 | -148.7 | 159.3 | -163.2 | -145.1 | 4.2 | 108.7 | S175 | S175-R177 PolarHBondContact O-N 3.3Š| ||
| 178 | R | 41.2 | Very low | 41.1 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | 72.6 | 103.1 | 101.7 | -96.5 | -174.6 | 178.8 | -171.9 | 0.1 | 111.7 | |||||
| 179 | T | 37.1 | Very low | 41.3 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 80 | 114.3 | 101.9 | 46.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 180 | A | 38.4 | Very low | 42 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 80.7 | 132.1 | 127.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 181 | T | 42.7 | Very low | 42.5 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 91.5 | 94.1 | 142 | -48.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 182 | T | 38 | Very low | 42.9 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | 28.5 | 110.4 | 115.7 | -48.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 183 | R | 36.2 | Very low | 43.3 | Very low | 229 Ų | 229 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | 177.5 | 153.5 | 112.5 | -96.8 | -177.2 | 175.2 | -165.2 | -2.1 | 111.8 | |||||
| 184 | P | 45.2 | Very low | 44.1 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -87.7 | 145.6 | -170.2 | 35.5 | -31.5 | 0 | 0 | 0 | 111.3 | ||||
| 185 | I | 43.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -125 | 111.5 | 167.1 | -62.2 | -179.9 | 0 | 0 | 0 | 108.1 | S187 | I185-S187 PolarHBondContact O-N 2.72Š| ||
| 186 | T | 43.2 | Very low | 45.5 | Very low | 139 Ų | 139 | 156.2 Ų | 156.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -31.5 | 114.7 | 157.4 | 38.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 187 | S | 51.7 | Low | 46.1 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -110.7 | 114.9 | 162.2 | -174.7 | 0 | 0 | 0 | 0 | 105.7 | I185 | I185-S187 PolarHBondContact O-N 2.72Š| ||
| 188 | G | 44.4 | Very low | 46.6 | Very low | 56 Ų | 56 | 161.8 Ų | 161.8 | 58% | 0.577 | 81% | 0.806 | S | S | * | * | cis | 102.1 | 77.5 | 46.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | S190 | G188-S190 PolarHBondContact O-N 3.48Š| ||
| 189 | Y | 37.3 | Very low | 47.2 | Very low | 242 Ų | 242 | 157.8 Ų | 157.8 | 95% | 0.949 | 80% | 0.8 | S | S | * | * | trans | -67.8 | 110.6 | 175.6 | -76.7 | -93.3 | 0 | 0 | 0 | 110.7 | ||||
| 190 | S | 52.6 | Low | 47.7 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 176.9 | 126 | 158.4 | 50.2 | 0 | 0 | 0 | 0 | 105.8 | G188 | G188-S190 PolarHBondContact O-N 3.48Š| ||
| 191 | T | 51.7 | Low | 48.8 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | -165.6 | 132.7 | 56.3 | 39.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 192 | L | 44.3 | Very low | 49.5 | Very low | 158 Ų | 158 | 164.1 Ų | 164.1 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | trans | -59.4 | 144.4 | 154.5 | -81 | 145.9 | 0 | 0 | 0 | 110.6 | R194 | L192-R194 HydrophobicContact CD2-CB 4.42Š| ||
| 193 | P | 50.6 | Low | 50 | Low | 124 Ų | 124 | 166.4 Ų | 166.4 | 81% | 0.805 | 84% | 0.84 | S | S | * | * | trans | -125.9 | 95.6 | 134.1 | 31.6 | -21.1 | 0 | 0 | 0 | 110 | R195 | P193-R195 PolarHBondContact O-N 3.4Š| ||
| 194 | R | 55 | Low | 50.8 | Low | 230 Ų | 230 | 163.1 Ų | 163.1 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | trans | -85.2 | 93.8 | 165.9 | -168.9 | 177 | -174.1 | -177.6 | 2.2 | 107.8 | L192 R196 | L192-R194 HydrophobicContact CD2-CB 4.42Å; R194-R196 PolarHBondContact O-N 3.42Å | ||
| 195 | R | 59.7 | Low | 51.1 | Low | 247 Ų | 247 | 165.6 Ų | 165.6 | 93% | 0.932 | 84% | 0.842 | S | S | * | * | trans | -63.4 | 124.2 | 176.2 | -154.6 | 176.2 | -172.5 | -159.5 | 2.2 | 109.3 | P193 | P193-R195 PolarHBondContact O-N 3.4Š| ||
| 196 | R | 56.6 | Low | 51.5 | Low | 236 Ų | 236 | 166.1 Ų | 166.1 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -82.9 | 144.4 | -173.9 | -167.5 | 179.3 | -170 | -162.6 | 3.1 | 111.1 | R194 | R194-R196 PolarHBondContact O-N 3.42Š| ||
| 197 | R | 52.1 | Low | 52 | Low | 205 Ų | 205 | 167.8 Ų | 167.8 | 77% | 0.774 | 84% | 0.843 | S | S | * | * | trans | -26.8 | 147.8 | 165.5 | -80.1 | -178.7 | 172.3 | -149.8 | 6.7 | 116.4 | D199 | R197-D199 IonicContact CZ-OD2 2.75Å; R197-D199 IonicContact NE-OD2 2.7Å; R197-D199 IonicContact NH1-OD2 3.33Å; R197-D199 PolarHBondContact NH1-OD2 2.94Å | ||
| 198 | R | 57.7 | Low | 52 | Low | 250 Ų | 250 | 170.9 Ų | 170.9 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | -142.1 | 108.2 | 127.3 | -120.3 | -176.9 | -159.8 | -170.9 | 4.8 | 110.1 | |||||
| 199 | D | 53.8 | Low | 52.6 | Low | 118 Ų | 118 | 179.1 Ų | 179.1 | 63% | 0.631 | 86% | 0.863 | S | S | * | * | trans | -71.2 | 147.8 | 157.2 | -58.1 | -52 | 0 | 0 | 0 | 108.4 | R197 | R197-D199 IonicContact CZ-OD2 2.75Å; R197-D199 IonicContact NE-OD2 2.7Å; R197-D199 IonicContact NH1-OD2 3.33Å; R197-D199 PolarHBondContact NH1-OD2 2.94Å | ||
| 200 | G | 47.5 | Very low | 53.8 | Low | 75 Ų | 75 | 174.3 Ų | 174.3 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | trans | 152 | 82.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 201 | T | 59.7 | Low | 53.8 | Low | 144 Ų | 144 | 180.3 Ų | 180.3 | 88% | 0.883 | 87% | 0.867 | S | S | * | * | trans | -145.2 | 93 | 147.5 | 33.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 202 | L | 57.6 | Low | 54 | Low | 250 Ų | 250 | 185.2 Ų | 185.2 | 100% | 1.309 | 88% | 0.876 | S | S | * | * | trans | -69.8 | 0 | 147.6 | -81.7 | 165.4 | 0 | 0 | 0 | 108.1 |
Retrieved 202 of 202 residues in 398.3 ms
(Link to these results)