| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 59.4 | Low | 71 | Confident | 199 Ų | 199 | 127.3 Ų | 127.3 | 98% | 0.98 | 64% | 0.637 | S | S | * | * | 0 | -42 | 0 | -68.2 | -159 | -145.9 | 0 | 0 | 113.7 | S3 L4 W5 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.17Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-W5 PolarHBondContact O-N 3.24Å | |||
| 2 | I | 67.4 | Low | 71.9 | Confident | 136 Ų | 136 | 121.6 Ų | 121.6 | 70% | 0.697 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57.4 | -39.4 | -177.4 | -64.4 | 153.1 | 0 | 0 | 0 | 113.4 | L4 W5 L6 | I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.44Å; I2-W5 PolarHBondContact O-N 3.39Å; I2-L6 HydrophobicContact CG2-CD1 3.68Å; I2-L6 WeakPolarHBondContact O-CD1 3.43Å; I2-L6 PolarHBondContact O-N 3.45Å; I2-L6 VanDerWaalsContact O-N 3.1Å |
| 3 | S | 68.4 | Low | 73 | Confident | 75 Ų | 75 | 122.8 Ų | 122.8 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.7 | -32.7 | 178 | -175.9 | 0 | 0 | 0 | 0 | 113.8 | M1 K7 | M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.34Å; S3-K7 WeakPolarHBondContact O-CG 3.48Å; S3-K7 PolarHBondContact O-N 3.34Å |
| 4 | L | 64 | Low | 74 | Confident | 133 Ų | 133 | 121.7 Ų | 121.7 | 70% | 0.696 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.2 | -35 | 175.4 | -84.3 | 102.8 | 0 | 0 | 0 | 111.8 | M1 I2 K7 F8 | M1-L4 PolarHBondContact O-N 3.17Å; M1-L4 VanDerWaalsContact O-N 3.12Å; I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.44Å; L4-K7 PolarHBondContact O-N 3.1Å; L4-F8 WeakPolarHBondContact O-CB 3.32Å; L4-F8 PolarHBondContact O-N 3.03Å |
| 5 | W | 66 | Low | 74.7 | Confident | 206 Ų | 206 | 124.9 Ų | 124.9 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.4 | -41.8 | 175.7 | -89.6 | 80.7 | 0 | 0 | 0 | 112.7 | M1 I2 F8 S9 | M1-W5 PolarHBondContact O-N 3.24Å; I2-W5 PolarHBondContact O-N 3.39Å; W5-F8 PolarHBondContact O-N 3.22Å; W5-S9 WeakPolarHBondContact O-CB 3.41Å; W5-S9 PolarHBondContact O-N 3.19Å |
| 6 | L | 72.7 | Confident | 75.4 | Confident | 111 Ų | 111 | 123.3 Ų | 123.3 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.5 | -41 | 175 | -88.7 | 97 | 0 | 0 | 0 | 112.2 | I2 F8 S9 L10 | I2-L6 HydrophobicContact CG2-CD1 3.68Å; I2-L6 WeakPolarHBondContact O-CD1 3.43Å; I2-L6 PolarHBondContact O-N 3.45Å; I2-L6 VanDerWaalsContact O-N 3.1Å; L6-F8 VanDerWaalsContact C-N 3.35Å; L6-F8 PolarHBondContact O-N 3.47Å; L6-S9 PolarHBondContact O-N 3.43Å; L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 PolarHBondContact O-N 3Å |
| 7 | K | 74.8 | Confident | 76.3 | Confident | 149 Ų | 149 | 126.6 Ų | 126.6 | 65% | 0.648 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.9 | -38.6 | 177.2 | -73.3 | 179.9 | 179.2 | -177 | 0 | 112.2 | S3 L4 C11 | S3-K7 WeakPolarHBondContact O-CG 3.48Å; S3-K7 PolarHBondContact O-N 3.34Å; L4-K7 PolarHBondContact O-N 3.1Å; K7-C11 WeakPolarHBondContact O-CB 3.32Å; K7-C11 PolarHBondContact O-N 3.25Å; K7-C11 VanDerWaalsContact O-N 3.09Å |
| 8 | F | 68.1 | Low | 77 | Confident | 159 Ų | 159 | 124.2 Ų | 124.2 | 70% | 0.697 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.1 | -42.6 | 177.3 | -152.4 | -95.8 | 0 | 0 | 0 | 111.6 | L4 W5 L6 C11 T12 | L4-F8 WeakPolarHBondContact O-CB 3.32Å; L4-F8 PolarHBondContact O-N 3.03Å; W5-F8 PolarHBondContact O-N 3.22Å; L6-F8 VanDerWaalsContact C-N 3.35Å; L6-F8 PolarHBondContact O-N 3.47Å; F8-C11 PolarHBondContact O-N 3Å; F8-T12 HydrophobicContact CD1-CG2 4.35Å; F8-T12 HydrophobicContact CE1-CG2 4.35Å; F8-T12 WeakPolarHBondContact O-CG2 3.35Å; F8-T12 PolarHBondContact O-N 3.07Å; F8-T12 PolarHBondContact O-OG1 3.43Å |
| 9 | S | 78.2 | Confident | 77.5 | Confident | 54 Ų | 54 | 126.2 Ų | 126.2 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.2 | -46.2 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | W5 L6 C11 T12 F13 | W5-S9 WeakPolarHBondContact O-CB 3.41Å; W5-S9 PolarHBondContact O-N 3.19Å; L6-S9 PolarHBondContact O-N 3.43Å; S9-C11 VanDerWaalsContact C-N 3.29Å; S9-C11 PolarHBondContact O-N 3.43Å; S9-T12 WeakPolarHBondContact CA-OG1 3.3Å; S9-T12 PolarHBondContact O-N 3.22Å; S9-T12 PolarHBondContact O-OG1 3.39Å; S9-F13 VanDerWaalsContact O-CD2 3.27Å; S9-F13 WeakPolarHBondContact O-CD2 3.24Å; S9-F13 PolarHBondContact O-N 2.96Å |
| 10 | L | 79.8 | Confident | 78 | Confident | 115 Ų | 115 | 124.1 Ų | 124.1 | 60% | 0.602 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61 | -39.4 | 177.1 | -137.7 | 88.5 | 0 | 0 | 0 | 111.7 | L6 F13 L14 | L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 PolarHBondContact O-N 3Å; L10-F13 PolarHBondContact O-N 3.47Å; L10-L14 WeakPolarHBondContact O-CB 3.12Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.28Å |
| 11 | C | 82.2 | Confident | 78.4 | Confident | 63 Ų | 63 | 121.8 Ų | 121.8 | 43% | 0.426 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.3 | -35.9 | 178.6 | -160.6 | 0 | 0 | 0 | 0 | 112.4 | K7 F8 S9 R15 | K7-C11 WeakPolarHBondContact O-CB 3.32Å; K7-C11 PolarHBondContact O-N 3.25Å; K7-C11 VanDerWaalsContact O-N 3.09Å; F8-C11 PolarHBondContact O-N 3Å; S9-C11 VanDerWaalsContact C-N 3.29Å; S9-C11 PolarHBondContact O-N 3.43Å; C11-R15 WeakPolarHBondContact O-CG 3.48Å; C11-R15 PolarHBondContact O-N 3.36Å; C11-R15 VanDerWaalsContact O-N 3.11Å |
| 12 | T | 81.5 | Confident | 79.6 | Confident | 59 Ų | 59 | 116.5 Ų | 116.5 | 36% | 0.362 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.6 | -41.1 | 173.4 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | F8 S9 R15 I16 | F8-T12 HydrophobicContact CD1-CG2 4.35Å; F8-T12 HydrophobicContact CE1-CG2 4.35Å; F8-T12 WeakPolarHBondContact O-CG2 3.35Å; F8-T12 PolarHBondContact O-N 3.07Å; F8-T12 PolarHBondContact O-OG1 3.43Å; S9-T12 WeakPolarHBondContact CA-OG1 3.3Å; S9-T12 PolarHBondContact O-N 3.22Å; S9-T12 PolarHBondContact O-OG1 3.39Å; T12-R15 PolarHBondContact O-N 3.26Å; T12-I16 WeakPolarHBondContact O-CD1 3.46Å; T12-I16 VanDerWaalsContact O-CG1 3.23Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 3.48Å |
| 13 | F | 86.6 | Confident | 80.2 | Confident | 138 Ų | 138 | 116.1 Ų | 116.1 | 61% | 0.605 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.7 | -44 | 175.9 | -88.7 | -74.1 | 0 | 0 | 0 | 111.8 | S9 L10 R15 I16 W17 | S9-F13 VanDerWaalsContact O-CD2 3.27Å; S9-F13 WeakPolarHBondContact O-CD2 3.24Å; S9-F13 PolarHBondContact O-N 2.96Å; L10-F13 PolarHBondContact O-N 3.47Å; F13-R15 PolarHBondContact O-N 3.16Å; F13-I16 PolarHBondContact O-N 2.85Å; F13-W17 WeakPolarHBondContact O-CB 3.47Å; F13-W17 PolarHBondContact O-N 3.04Å |
| 14 | L | 86.5 | Confident | 80.9 | Confident | 107 Ų | 107 | 121.3 Ų | 121.3 | 56% | 0.56 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | 176.3 | -74.9 | 169.7 | 0 | 0 | 0 | 112 | L10 W17 V18 | L10-L14 WeakPolarHBondContact O-CB 3.12Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.28Å; L14-W17 PolarHBondContact O-N 3.43Å; L14-V18 WeakPolarHBondContact O-CB 3.33Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 2.92Å |
| 15 | R | 85 | Confident | 81.7 | Confident | 169 Ų | 169 | 119.8 Ų | 119.8 | 64% | 0.638 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.1 | -47.2 | 174.5 | -80.9 | -176.6 | 173.6 | 163 | -1.2 | 111.7 | C11 T12 F13 W17 V18 Y19 | C11-R15 WeakPolarHBondContact O-CG 3.48Å; C11-R15 PolarHBondContact O-N 3.36Å; C11-R15 VanDerWaalsContact O-N 3.11Å; T12-R15 PolarHBondContact O-N 3.26Å; F13-R15 PolarHBondContact O-N 3.16Å; R15-W17 VanDerWaalsContact C-N 3.32Å; R15-W17 PolarHBondContact O-N 3.03Å; R15-V18 PolarHBondContact O-N 3.38Å; R15-Y19 WeakPolarHBondContact O-CD2 3.41Å; R15-Y19 PolarHBondContact O-N 2.96Å |
| 16 | I | 86.6 | Confident | 82.1 | Confident | 100 Ų | 100 | 111.8 Ų | 111.8 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.6 | -44.1 | 177.9 | -66.4 | 162.2 | 0 | 0 | 0 | 110.3 | T12 F13 V18 Y19 V20 | T12-I16 WeakPolarHBondContact O-CD1 3.46Å; T12-I16 VanDerWaalsContact O-CG1 3.23Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 3.48Å; F13-I16 PolarHBondContact O-N 2.85Å; I16-V18 VanDerWaalsContact C-N 3.35Å; I16-V18 PolarHBondContact O-N 3.23Å; I16-Y19 PolarHBondContact O-N 2.78Å; I16-V20 HydrophobicContact CG2-CG2 4.4Å; I16-V20 WeakPolarHBondContact O-CG2 3.46Å; I16-V20 PolarHBondContact O-N 3.48Å |
| 17 | W | 89.9 | Confident | 82.1 | Confident | 180 Ų | 180 | 108.9 Ų | 108.9 | 68% | 0.682 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -37.6 | 179.6 | -147 | 81 | 0 | 0 | 0 | 112.2 | F13 L14 R15 V20 L21 | F13-W17 WeakPolarHBondContact O-CB 3.47Å; F13-W17 PolarHBondContact O-N 3.04Å; L14-W17 PolarHBondContact O-N 3.43Å; R15-W17 VanDerWaalsContact C-N 3.32Å; R15-W17 PolarHBondContact O-N 3.03Å; W17-V20 PolarHBondContact O-N 3.25Å; W17-L21 HydrophobicContact CZ3-CD1 4.33Å; W17-L21 VanDerWaalsContact O-CB 3.3Å; W17-L21 WeakPolarHBondContact O-CB 3.41Å; W17-L21 PolarHBondContact O-N 2.79Å |
| 18 | V | 89.4 | Confident | 81.9 | Confident | 82 Ų | 82 | 104 Ų | 104 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 171.7 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L14 R15 I16 L21 V22 | L14-V18 WeakPolarHBondContact O-CB 3.33Å; L14-V18 VanDerWaalsContact O-CG2 3.23Å; L14-V18 WeakPolarHBondContact O-CG2 3.48Å; L14-V18 PolarHBondContact O-N 2.92Å; R15-V18 PolarHBondContact O-N 3.38Å; I16-V18 VanDerWaalsContact C-N 3.35Å; I16-V18 PolarHBondContact O-N 3.23Å; V18-L21 PolarHBondContact O-N 3.35Å; V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 WeakPolarHBondContact O-CB 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.49Å; V18-V22 PolarHBondContact O-N 2.84Å |
| 19 | Y | 85.5 | Confident | 82.1 | Confident | 162 Ų | 162 | 100 Ų | 100 | 64% | 0.635 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 175.2 | -78.2 | -66.9 | 0 | 0 | 0 | 112.4 | R15 I16 V22 L23 | R15-Y19 WeakPolarHBondContact O-CD2 3.41Å; R15-Y19 PolarHBondContact O-N 2.96Å; I16-Y19 PolarHBondContact O-N 2.78Å; Y19-V22 PolarHBondContact O-N 2.81Å; Y19-L23 WeakPolarHBondContact O-CB 3.33Å; Y19-L23 WeakPolarHBondContact O-CG 3.38Å; Y19-L23 PolarHBondContact O-N 3.49Å |
| 20 | V | 87.5 | Confident | 81.7 | Confident | 85 Ų | 85 | 103.6 Ų | 103.6 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.6 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I16 W17 L23 W24 | I16-V20 HydrophobicContact CG2-CG2 4.4Å; I16-V20 WeakPolarHBondContact O-CG2 3.46Å; I16-V20 PolarHBondContact O-N 3.48Å; W17-V20 PolarHBondContact O-N 3.25Å; V20-L23 PolarHBondContact O-N 3.4Å; V20-W24 VanDerWaalsContact O-CB 3.29Å; V20-W24 WeakPolarHBondContact O-CB 3.33Å; V20-W24 PolarHBondContact O-N 3.19Å |
| 21 | L | 87.1 | Confident | 81.1 | Confident | 75 Ų | 75 | 105.4 Ų | 105.4 | 39% | 0.393 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 176.5 | -170.1 | 82.2 | 0 | 0 | 0 | 111.4 | W17 V18 W24 L25 | W17-L21 HydrophobicContact CZ3-CD1 4.33Å; W17-L21 VanDerWaalsContact O-CB 3.3Å; W17-L21 WeakPolarHBondContact O-CB 3.41Å; W17-L21 PolarHBondContact O-N 2.79Å; V18-L21 PolarHBondContact O-N 3.35Å; L21-W24 PolarHBondContact O-N 3.32Å; L21-L25 HydrophobicContact CD2-CD1 4.2Å; L21-L25 HydrophobicContact CG-CD1 3.93Å; L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 PolarHBondContact O-N 3.26Å |
| 22 | V | 84.2 | Confident | 80.5 | Confident | 88 Ų | 88 | 108 Ų | 108 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 176.8 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | V18 Y19 G26 | V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 WeakPolarHBondContact O-CB 3.28Å; V18-V22 WeakPolarHBondContact O-CG2 3.49Å; V18-V22 PolarHBondContact O-N 2.84Å; Y19-V22 PolarHBondContact O-N 2.81Å; V22-G26 PolarHBondContact O-N 3.06Å |
| 23 | L | 80.3 | Confident | 79.7 | Confident | 129 Ų | 129 | 112.2 Ų | 112.2 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -40.4 | 173.6 | -77.7 | 167.8 | 0 | 0 | 0 | 111.8 | Y19 V20 G26 A27 | Y19-L23 WeakPolarHBondContact O-CB 3.33Å; Y19-L23 WeakPolarHBondContact O-CG 3.38Å; Y19-L23 PolarHBondContact O-N 3.49Å; V20-L23 PolarHBondContact O-N 3.4Å; L23-G26 PolarHBondContact O-N 2.97Å; L23-A27 PolarHBondContact O-N 3.1Å |
| 24 | W | 83.2 | Confident | 79 | Confident | 183 Ų | 183 | 109.5 Ų | 109.5 | 69% | 0.693 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.1 | -41.2 | 178.4 | -165.5 | 78.5 | 0 | 0 | 0 | 112.1 | V20 L21 G26 A27 A28 | V20-W24 VanDerWaalsContact O-CB 3.29Å; V20-W24 WeakPolarHBondContact O-CB 3.33Å; V20-W24 PolarHBondContact O-N 3.19Å; L21-W24 PolarHBondContact O-N 3.32Å; W24-G26 VanDerWaalsContact C-N 3.33Å; W24-A27 PolarHBondContact O-N 3.29Å; W24-A28 WeakPolarHBondContact O-CB 3.23Å; W24-A28 PolarHBondContact O-N 3.35Å |
| 25 | L | 81.3 | Confident | 78.4 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 170.8 | -89.7 | 152 | 0 | 0 | 0 | 112 | L21 S29 | L21-L25 HydrophobicContact CD2-CD1 4.2Å; L21-L25 HydrophobicContact CG-CD1 3.93Å; L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 PolarHBondContact O-N 3.26Å; L25-S29 WeakPolarHBondContact O-CB 3.44Å; L25-S29 PolarHBondContact O-N 2.78Å |
| 26 | G | 73.9 | Confident | 78.1 | Confident | 38 Ų | 38 | 103 Ų | 103 | 39% | 0.392 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V22 L23 W24 S29 E30 | V22-G26 PolarHBondContact O-N 3.06Å; L23-G26 PolarHBondContact O-N 2.97Å; W24-G26 VanDerWaalsContact C-N 3.33Å; G26-S29 WeakPolarHBondContact O-CB 3.21Å; G26-S29 PolarHBondContact O-N 3.49Å; G26-E30 PolarHBondContact O-N 3.29Å |
| 27 | A | 72.4 | Confident | 77.7 | Confident | 51 Ų | 51 | 100.1 Ų | 100.1 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L23 W24 S29 E30 E31 | L23-A27 PolarHBondContact O-N 3.1Å; W24-A27 PolarHBondContact O-N 3.29Å; A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.09Å; A27-E30 WeakPolarHBondContact O-CB 3.38Å; A27-E30 PolarHBondContact O-N 3.22Å; A27-E30 VanDerWaalsContact O-N 3.1Å; A27-E31 PolarHBondContact O-N 3.39Å; A27-E31 VanDerWaalsContact O-N 3.13Å |
| 28 | A | 70.9 | Confident | 77.3 | Confident | 46 Ų | 46 | 92.6 Ų | 92.6 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -32.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W24 E30 L32 | W24-A28 WeakPolarHBondContact O-CB 3.23Å; W24-A28 PolarHBondContact O-N 3.35Å; A28-E30 VanDerWaalsContact C-N 3.35Å; A28-L32 PolarHBondContact O-N 3.44Å |
| 29 | S | 71.5 | Confident | 77 | Confident | 75 Ų | 75 | 91.8 Ų | 91.8 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71 | -31.3 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | L25 G26 A27 F33 | L25-S29 WeakPolarHBondContact O-CB 3.44Å; L25-S29 PolarHBondContact O-N 2.78Å; G26-S29 WeakPolarHBondContact O-CB 3.21Å; G26-S29 PolarHBondContact O-N 3.49Å; A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.09Å; S29-F33 VanDerWaalsContact O-CB 3.24Å; S29-F33 WeakPolarHBondContact O-CB 3.4Å; S29-F33 PolarHBondContact O-N 2.71Å |
| 30 | E | 70.6 | Confident | 76.9 | Confident | 130 Ų | 130 | 89.3 Ų | 89.3 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71 | -44.9 | 178.4 | -161.6 | 167.9 | -172.8 | 0 | 0 | 110.9 | G26 A27 A28 L32 F33 D34 | G26-E30 PolarHBondContact O-N 3.29Å; A27-E30 WeakPolarHBondContact O-CB 3.38Å; A27-E30 PolarHBondContact O-N 3.22Å; A27-E30 VanDerWaalsContact O-N 3.1Å; A28-E30 VanDerWaalsContact C-N 3.35Å; E30-L32 PolarHBondContact O-N 3.45Å; E30-F33 PolarHBondContact O-N 3.05Å; E30-F33 VanDerWaalsContact O-N 3.15Å; E30-D34 PolarHBondContact O-N 2.87Å |
| 31 | E | 67.8 | Low | 76.7 | Confident | 153 Ų | 153 | 85.4 Ų | 85.4 | 72% | 0.715 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.5 | -38.7 | 175.6 | -67.7 | -168.5 | 176.7 | 0 | 0 | 113 | A27 F33 D34 S35 | A27-E31 PolarHBondContact O-N 3.39Å; A27-E31 VanDerWaalsContact O-N 3.13Å; E31-F33 VanDerWaalsContact C-N 3.33Å; E31-D34 PolarHBondContact O-N 2.83Å; E31-S35 PolarHBondContact O-N 3.48Å; E31-S35 PolarHBondContact O-OG 3.22Å; E31-S35 VanDerWaalsContact O-OG 3.12Å |
| 32 | L | 69 | Low | 76.6 | Confident | 118 Ų | 118 | 86 Ų | 86 | 62% | 0.618 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | 174.1 | -164.5 | 84.6 | 0 | 0 | 0 | 111.1 | A28 E30 S35 V36 | A28-L32 PolarHBondContact O-N 3.44Å; E30-L32 PolarHBondContact O-N 3.45Å; L32-S35 WeakPolarHBondContact CA-OG 3.27Å; L32-S35 PolarHBondContact O-OG 2.88Å; L32-V36 VanDerWaalsContact O-CG2 3.27Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 3.17Å; L32-V36 VanDerWaalsContact O-N 3.08Å |
| 33 | F | 65.5 | Low | 76.7 | Confident | 146 Ų | 146 | 91.2 Ų | 91.2 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.8 | -41.3 | 177.1 | -170.1 | -97.5 | 0 | 0 | 0 | 111.5 | S29 E30 E31 V36 A37 | S29-F33 VanDerWaalsContact O-CB 3.24Å; S29-F33 WeakPolarHBondContact O-CB 3.4Å; S29-F33 PolarHBondContact O-N 2.71Å; E30-F33 PolarHBondContact O-N 3.05Å; E30-F33 VanDerWaalsContact O-N 3.15Å; E31-F33 VanDerWaalsContact C-N 3.33Å; F33-V36 PolarHBondContact O-N 2.96Å; F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 3.18Å |
| 34 | D | 70.7 | Confident | 76.9 | Confident | 81 Ų | 81 | 90.3 Ų | 90.3 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.4 | -85.4 | -13.8 | 0 | 0 | 0 | 112.1 | E30 E31 A37 F38 | E30-D34 PolarHBondContact O-N 2.87Å; E31-D34 PolarHBondContact O-N 2.83Å; D34-A37 PolarHBondContact O-N 3.37Å; D34-F38 VanDerWaalsContact O-CB 3.26Å; D34-F38 WeakPolarHBondContact O-CB 3.46Å; D34-F38 PolarHBondContact O-N 3.44Å |
| 35 | S | 74.3 | Confident | 77.1 | Confident | 60 Ų | 60 | 82.8 Ų | 82.8 | 42% | 0.42 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 175.5 | 58.1 | 0 | 0 | 0 | 0 | 113 | E31 L32 F38 E39 | E31-S35 PolarHBondContact O-N 3.48Å; E31-S35 PolarHBondContact O-OG 3.22Å; E31-S35 VanDerWaalsContact O-OG 3.12Å; L32-S35 WeakPolarHBondContact CA-OG 3.27Å; L32-S35 PolarHBondContact O-OG 2.88Å; S35-F38 PolarHBondContact O-N 2.93Å; S35-E39 PolarHBondContact O-N 3.49Å |
| 36 | V | 78.2 | Confident | 77.4 | Confident | 81 Ų | 81 | 82 Ų | 82 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L32 F33 F38 E39 Q40 | L32-V36 VanDerWaalsContact O-CG2 3.27Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 3.17Å; L32-V36 VanDerWaalsContact O-N 3.08Å; F33-V36 PolarHBondContact O-N 2.96Å; V36-F38 VanDerWaalsContact C-N 3.32Å; V36-F38 PolarHBondContact O-N 2.82Å; V36-E39 PolarHBondContact O-N 3.39Å; V36-Q40 VanDerWaalsContact O-CB 3.28Å; V36-Q40 WeakPolarHBondContact O-CB 3.46Å; V36-Q40 PolarHBondContact O-N 2.88Å |
| 37 | A | 78.2 | Confident | 78.1 | Confident | 38 Ų | 38 | 83.4 Ų | 83.4 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F33 D34 Q40 S41 | F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 3.18Å; D34-A37 PolarHBondContact O-N 3.37Å; A37-Q40 PolarHBondContact O-N 2.95Å; A37-S41 WeakPolarHBondContact O-CB 3.45Å; A37-S41 PolarHBondContact O-N 3.26Å; A37-S41 PolarHBondContact O-OG 3.35Å |
| 38 | F | 82.8 | Confident | 78.9 | Confident | 22 Ų | 22 | 81 Ų | 81 | 10% | 0.096 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.2 | -53.8 | 173.4 | 175.9 | -97.7 | 0 | 0 | 0 | 111.2 | D34 S35 V36 Q40 S41 R42 F49 E106 W109 V110 | D34-F38 VanDerWaalsContact O-CB 3.26Å; D34-F38 WeakPolarHBondContact O-CB 3.46Å; D34-F38 PolarHBondContact O-N 3.44Å; S35-F38 PolarHBondContact O-N 2.93Å; V36-F38 VanDerWaalsContact C-N 3.32Å; V36-F38 PolarHBondContact O-N 2.82Å; F38-Q40 VanDerWaalsContact C-N 3.27Å; F38-Q40 PolarHBondContact O-N 3.01Å; F38-S41 WeakPolarHBondContact CA-OG 3.29Å; F38-S41 PolarHBondContact O-N 3.32Å; F38-S41 VanDerWaalsContact O-N 3.17Å; F38-S41 PolarHBondContact O-OG 3.47Å; F38-R42 PolarHBondContact O-N 3.19Å; F38-F49 HydrophobicContact CE2-CE2 4.43Å; F38-F49 HydrophobicContact CZ-CE2 4Å; F38-F49 HydrophobicContact CZ-CZ 4.48Å; F38-E106 HydrophobicContact CE1-CG 3.85Å; F38-E106 HydrophobicContact CE2-CB 3.87Å; F38-E106 HydrophobicContact CE2-CG 3.69Å; F38-E106 HydrophobicContact CZ-CB 4.01Å; F38-E106 HydrophobicContact CZ-CG 3.28Å; F38-W109 AromaticContact CD2-CD1 3.69Å; F38-W109 HydrophobicContact CE2-CB 4.12Å; F38-W109 AromaticContact CE2-CD1 3.43Å; F38-W109 VanDerWaalsContact CE2-CD1 3.43Å; F38-W109 HydrophobicContact CE2-CG 4.07Å; F38-V110 HydrophobicContact CD2-CG2 3.77Å; F38-V110 HydrophobicContact CE2-CG2 4.43Å |
| 39 | E | 82 | Confident | 79.8 | Confident | 66 Ų | 66 | 80.2 Ų | 80.2 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 177.7 | -79.1 | -65.1 | 151.1 | 0 | 0 | 112.6 | S35 V36 R42 R43 | S35-E39 PolarHBondContact O-N 3.49Å; V36-E39 PolarHBondContact O-N 3.39Å; E39-R42 IonicContact OE1-CZ 3.26Å; E39-R42 VanDerWaalsContact OE1-CZ 3.23Å; E39-R42 IonicContact OE1-NE 2.69Å; E39-R42 IonicContact OE1-NH1 3.15Å; E39-R42 IonicContact OE1-NH2 3.9Å; E39-R42 PolarHBondContact OE1-NH2 2.95Å; E39-R42 IonicContact OE2-CZ 2.91Å; E39-R42 IonicContact OE2-NE 3.64Å; E39-R42 IonicContact OE2-NH2 3.97Å; E39-R42 PolarHBondContact OE2-NH2 3.46Å; E39-R43 WeakPolarHBondContact O-CG 3.3Å; E39-R43 PolarHBondContact O-N 3.48Å; E39-R43 VanDerWaalsContact O-N 3.16Å |
| 40 | Q | 83.9 | Confident | 80.7 | Confident | 109 Ų | 109 | 80 Ų | 80 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 175.8 | -176.3 | 174 | -15.6 | 0 | 0 | 111.3 | V36 A37 F38 R42 R43 E44 | V36-Q40 VanDerWaalsContact O-CB 3.28Å; V36-Q40 WeakPolarHBondContact O-CB 3.46Å; V36-Q40 PolarHBondContact O-N 2.88Å; A37-Q40 PolarHBondContact O-N 2.95Å; F38-Q40 VanDerWaalsContact C-N 3.27Å; F38-Q40 PolarHBondContact O-N 3.01Å; Q40-R42 VanDerWaalsContact C-N 3.3Å; Q40-R42 PolarHBondContact O-N 2.86Å; Q40-R43 PolarHBondContact O-N 2.94Å; Q40-R43 VanDerWaalsContact O-N 3.08Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.16Å; Q40-E44 PolarHBondContact NE2-OE1 3.19Å; Q40-E44 WeakPolarHBondContact O-CG 3.24Å; Q40-E44 PolarHBondContact O-N 2.91Å |
| 41 | S | 83.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 178.8 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | A37 F38 R43 E44 D45 W109 | A37-S41 WeakPolarHBondContact O-CB 3.45Å; A37-S41 PolarHBondContact O-N 3.26Å; A37-S41 PolarHBondContact O-OG 3.35Å; F38-S41 WeakPolarHBondContact CA-OG 3.29Å; F38-S41 PolarHBondContact O-N 3.32Å; F38-S41 VanDerWaalsContact O-N 3.17Å; F38-S41 PolarHBondContact O-OG 3.47Å; S41-R43 VanDerWaalsContact C-N 3.3Å; S41-R43 PolarHBondContact O-N 3.34Å; S41-E44 PolarHBondContact O-N 2.97Å; S41-D45 PolarHBondContact O-N 3.04Å; S41-W109 WeakPolarHBondContact O-CZ2 3.38Å; S41-W109 PolarHBondContact OG-NE1 3.3Å |
| 42 | R | 85.2 | Confident | 82.8 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 175.2 | -172.4 | 175 | 70.1 | 179.8 | 1.6 | 112.7 | F38 E39 Q40 F49 | F38-R42 PolarHBondContact O-N 3.19Å; E39-R42 IonicContact OE1-CZ 3.26Å; E39-R42 VanDerWaalsContact OE1-CZ 3.23Å; E39-R42 IonicContact OE1-NE 2.69Å; E39-R42 IonicContact OE1-NH1 3.15Å; E39-R42 IonicContact OE1-NH2 3.9Å; E39-R42 PolarHBondContact OE1-NH2 2.95Å; E39-R42 IonicContact OE2-CZ 2.91Å; E39-R42 IonicContact OE2-NE 3.64Å; E39-R42 IonicContact OE2-NH2 3.97Å; E39-R42 PolarHBondContact OE2-NH2 3.46Å; Q40-R42 VanDerWaalsContact C-N 3.3Å; Q40-R42 PolarHBondContact O-N 2.86Å; R42-F49 HydrophobicContact CG-CB 4.32Å; R42-F49 HydrophobicContact CG-CD1 3.96Å; R42-F49 HydrophobicContact CG-CD2 4.09Å; R42-F49 HydrophobicContact CG-CE1 4.32Å; R42-F49 HydrophobicContact CG-CE2 4.44Å; R42-F49 HydrophobicContact CG-CG 3.84Å |
| 43 | R | 85.4 | Confident | 83.8 | Confident | 198 Ų | 198 | 64.8 Ų | 64.8 | 75% | 0.747 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.2 | -31 | 176 | -72 | 179.1 | -170 | -179.4 | 4.7 | 113.1 | E39 Q40 S41 | E39-R43 WeakPolarHBondContact O-CG 3.3Å; E39-R43 PolarHBondContact O-N 3.48Å; E39-R43 VanDerWaalsContact O-N 3.16Å; Q40-R43 PolarHBondContact O-N 2.94Å; Q40-R43 VanDerWaalsContact O-N 3.08Å; S41-R43 VanDerWaalsContact C-N 3.3Å; S41-R43 PolarHBondContact O-N 3.34Å |
| 44 | E | 84.9 | Confident | 85 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70 | -39.6 | -179.6 | -75.5 | 178.5 | -163.6 | 0 | 0 | 112.4 | Q40 S41 W113 | Q40-E44 WeakPolarHBondContact CG-OE1 3.16Å; Q40-E44 PolarHBondContact NE2-OE1 3.19Å; Q40-E44 WeakPolarHBondContact O-CG 3.24Å; Q40-E44 PolarHBondContact O-N 2.91Å; S41-E44 PolarHBondContact O-N 2.97Å; E44-W113 HydrophobicContact CB-CH2 3.87Å; E44-W113 WeakPolarHBondContact OE2-CH2 3.25Å; E44-W113 WeakPolarHBondContact OE2-CZ2 3.3Å |
| 45 | D | 86.6 | Confident | 85.9 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | trans | -134.6 | 81.5 | 176 | -174.3 | 8.3 | 0 | 0 | 0 | 112.3 | S41 T47 G48 F49 W109 | S41-D45 PolarHBondContact O-N 3.04Å; D45-T47 PolarHBondContact O-N 3.29Å; D45-T47 PolarHBondContact OD1-N 2.82Å; D45-T47 PolarHBondContact OD1-OG1 2.92Å; D45-G48 VanDerWaalsContact CG-N 3.33Å; D45-G48 PolarHBondContact O-N 2.68Å; D45-G48 PolarHBondContact OD1-N 3.3Å; D45-G48 WeakPolarHBondContact OD2-CA 3.34Å; D45-F49 PolarHBondContact O-N 2.89Å; D45-F49 VanDerWaalsContact O-N 3.15Å; D45-W109 HydrophobicContact CB-CH2 4.23Å | ||
| 46 | P | 88.5 | Confident | 86.7 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -27 | 178.2 | 27 | -34.5 | 0 | 0 | 0 | 112.2 | D50 | P46-D50 WeakPolarHBondContact O-CB 3.29Å; P46-D50 PolarHBondContact O-N 2.84Å |
| 47 | T | 87.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -77.2 | -37.2 | -178.4 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | D45 A51 | D45-T47 PolarHBondContact O-N 3.29Å; D45-T47 PolarHBondContact OD1-N 2.82Å; D45-T47 PolarHBondContact OD1-OG1 2.92Å; T47-A51 WeakPolarHBondContact O-CB 3.32Å; T47-A51 PolarHBondContact O-N 2.96Å; T47-A51 VanDerWaalsContact O-N 3.1Å |
| 48 | G | 89.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D45 A51 I52 | D45-G48 VanDerWaalsContact CG-N 3.33Å; D45-G48 PolarHBondContact O-N 2.68Å; D45-G48 PolarHBondContact OD1-N 3.3Å; D45-G48 WeakPolarHBondContact OD2-CA 3.34Å; G48-A51 WeakPolarHBondContact O-CB 3.43Å; G48-A51 PolarHBondContact O-N 3.45Å; G48-I52 PolarHBondContact O-N 3.49Å |
| 49 | F | 90.5 | Very high | 87.8 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 177 | -177.3 | -99 | 0 | 0 | 0 | 111.8 | F38 R42 D45 A51 I52 M53 V105 W109 | F38-F49 HydrophobicContact CE2-CE2 4.43Å; F38-F49 HydrophobicContact CZ-CE2 4Å; F38-F49 HydrophobicContact CZ-CZ 4.48Å; R42-F49 HydrophobicContact CG-CB 4.32Å; R42-F49 HydrophobicContact CG-CD1 3.96Å; R42-F49 HydrophobicContact CG-CD2 4.09Å; R42-F49 HydrophobicContact CG-CE1 4.32Å; R42-F49 HydrophobicContact CG-CE2 4.44Å; R42-F49 HydrophobicContact CG-CG 3.84Å; D45-F49 PolarHBondContact O-N 2.89Å; D45-F49 VanDerWaalsContact O-N 3.15Å; F49-A51 VanDerWaalsContact C-N 3.26Å; F49-A51 PolarHBondContact O-N 3.23Å; F49-I52 PolarHBondContact O-N 2.92Å; F49-I52 VanDerWaalsContact O-N 3.15Å; F49-M53 WeakPolarHBondContact O-CB 3.4Å; F49-M53 PolarHBondContact O-N 3.31Å; F49-V105 HydrophobicContact CE2-CG1 4.19Å; F49-V105 HydrophobicContact CZ-CG1 4.03Å; F49-W109 VanDerWaalsContact CA-CZ3 3.45Å; F49-W109 HydrophobicContact CB-CD2 4.41Å; F49-W109 HydrophobicContact CB-CE3 4.08Å; F49-W109 HydrophobicContact CB-CH2 4.11Å; F49-W109 HydrophobicContact CB-CZ2 4.41Å; F49-W109 HydrophobicContact CB-CZ3 3.96Å; F49-W109 HydrophobicContact CD2-CB 4.1Å; F49-W109 AromaticContact CD2-CD2 3.6Å; F49-W109 HydrophobicContact CD2-CD2 3.6Å; F49-W109 AromaticContact CD2-CE3 3.84Å; F49-W109 HydrophobicContact CD2-CE3 3.84Å; F49-W109 AromaticContact CD2-CG 3.69Å; F49-W109 HydrophobicContact CD2-CG 3.69Å; F49-W109 HydrophobicContact CE2-CB 4.09Å; F49-W109 HydrophobicContact CE2-CD2 4.43Å; F49-W109 HydrophobicContact CE2-CG 4.06Å; F49-W109 HydrophobicContact CG-CE3 4.46Å; F49-W109 VanDerWaalsContact N-CZ3 3.25Å |
| 50 | D | 91 | Very high | 88.2 | Confident | 70 Ų | 70 | 56 Ų | 56 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 175.6 | -176 | 61.1 | 0 | 0 | 0 | 111.8 | P46 M53 Q54 | P46-D50 WeakPolarHBondContact O-CB 3.29Å; P46-D50 PolarHBondContact O-N 2.84Å; D50-M53 PolarHBondContact O-N 2.83Å; D50-M53 VanDerWaalsContact OD1-CE 3.28Å; D50-M53 WeakPolarHBondContact OD1-CE 3.37Å; D50-Q54 WeakPolarHBondContact O-CG 3.49Å; D50-Q54 PolarHBondContact O-N 3.29Å; D50-Q54 PolarHBondContact OD2-NE2 3.24Å |
| 51 | A | 90.6 | Very high | 88.3 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | T47 G48 F49 Q54 L55 P153 R154 C157 | T47-A51 WeakPolarHBondContact O-CB 3.32Å; T47-A51 PolarHBondContact O-N 2.96Å; T47-A51 VanDerWaalsContact O-N 3.1Å; G48-A51 WeakPolarHBondContact O-CB 3.43Å; G48-A51 PolarHBondContact O-N 3.45Å; F49-A51 VanDerWaalsContact C-N 3.26Å; F49-A51 PolarHBondContact O-N 3.23Å; A51-Q54 PolarHBondContact O-N 2.95Å; A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 2.76Å; A51-P153 HydrophobicContact CB-CB 3.97Å; A51-R154 HydrophobicContact CB-CG 4.21Å; A51-C157 WeakPolarHBondContact CA-SG 3.49Å; A51-C157 WeakPolarHBondContact CB-SG 3.26Å |
| 52 | I | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 177.8 | -74.2 | 176.8 | 0 | 0 | 0 | 111.5 | G48 F49 Q54 L55 H56 L108 W109 W112 P153 | G48-I52 PolarHBondContact O-N 3.49Å; F49-I52 PolarHBondContact O-N 2.92Å; F49-I52 VanDerWaalsContact O-N 3.15Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.48Å; I52-L55 PolarHBondContact O-N 3.3Å; I52-H56 WeakPolarHBondContact O-CB 3.3Å; I52-H56 PolarHBondContact O-N 2.94Å; I52-L108 HydrophobicContact CG2-CB 4.19Å; I52-L108 HydrophobicContact CG2-CD2 3.83Å; I52-L108 HydrophobicContact CG2-CG 3.83Å; I52-W109 HydrophobicContact CB-CE3 4.3Å; I52-W109 HydrophobicContact CD1-CE3 3.48Å; I52-W109 VanDerWaalsContact CD1-CE3 3.48Å; I52-W109 HydrophobicContact CD1-CZ3 3.78Å; I52-W109 HydrophobicContact CG1-CE3 4.32Å; I52-W112 HydrophobicContact CD1-CB 3.49Å; I52-W112 VanDerWaalsContact CD1-CB 3.49Å; I52-W112 HydrophobicContact CD1-CD2 4.3Å; I52-W112 HydrophobicContact CD1-CG 3.4Å; I52-W112 VanDerWaalsContact CD1-CG 3.4Å; I52-P153 HydrophobicContact CD1-CB 4.24Å; I52-P153 HydrophobicContact CD1-CG 4.12Å; I52-P153 HydrophobicContact CG1-CB 3.93Å; I52-P153 HydrophobicContact CG1-CG 4.36Å |
| 53 | M | 90.6 | Very high | 88.6 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 39% | 0.394 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 174.5 | -174.6 | 179.4 | 64.8 | 0 | 0 | 111.6 | F49 D50 H56 R57 V105 | F49-M53 WeakPolarHBondContact O-CB 3.4Å; F49-M53 PolarHBondContact O-N 3.31Å; D50-M53 PolarHBondContact O-N 2.83Å; D50-M53 VanDerWaalsContact OD1-CE 3.28Å; D50-M53 WeakPolarHBondContact OD1-CE 3.37Å; M53-H56 PolarHBondContact O-N 3.39Å; M53-R57 WeakPolarHBondContact O-CB 3.23Å; M53-R57 PolarHBondContact O-N 3.38Å; M53-V105 HydrophobicContact CB-CG1 4.21Å; M53-V105 HydrophobicContact CG-CG1 4.35Å |
| 54 | Q | 90.3 | Very high | 88.8 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 27% | 0.271 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 174 | -73.2 | 177.3 | 43.5 | 0 | 0 | 112.4 | D50 A51 I52 Q58 N159 | D50-Q54 WeakPolarHBondContact O-CG 3.49Å; D50-Q54 PolarHBondContact O-N 3.29Å; D50-Q54 PolarHBondContact OD2-NE2 3.24Å; A51-Q54 PolarHBondContact O-N 2.95Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.48Å; Q54-Q58 PolarHBondContact O-N 2.93Å; Q54-N159 PolarHBondContact OE1-ND2 3.46Å |
| 55 | L | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -45.5 | 176.2 | -69.8 | 173.5 | 0 | 0 | 0 | 111.7 | A51 I52 R57 Q58 M59 A156 L183 | A51-L55 WeakPolarHBondContact O-CG 3.4Å; A51-L55 PolarHBondContact O-N 2.76Å; I52-L55 PolarHBondContact O-N 3.3Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.07Å; L55-Q58 WeakPolarHBondContact O-CB 3.37Å; L55-Q58 PolarHBondContact O-N 3.19Å; L55-Q58 VanDerWaalsContact O-N 3.07Å; L55-M59 WeakPolarHBondContact O-CG 3.16Å; L55-M59 PolarHBondContact O-N 3.42Å; L55-A156 HydrophobicContact CD1-CB 3.82Å; L55-A156 HydrophobicContact CD2-CB 4.34Å; L55-L183 HydrophobicContact CD2-CD1 3.83Å |
| 56 | H | 91 | Very high | 89 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.023 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 176.1 | 179.6 | -78 | 0 | 0 | 0 | 110.6 | I52 M53 Q58 M59 D60 V103 V105 L108 | I52-H56 WeakPolarHBondContact O-CB 3.3Å; I52-H56 PolarHBondContact O-N 2.94Å; M53-H56 PolarHBondContact O-N 3.39Å; H56-Q58 PolarHBondContact O-N 3.48Å; H56-Q58 VanDerWaalsContact O-N 3.17Å; H56-M59 WeakPolarHBondContact O-CA 3.48Å; H56-M59 WeakPolarHBondContact O-CB 3.45Å; H56-M59 PolarHBondContact O-N 2.92Å; H56-D60 IonicContact CE1-OD2 3.21Å; H56-D60 WeakPolarHBondContact O-CB 3.38Å; H56-D60 PolarHBondContact O-N 2.92Å; H56-V103 PolarHBondContact NE2-O 2.85Å; H56-V105 HydrophobicContact CB-CG2 4.03Å; H56-V105 VanDerWaalsContact CG-CG2 3.5Å; H56-V105 WeakPolarHBondContact ND1-CG2 3.22Å; H56-L108 HydrophobicContact CB-CD2 4.26Å |
| 57 | R | 89.7 | Confident | 88.9 | Confident | 176 Ų | 176 | 48.5 Ų | 48.5 | 66% | 0.664 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.6 | -24.2 | 176 | -172.7 | 175.4 | -179.5 | 169.3 | 3.7 | 114.5 | M53 L55 L63 | M53-R57 WeakPolarHBondContact O-CB 3.23Å; M53-R57 PolarHBondContact O-N 3.38Å; L55-R57 VanDerWaalsContact C-N 3.31Å; L55-R57 PolarHBondContact O-N 3.07Å; R57-L63 HydrophobicContact CG-CD2 4.1Å |
| 58 | Q | 86.8 | Confident | 89 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 27% | 0.271 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -80 | -24.1 | 174.5 | -168.4 | -173.3 | -9.5 | 0 | 0 | 111.9 | Q54 L55 H56 F75 | Q54-Q58 PolarHBondContact O-N 2.93Å; L55-Q58 WeakPolarHBondContact O-CB 3.37Å; L55-Q58 PolarHBondContact O-N 3.19Å; L55-Q58 VanDerWaalsContact O-N 3.07Å; H56-Q58 PolarHBondContact O-N 3.48Å; H56-Q58 VanDerWaalsContact O-N 3.17Å; Q58-F75 HydrophobicContact CG-CE2 4.02Å |
| 59 | M | 86.5 | Confident | 88.7 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -90.1 | -32.5 | 178.6 | -64 | 177 | 57 | 0 | 0 | 112.1 | L55 H56 D61 V67 F75 F95 L187 | L55-M59 WeakPolarHBondContact O-CG 3.16Å; L55-M59 PolarHBondContact O-N 3.42Å; H56-M59 WeakPolarHBondContact O-CA 3.48Å; H56-M59 WeakPolarHBondContact O-CB 3.45Å; H56-M59 PolarHBondContact O-N 2.92Å; M59-D61 PolarHBondContact O-N 3.33Å; M59-D61 VanDerWaalsContact O-N 3.13Å; M59-V67 HydrophobicContact CB-CG1 4.21Å; M59-V67 HydrophobicContact CB-CG2 3.72Å; M59-V67 HydrophobicContact CE-CG1 4.17Å; M59-F75 HydrophobicContact CB-CG 4.46Å; M59-F75 HydrophobicContact CE-CD1 4.06Å; M59-F75 HydrophobicContact CG-CB 4.42Å; M59-F75 HydrophobicContact CG-CD1 3.61Å; M59-F75 HydrophobicContact CG-CD2 3.85Å; M59-F75 HydrophobicContact CG-CE1 3.67Å; M59-F75 HydrophobicContact CG-CE2 3.93Å; M59-F75 HydrophobicContact CG-CG 3.69Å; M59-F75 HydrophobicContact CG-CZ 3.84Å; M59-F75 HydrophobicContact SD-CD1 3.95Å; M59-F75 HydrophobicContact SD-CE1 3.87Å; M59-F75 HydrophobicContact SD-CZ 4.47Å; M59-F95 HydrophobicContact CE-CE1 3.94Å; M59-F95 HydrophobicContact CE-CE2 3.72Å; M59-F95 HydrophobicContact CE-CZ 3.37Å; M59-F95 HydrophobicContact SD-CE2 4.49Å; M59-F95 HydrophobicContact SD-CZ 4.4Å; M59-L187 HydrophobicContact CE-CD1 4.44Å; M59-L187 HydrophobicContact SD-CD1 3.86Å; M59-L187 HydrophobicContact SD-CD2 4.05Å |
| 60 | D | 90 | Very high | 88.5 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | trans | -79.3 | 81.7 | 177.4 | -176.4 | 4.5 | 0 | 0 | 0 | 109.5 | H56 D62 L63 S64 G65 V67 | H56-D60 IonicContact CE1-OD2 3.21Å; H56-D60 WeakPolarHBondContact O-CB 3.38Å; H56-D60 PolarHBondContact O-N 2.92Å; D60-D62 VanDerWaalsContact C-N 3.31Å; D60-L63 PolarHBondContact O-N 2.89Å; D60-L63 VanDerWaalsContact OD1-CA 3.23Å; D60-L63 WeakPolarHBondContact OD1-CA 2.9Å; D60-L63 PolarHBondContact OD1-N 2.97Å; D60-S64 PolarHBondContact OD1-N 3.41Å; D60-G65 VanDerWaalsContact OD2-CA 3.27Å; D60-G65 WeakPolarHBondContact OD2-CA 3.26Å; D60-G65 PolarHBondContact OD2-N 2.79Å; D60-V67 HydrophobicContact CB-CG2 4.03Å | ||
| 61 | D | 86.2 | Confident | 88.3 | Confident | 116 Ų | 116 | 51.3 Ų | 51.3 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -67.6 | -32.2 | -176.8 | -82.7 | -23.3 | 0 | 0 | 0 | 111.6 | M59 E71 | M59-D61 PolarHBondContact O-N 3.33Å; M59-D61 VanDerWaalsContact O-N 3.13Å; D61-E71 PolarHBondContact N-OE1 3.49Å |
| 62 | D | 88.9 | Confident | 88.1 | Confident | 101 Ų | 101 | 51.4 Ų | 51.4 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -89.4 | -5.8 | 179.7 | 80.5 | -3.9 | 0 | 0 | 0 | 114.5 | D60 S64 E71 | D60-D62 VanDerWaalsContact C-N 3.31Å; D62-S64 PolarHBondContact O-N 2.76Å; D62-S64 WeakPolarHBondContact OD1-CB 3.12Å; D62-S64 PolarHBondContact OD1-N 3.35Å; D62-S64 PolarHBondContact OD1-OG 2.91Å; D62-E71 PolarHBondContact N-OE1 3.05Å |
| 63 | L | 86.9 | Confident | 87.8 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 60% | 0.597 | 28% | 0.282 | S | S | * | . | trans | 56.9 | 30.9 | -179 | -56.7 | 172.9 | 0 | 0 | 0 | 112.7 | R57 D60 G65 | R57-L63 HydrophobicContact CG-CD2 4.1Å; D60-L63 PolarHBondContact O-N 2.89Å; D60-L63 VanDerWaalsContact OD1-CA 3.23Å; D60-L63 WeakPolarHBondContact OD1-CA 2.9Å; D60-L63 PolarHBondContact OD1-N 2.97Å; L63-G65 PolarHBondContact O-N 3.06Å | ||
| 64 | S | 89.1 | Confident | 87.6 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -70.1 | -16.9 | 177.9 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | D60 D62 S66 | D60-S64 PolarHBondContact OD1-N 3.41Å; D62-S64 PolarHBondContact O-N 2.76Å; D62-S64 WeakPolarHBondContact OD1-CB 3.12Å; D62-S64 PolarHBondContact OD1-N 3.35Å; D62-S64 PolarHBondContact OD1-OG 2.91Å; S64-S66 PolarHBondContact OG-N 3.48Å; S64-S66 PolarHBondContact OG-O 2.92Å; S64-S66 PolarHBondContact OG-OG 3.31Å |
| 65 | G | 85.5 | Confident | 87.3 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 89.8 | 3.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D60 L63 | D60-G65 VanDerWaalsContact OD2-CA 3.27Å; D60-G65 WeakPolarHBondContact OD2-CA 3.26Å; D60-G65 PolarHBondContact OD2-N 2.79Å; L63-G65 PolarHBondContact O-N 3.06Å |
| 66 | S | 89.1 | Confident | 87 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 132.7 | 178.4 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | S64 V103 | S64-S66 PolarHBondContact OG-N 3.48Å; S64-S66 PolarHBondContact OG-O 2.92Å; S64-S66 PolarHBondContact OG-OG 3.31Å; S66-V103 WeakPolarHBondContact CA-O 3.01Å |
| 67 | V | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.6 | 178.9 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | M59 D60 E71 F95 Y102 V103 | M59-V67 HydrophobicContact CB-CG1 4.21Å; M59-V67 HydrophobicContact CB-CG2 3.72Å; M59-V67 HydrophobicContact CE-CG1 4.17Å; D60-V67 HydrophobicContact CB-CG2 4.03Å; V67-E71 WeakPolarHBondContact CA-OE2 3.41Å; V67-E71 HydrophobicContact CG1-CB 3.9Å; V67-F95 HydrophobicContact CB-CE1 4.39Å; V67-F95 HydrophobicContact CG1-CE1 4.2Å; V67-Y102 WeakPolarHBondContact O-CA 3.36Å; V67-V103 PolarHBondContact N-O 3.17Å; V67-V103 PolarHBondContact O-N 3.48Å |
| 68 | D | 88.3 | Confident | 86.2 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 176.8 | 177.8 | 83.1 | 15.3 | 0 | 0 | 0 | 113.4 | N70 E71 S72 E101 Y102 | D68-N70 VanDerWaalsContact C-N 3.31Å; D68-N70 PolarHBondContact O-N 2.98Å; D68-N70 WeakPolarHBondContact OD1-CA 3.43Å; D68-N70 WeakPolarHBondContact OD1-CB 3.31Å; D68-N70 PolarHBondContact OD1-N 2.91Å; D68-E71 PolarHBondContact N-OE2 3.47Å; D68-E71 WeakPolarHBondContact OD1-CB 3.19Å; D68-E71 WeakPolarHBondContact OD1-CG 3.43Å; D68-E71 PolarHBondContact OD1-N 3.37Å; D68-S72 WeakPolarHBondContact O-CB 3.38Å; D68-S72 PolarHBondContact O-N 3.4Å; D68-S72 VanDerWaalsContact O-N 3.14Å; D68-S72 PolarHBondContact O-OG 2.93Å; D68-E101 WeakPolarHBondContact CA-O 3.48Å; D68-Y102 HydrophobicContact CB-CD1 4.12Å; D68-Y102 HydrophobicContact CB-CE1 4.08Å |
| 69 | L | 84.6 | Confident | 85.8 | Confident | 50 Ų | 50 | 53.8 Ų | 53.8 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 176.9 | -69 | 129.4 | 0 | 0 | 0 | 112.9 | S72 I73 Q92 E101 | L69-S72 WeakPolarHBondContact CA-OG 3.35Å; L69-S72 PolarHBondContact O-OG 3.44Å; L69-I73 WeakPolarHBondContact O-CB 3.48Å; L69-I73 WeakPolarHBondContact O-CD1 3.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 2.91Å; L69-I73 VanDerWaalsContact O-N 3.13Å; L69-Q92 HydrophobicContact CD2-CG 4.44Å; L69-E101 HydrophobicContact CD1-CB 4.23Å; L69-E101 HydrophobicContact CD1-CG 3.73Å |
| 70 | N | 85 | Confident | 85.2 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -75 | -46.7 | -175 | -79.1 | 42 | 0 | 0 | 0 | 110.9 | D68 I73 V74 | D68-N70 VanDerWaalsContact C-N 3.31Å; D68-N70 PolarHBondContact O-N 2.98Å; D68-N70 WeakPolarHBondContact OD1-CA 3.43Å; D68-N70 WeakPolarHBondContact OD1-CB 3.31Å; D68-N70 PolarHBondContact OD1-N 2.91Å; N70-I73 PolarHBondContact O-N 3.36Å; N70-V74 WeakPolarHBondContact O-CB 3.24Å; N70-V74 VanDerWaalsContact O-CG2 3.22Å; N70-V74 WeakPolarHBondContact O-CG2 3.44Å; N70-V74 PolarHBondContact O-N 3.43Å |
| 71 | E | 88 | Confident | 84.3 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.2 | -50.4 | 175.3 | -70.6 | 179 | 148.6 | 0 | 0 | 111.1 | D61 D62 V67 D68 I73 V74 F75 | D61-E71 PolarHBondContact N-OE1 3.49Å; D62-E71 PolarHBondContact N-OE1 3.05Å; V67-E71 WeakPolarHBondContact CA-OE2 3.41Å; V67-E71 HydrophobicContact CG1-CB 3.9Å; D68-E71 PolarHBondContact N-OE2 3.47Å; D68-E71 WeakPolarHBondContact OD1-CB 3.19Å; D68-E71 WeakPolarHBondContact OD1-CG 3.43Å; D68-E71 PolarHBondContact OD1-N 3.37Å; E71-I73 VanDerWaalsContact C-N 3.31Å; E71-I73 PolarHBondContact O-N 3.5Å; E71-V74 PolarHBondContact O-N 3.26Å; E71-F75 VanDerWaalsContact O-CB 3.3Å; E71-F75 WeakPolarHBondContact O-CB 3.28Å; E71-F75 PolarHBondContact O-N 2.93Å |
| 72 | S | 86.5 | Confident | 83.6 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 176.4 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | D68 L69 V76 H96 | D68-S72 WeakPolarHBondContact O-CB 3.38Å; D68-S72 PolarHBondContact O-N 3.4Å; D68-S72 VanDerWaalsContact O-N 3.14Å; D68-S72 PolarHBondContact O-OG 2.93Å; L69-S72 WeakPolarHBondContact CA-OG 3.35Å; L69-S72 PolarHBondContact O-OG 3.44Å; S72-V76 WeakPolarHBondContact O-CB 3.42Å; S72-V76 WeakPolarHBondContact O-CG2 3.2Å; S72-V76 PolarHBondContact O-N 2.89Å; S72-H96 PolarHBondContact OG-NE2 3.26Å |
| 73 | I | 84.5 | Confident | 82.2 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 175.2 | -73.1 | 164.5 | 0 | 0 | 0 | 111.4 | L69 N70 E71 V76 K77 L88 Q92 | L69-I73 WeakPolarHBondContact O-CB 3.48Å; L69-I73 WeakPolarHBondContact O-CD1 3.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 2.91Å; L69-I73 VanDerWaalsContact O-N 3.13Å; N70-I73 PolarHBondContact O-N 3.36Å; E71-I73 VanDerWaalsContact C-N 3.31Å; E71-I73 PolarHBondContact O-N 3.5Å; I73-V76 PolarHBondContact O-N 2.93Å; I73-K77 WeakPolarHBondContact O-CB 3.39Å; I73-K77 PolarHBondContact O-N 2.81Å; I73-L88 HydrophobicContact CG2-CD2 4.14Å; I73-Q92 HydrophobicContact CG1-CG 4.24Å |
| 74 | V | 85.6 | Confident | 81.4 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 179.2 | 169.5 | 0 | 0 | 0 | 0 | 109.1 | N70 E71 V76 K77 E78 | N70-V74 WeakPolarHBondContact O-CB 3.24Å; N70-V74 VanDerWaalsContact O-CG2 3.22Å; N70-V74 WeakPolarHBondContact O-CG2 3.44Å; N70-V74 PolarHBondContact O-N 3.43Å; E71-V74 PolarHBondContact O-N 3.26Å; V74-V76 PolarHBondContact O-N 2.95Å; V74-K77 WeakPolarHBondContact O-CB 3.41Å; V74-K77 PolarHBondContact O-N 3.43Å; V74-K77 VanDerWaalsContact O-N 3.1Å; V74-E78 HydrophobicContact CG1-CG 4.28Å; V74-E78 WeakPolarHBondContact O-CB 3.49Å; V74-E78 WeakPolarHBondContact O-CG 3.31Å; V74-E78 PolarHBondContact O-N 3.29Å |
| 75 | F | 84.7 | Confident | 80.4 | Confident | 16 Ų | 16 | 64 Ų | 64 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 177.2 | -176.4 | -101.3 | 0 | 0 | 0 | 112.9 | Q58 M59 E71 K77 E78 E79 L183 L187 | Q58-F75 HydrophobicContact CG-CE2 4.02Å; M59-F75 HydrophobicContact CB-CG 4.46Å; M59-F75 HydrophobicContact CE-CD1 4.06Å; M59-F75 HydrophobicContact CG-CB 4.42Å; M59-F75 HydrophobicContact CG-CD1 3.61Å; M59-F75 HydrophobicContact CG-CD2 3.85Å; M59-F75 HydrophobicContact CG-CE1 3.67Å; M59-F75 HydrophobicContact CG-CE2 3.93Å; M59-F75 HydrophobicContact CG-CG 3.69Å; M59-F75 HydrophobicContact CG-CZ 3.84Å; M59-F75 HydrophobicContact SD-CD1 3.95Å; M59-F75 HydrophobicContact SD-CE1 3.87Å; M59-F75 HydrophobicContact SD-CZ 4.47Å; E71-F75 VanDerWaalsContact O-CB 3.3Å; E71-F75 WeakPolarHBondContact O-CB 3.28Å; E71-F75 PolarHBondContact O-N 2.93Å; F75-K77 VanDerWaalsContact C-N 3.28Å; F75-K77 PolarHBondContact O-N 3.48Å; F75-E78 PolarHBondContact O-N 3.39Å; F75-E79 HydrophobicContact CD2-CB 4.13Å; F75-E79 HydrophobicContact CE1-CB 4.45Å; F75-E79 HydrophobicContact CE2-CB 3.84Å; F75-E79 HydrophobicContact CE2-CG 3.96Å; F75-E79 HydrophobicContact CZ-CB 4.02Å; F75-E79 HydrophobicContact CZ-CG 3.93Å; F75-E79 WeakPolarHBondContact O-CB 3.41Å; F75-E79 PolarHBondContact O-N 2.96Å; F75-L183 HydrophobicContact CE1-CD1 4.29Å; F75-L183 HydrophobicContact CE1-CD2 3.98Å; F75-L183 HydrophobicContact CZ-CD1 3.96Å; F75-L183 HydrophobicContact CZ-CD2 4.39Å; F75-L187 HydrophobicContact CE1-CD1 3.96Å |
| 76 | V | 82.5 | Confident | 79.4 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 112.5 | S72 I73 V74 L80 I82 L88 F188 | S72-V76 WeakPolarHBondContact O-CB 3.42Å; S72-V76 WeakPolarHBondContact O-CG2 3.2Å; S72-V76 PolarHBondContact O-N 2.89Å; I73-V76 PolarHBondContact O-N 2.93Å; V74-V76 PolarHBondContact O-N 2.95Å; V76-L80 HydrophobicContact CB-CD1 4.43Å; V76-L80 HydrophobicContact CG1-CD1 4.32Å; V76-L80 HydrophobicContact CG2-CD1 4.06Å; V76-L80 WeakPolarHBondContact O-CB 3.36Å; V76-I82 HydrophobicContact CG1-CD1 3.75Å; V76-L88 HydrophobicContact CB-CD1 3.84Å; V76-L88 HydrophobicContact CG1-CD1 3.46Å; V76-L88 VanDerWaalsContact CG1-CD1 3.46Å; V76-F188 HydrophobicContact CG2-CE1 4.33Å; V76-F188 HydrophobicContact CG2-CE2 4.35Å; V76-F188 HydrophobicContact CG2-CZ 3.52Å |
| 77 | K | 82.4 | Confident | 78.7 | Confident | 124 Ų | 124 | 70.8 Ų | 70.8 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.1 | -44.1 | 177.9 | -172.1 | -176 | 175 | -164.7 | 0 | 111.3 | I73 V74 F75 H81 | I73-K77 WeakPolarHBondContact O-CB 3.39Å; I73-K77 PolarHBondContact O-N 2.81Å; V74-K77 WeakPolarHBondContact O-CB 3.41Å; V74-K77 PolarHBondContact O-N 3.43Å; V74-K77 VanDerWaalsContact O-N 3.1Å; F75-K77 VanDerWaalsContact C-N 3.28Å; F75-K77 PolarHBondContact O-N 3.48Å; K77-H81 WeakPolarHBondContact O-CA 3.28Å; K77-H81 PolarHBondContact O-N 3.42Å |
| 78 | E | 80.8 | Confident | 78 | Confident | 132 Ų | 132 | 72.2 Ų | 72.2 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -83.8 | -50.9 | -172.5 | -66.7 | -175 | 178.6 | 0 | 0 | 112.5 | V74 F75 H81 | V74-E78 HydrophobicContact CG1-CG 4.28Å; V74-E78 WeakPolarHBondContact O-CB 3.49Å; V74-E78 WeakPolarHBondContact O-CG 3.31Å; V74-E78 PolarHBondContact O-N 3.29Å; F75-E78 PolarHBondContact O-N 3.39Å; E78-H81 PolarHBondContact O-CE1 2.76Å; E78-H81 VanDerWaalsContact O-CE1 3.3Å; E78-H81 PolarHBondContact O-ND1 2.95Å |
| 79 | E | 79.4 | Confident | 77.4 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -45.9 | -175.5 | -166.6 | 68.2 | -168 | 0 | 0 | 111 | F75 H81 L180 | F75-E79 HydrophobicContact CD2-CB 4.13Å; F75-E79 HydrophobicContact CE1-CB 4.45Å; F75-E79 HydrophobicContact CE2-CB 3.84Å; F75-E79 HydrophobicContact CE2-CG 3.96Å; F75-E79 HydrophobicContact CZ-CB 4.02Å; F75-E79 HydrophobicContact CZ-CG 3.93Å; F75-E79 WeakPolarHBondContact O-CB 3.41Å; F75-E79 PolarHBondContact O-N 2.96Å; E79-H81 PolarHBondContact O-ND1 3.39Å; E79-L180 HydrophobicContact CG-CD2 4.22Å; E79-L180 VanDerWaalsContact O-CD2 3.24Å; E79-L180 WeakPolarHBondContact O-CD2 3.41Å |
| 80 | L | 74.3 | Confident | 77.1 | Confident | 20 Ų | 20 | 74.7 Ų | 74.7 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -87.8 | -3.3 | -176.3 | -74.9 | 155.6 | 0 | 0 | 0 | 114.4 | V76 I82 L180 L183 D184 F188 | V76-L80 HydrophobicContact CB-CD1 4.43Å; V76-L80 HydrophobicContact CG1-CD1 4.32Å; V76-L80 HydrophobicContact CG2-CD1 4.06Å; V76-L80 WeakPolarHBondContact O-CB 3.36Å; L80-I82 VanDerWaalsContact C-N 3.26Å; L80-I82 HydrophobicContact CB-CD1 3.52Å; L80-I82 HydrophobicContact CB-CG1 4.36Å; L80-I82 HydrophobicContact CD1-CD1 4.43Å; L80-I82 HydrophobicContact CG-CD1 4.46Å; L80-I82 WeakPolarHBondContact O-CG1 3.36Å; L80-I82 PolarHBondContact O-N 3.28Å; L80-L180 HydrophobicContact CD2-CD2 4.49Å; L80-L183 HydrophobicContact CD1-CD2 3.62Å; L80-L183 HydrophobicContact CD2-CD2 3.65Å; L80-L183 HydrophobicContact CG-CD2 3.66Å; L80-D184 HydrophobicContact CD2-CB 3.99Å; L80-F188 HydrophobicContact CD1-CE2 3.67Å; L80-F188 HydrophobicContact CD1-CZ 4.22Å |
| 81 | H | 70.9 | Confident | 76.8 | Confident | 133 Ų | 133 | 70.5 Ų | 70.5 | 62% | 0.616 | 33% | 0.331 | S | S | * | . | trans | 52.2 | 37.6 | 175.4 | -63.3 | 76 | 0 | 0 | 0 | 114.3 | K77 E78 E79 | K77-H81 WeakPolarHBondContact O-CA 3.28Å; K77-H81 PolarHBondContact O-N 3.42Å; E78-H81 PolarHBondContact O-CE1 2.76Å; E78-H81 VanDerWaalsContact O-CE1 3.3Å; E78-H81 PolarHBondContact O-ND1 2.95Å; E79-H81 PolarHBondContact O-ND1 3.39Å | ||
| 82 | I | 70 | Confident | 76.4 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | trans | -98.5 | 98.9 | 178 | -60.1 | 137.3 | 0 | 0 | 0 | 109.2 | V76 L80 R87 R91 | V76-I82 HydrophobicContact CG1-CD1 3.75Å; L80-I82 VanDerWaalsContact C-N 3.26Å; L80-I82 HydrophobicContact CB-CD1 3.52Å; L80-I82 HydrophobicContact CB-CG1 4.36Å; L80-I82 HydrophobicContact CD1-CD1 4.43Å; L80-I82 HydrophobicContact CG-CD1 4.46Å; L80-I82 WeakPolarHBondContact O-CG1 3.36Å; L80-I82 PolarHBondContact O-N 3.28Å; I82-R87 HydrophobicContact CG2-CB 3.6Å; I82-R91 VanDerWaalsContact CG1-NH1 3.32Å | ||
| 83 | E | 61.2 | Low | 76 | Confident | 171 Ų | 171 | 81.1 Ų | 81.1 | 80% | 0.799 | 37% | 0.372 | S | S | * | . | trans | -84.3 | -18.4 | 177.6 | -60.9 | -172.2 | 158.6 | 0 | 0 | 113.4 | K85 | E83-K85 PolarHBondContact O-N 3.44Å; E83-K85 VanDerWaalsContact O-N 3.12Å | ||
| 84 | E | 68.3 | Low | 75.8 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | trans | -68.9 | 110.9 | -178.4 | -76.5 | 178.7 | -154.3 | 0 | 0 | 111.7 | D86 R87 L88 | E84-D86 PolarHBondContact O-N 3.04Å; E84-D86 VanDerWaalsContact O-N 3.12Å; E84-R87 HydrophobicContact CB-CB 4.06Å; E84-R87 HydrophobicContact CB-CG 4.07Å; E84-R87 PolarHBondContact O-N 2.93Å; E84-R87 WeakPolarHBondContact OE2-CD 3.43Å; E84-R87 WeakPolarHBondContact OE2-CG 3.34Å; E84-L88 PolarHBondContact O-N 3.49Å | ||
| 85 | K | 68 | Low | 75.5 | Confident | 178 Ų | 178 | 77.3 Ų | 77.3 | 77% | 0.774 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -48.1 | -42.6 | 179.1 | -66 | -175.5 | 177.8 | -177.9 | 0 | 113.3 | E83 R87 L88 A89 | E83-K85 PolarHBondContact O-N 3.44Å; E83-K85 VanDerWaalsContact O-N 3.12Å; K85-R87 PolarHBondContact O-N 2.98Å; K85-L88 PolarHBondContact O-N 3.37Å; K85-A89 WeakPolarHBondContact O-CB 3.25Å; K85-A89 PolarHBondContact O-N 3.27Å |
| 86 | D | 66.2 | Low | 75.4 | Confident | 115 Ų | 115 | 77 Ų | 77 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.4 | -34.3 | -178.2 | -71.9 | -4.7 | 0 | 0 | 0 | 112.7 | E84 R90 | E84-D86 PolarHBondContact O-N 3.04Å; E84-D86 VanDerWaalsContact O-N 3.12Å; D86-R90 VanDerWaalsContact O-CG 3.32Å; D86-R90 WeakPolarHBondContact O-CG 3.48Å; D86-R90 PolarHBondContact O-N 3.04Å; D86-R90 PolarHBondContact O-NE 3.46Å; D86-R90 PolarHBondContact O-NH1 3.26Å |
| 87 | R | 72.6 | Confident | 74.8 | Confident | 90 Ų | 90 | 81.6 Ų | 81.6 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -74.8 | -38.6 | 176 | -71.6 | -179 | 68.5 | -164.8 | 0.3 | 110.8 | I82 E84 K85 R90 R91 | I82-R87 HydrophobicContact CG2-CB 3.6Å; E84-R87 HydrophobicContact CB-CB 4.06Å; E84-R87 HydrophobicContact CB-CG 4.07Å; E84-R87 PolarHBondContact O-N 2.93Å; E84-R87 WeakPolarHBondContact OE2-CD 3.43Å; E84-R87 WeakPolarHBondContact OE2-CG 3.34Å; K85-R87 PolarHBondContact O-N 2.98Å; R87-R90 PolarHBondContact O-N 2.87Å; R87-R91 WeakPolarHBondContact O-CB 3.36Å; R87-R91 WeakPolarHBondContact O-CG 3.39Å; R87-R91 PolarHBondContact O-N 3.36Å |
| 88 | L | 74.7 | Confident | 74 | Confident | 30 Ų | 30 | 82 Ų | 82 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 175.7 | -173.8 | 64.1 | 0 | 0 | 0 | 110.9 | I73 V76 E84 K85 R90 R91 Q92 | I73-L88 HydrophobicContact CG2-CD2 4.14Å; V76-L88 HydrophobicContact CB-CD1 3.84Å; V76-L88 HydrophobicContact CG1-CD1 3.46Å; V76-L88 VanDerWaalsContact CG1-CD1 3.46Å; E84-L88 PolarHBondContact O-N 3.49Å; K85-L88 PolarHBondContact O-N 3.37Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.38Å; L88-R91 PolarHBondContact O-N 2.9Å; L88-R91 VanDerWaalsContact O-N 3.08Å; L88-Q92 WeakPolarHBondContact O-CB 3.48Å; L88-Q92 PolarHBondContact O-N 3.44Å |
| 89 | A | 75.6 | Confident | 73.3 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -37 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K85 R93 | K85-A89 WeakPolarHBondContact O-CB 3.25Å; K85-A89 PolarHBondContact O-N 3.27Å; A89-R93 WeakPolarHBondContact O-CG 3.47Å; A89-R93 PolarHBondContact O-N 3.48Å; A89-R93 VanDerWaalsContact O-N 3.12Å |
| 90 | R | 77.9 | Confident | 73.2 | Confident | 114 Ų | 114 | 85 Ų | 85 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.2 | -36.7 | 175.7 | -77.5 | -172.3 | -64.4 | -93 | 3.8 | 112.9 | D86 R87 L88 A94 | D86-R90 VanDerWaalsContact O-CG 3.32Å; D86-R90 WeakPolarHBondContact O-CG 3.48Å; D86-R90 PolarHBondContact O-N 3.04Å; D86-R90 PolarHBondContact O-NE 3.46Å; D86-R90 PolarHBondContact O-NH1 3.26Å; R87-R90 PolarHBondContact O-N 2.87Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.38Å; R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 3.5Å |
| 91 | R | 79.3 | Confident | 73.5 | Confident | 28 Ų | 28 | 89.1 Ų | 89.1 | 11% | 0.106 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -74.2 | -41.7 | 178.1 | -80.3 | -171.8 | 177.6 | 108.2 | -15.6 | 111.6 | I82 R87 L88 R93 A94 F95 D184 F188 | I82-R91 VanDerWaalsContact CG1-NH1 3.32Å; R87-R91 WeakPolarHBondContact O-CB 3.36Å; R87-R91 WeakPolarHBondContact O-CG 3.39Å; R87-R91 PolarHBondContact O-N 3.36Å; L88-R91 PolarHBondContact O-N 2.9Å; L88-R91 VanDerWaalsContact O-N 3.08Å; R91-R93 PolarHBondContact O-N 2.87Å; R91-A94 CarbonylContact O-C 3.59Å; R91-A94 WeakPolarHBondContact O-CA 3.39Å; R91-A94 WeakPolarHBondContact O-CB 3.26Å; R91-A94 PolarHBondContact O-N 3.31Å; R91-F95 PolarHBondContact O-N 3.35Å; R91-D184 IonicContact CZ-OD1 3.68Å; R91-D184 IonicContact CZ-OD2 2.67Å; R91-D184 IonicContact NE-OD1 3.62Å; R91-D184 PolarHBondContact NE-OD1 3.31Å; R91-D184 IonicContact NH2-OD1 3.97Å; R91-D184 PolarHBondContact NH2-OD1 3.23Å; R91-D184 VanDerWaalsContact NH2-OD1 3.16Å; R91-D184 IonicContact NH2-OD2 3.64Å; R91-D184 PolarHBondContact NH2-OD2 3.47Å; R91-F188 HydrophobicContact CB-CD1 3.7Å; R91-F188 HydrophobicContact CB-CE1 3.56Å; R91-F188 HydrophobicContact CB-CE2 4.45Å; R91-F188 HydrophobicContact CB-CG 4.22Å; R91-F188 HydrophobicContact CB-CZ 3.99Å; R91-F188 HydrophobicContact CG-CD1 3.89Å; R91-F188 HydrophobicContact CG-CD2 4.06Å; R91-F188 HydrophobicContact CG-CE1 4.1Å; R91-F188 HydrophobicContact CG-CE2 4.27Å; R91-F188 HydrophobicContact CG-CG 3.88Å; R91-F188 HydrophobicContact CG-CZ 4.3Å; R91-F188 VanDerWaalsContact O-CD1 3.3Å; R91-F188 WeakPolarHBondContact O-CD1 3.47Å; R91-F188 WeakPolarHBondContact O-CE1 3.27Å |
| 92 | Q | 79 | Confident | 74.2 | Confident | 56 Ų | 56 | 88.8 Ų | 88.8 | 26% | 0.262 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 173.3 | -174.3 | -174.7 | -11.9 | 0 | 0 | 111.5 | L69 I73 L88 A94 F95 H96 | L69-Q92 HydrophobicContact CD2-CG 4.44Å; I73-Q92 HydrophobicContact CG1-CG 4.24Å; L88-Q92 WeakPolarHBondContact O-CB 3.48Å; L88-Q92 PolarHBondContact O-N 3.44Å; Q92-A94 PolarHBondContact O-N 2.93Å; Q92-F95 PolarHBondContact O-N 2.94Å; Q92-F95 VanDerWaalsContact O-N 3.12Å; Q92-H96 PolarHBondContact O-N 2.95Å |
| 93 | R | 79 | Confident | 74.9 | Confident | 189 Ų | 189 | 88.9 Ų | 88.9 | 71% | 0.713 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64 | -24.4 | 174.3 | -70.8 | 178.3 | -169.6 | 159.3 | 4.3 | 114.1 | A89 R91 | A89-R93 WeakPolarHBondContact O-CG 3.47Å; A89-R93 PolarHBondContact O-N 3.48Å; A89-R93 VanDerWaalsContact O-N 3.12Å; R91-R93 PolarHBondContact O-N 2.87Å |
| 94 | A | 79.6 | Confident | 76.2 | Confident | 10 Ų | 10 | 82.6 Ų | 82.6 | 8% | 0.083 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -86.6 | -15.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R90 R91 Q92 R111 F188 | R90-A94 WeakPolarHBondContact O-CB 3.35Å; R90-A94 PolarHBondContact O-N 3.5Å; R91-A94 CarbonylContact O-C 3.59Å; R91-A94 WeakPolarHBondContact O-CA 3.39Å; R91-A94 WeakPolarHBondContact O-CB 3.26Å; R91-A94 PolarHBondContact O-N 3.31Å; Q92-A94 PolarHBondContact O-N 2.93Å; A94-R111 PolarHBondContact O-NE 3.41Å; A94-R111 VanDerWaalsContact O-NE 3.1Å; A94-R111 PolarHBondContact O-NH2 3.48Å; A94-F188 HydrophobicContact CB-CD1 4.31Å |
| 95 | F | 79.7 | Confident | 77.3 | Confident | 7 Ų | 7 | 78.6 Ų | 78.6 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -90.5 | -50.1 | 173.8 | -171.6 | -103.6 | 0 | 0 | 0 | 110 | M59 V67 R91 Q92 E97 V103 L108 L187 F188 | M59-F95 HydrophobicContact CE-CE1 3.94Å; M59-F95 HydrophobicContact CE-CE2 3.72Å; M59-F95 HydrophobicContact CE-CZ 3.37Å; M59-F95 HydrophobicContact SD-CE2 4.49Å; M59-F95 HydrophobicContact SD-CZ 4.4Å; V67-F95 HydrophobicContact CB-CE1 4.39Å; V67-F95 HydrophobicContact CG1-CE1 4.2Å; R91-F95 PolarHBondContact O-N 3.35Å; Q92-F95 PolarHBondContact O-N 2.94Å; Q92-F95 VanDerWaalsContact O-N 3.12Å; F95-E97 PolarHBondContact O-N 3.5Å; F95-V103 HydrophobicContact CD1-CG2 3.97Å; F95-V103 HydrophobicContact CE1-CB 3.79Å; F95-V103 HydrophobicContact CE1-CG1 4.08Å; F95-V103 HydrophobicContact CE1-CG2 3.65Å; F95-V103 HydrophobicContact CZ-CB 4.08Å; F95-V103 HydrophobicContact CZ-CG1 3.89Å; F95-V103 HydrophobicContact CZ-CG2 4.3Å; F95-L108 HydrophobicContact CE2-CD1 3.82Å; F95-L187 HydrophobicContact CD2-CB 4.45Å; F95-L187 HydrophobicContact CE2-CD2 4.08Å; F95-F188 HydrophobicContact CB-CD1 4.38Å; F95-F188 HydrophobicContact CB-CE1 3.98Å |
| 96 | H | 82.5 | Confident | 78.2 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 5% | 0.046 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -88.4 | 71.1 | 173.7 | -61.7 | -73.2 | 0 | 0 | 0 | 110.4 | S72 Q92 D100 | S72-H96 PolarHBondContact OG-NE2 3.26Å; Q92-H96 PolarHBondContact O-N 2.95Å; H96-D100 WeakPolarHBondContact CB-O 3.49Å; H96-D100 PolarHBondContact ND1-O 3.25Å |
| 97 | E | 69.5 | Low | 79.3 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -63.9 | 147.2 | 171 | -169.1 | 164.4 | 178.1 | 0 | 0 | 109.5 | F95 N99 D100 R111 | F95-E97 PolarHBondContact O-N 3.5Å; E97-N99 VanDerWaalsContact C-N 3.25Å; E97-N99 PolarHBondContact O-N 3.39Å; E97-N99 VanDerWaalsContact O-N 3.16Å; E97-D100 PolarHBondContact O-N 3.49Å; E97-R111 IonicContact OE2-CZ 3.23Å; E97-R111 VanDerWaalsContact OE2-CZ 3.23Å; E97-R111 IonicContact OE2-NH1 3.45Å; E97-R111 PolarHBondContact OE2-NH1 3.36Å; E97-R111 IonicContact OE2-NH2 2.66Å; E97-R111 PolarHBondContact OE2-NH2 2.99Å |
| 98 | N | 66.6 | Low | 80 | Confident | 133 Ų | 133 | 69.2 Ų | 69.2 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | 62.8 | 12.4 | -178.4 | -59.2 | -23.7 | 0 | 0 | 0 | 118.3 | D100 | N98-D100 VanDerWaalsContact C-N 3.3Š|
| 99 | N | 64.6 | Low | 80.7 | Confident | 157 Ų | 157 | 67.8 Ų | 67.8 | 84% | 0.84 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | 65.3 | 29.7 | -174.8 | -53.1 | -45.6 | 0 | 0 | 0 | 113.7 | E97 E101 | E97-N99 VanDerWaalsContact C-N 3.25Å; E97-N99 PolarHBondContact O-N 3.39Å; E97-N99 VanDerWaalsContact O-N 3.16Å; N99-E101 PolarHBondContact O-N 3.01Å |
| 100 | D | 78.1 | Confident | 81.2 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | trans | -65.3 | 131.3 | 169.7 | -61.9 | -26.4 | 0 | 0 | 0 | 108.7 | H96 E97 N98 | H96-D100 WeakPolarHBondContact CB-O 3.49Å; H96-D100 PolarHBondContact ND1-O 3.25Å; E97-D100 PolarHBondContact O-N 3.49Å; N98-D100 VanDerWaalsContact C-N 3.3Å | ||
| 101 | E | 80.5 | Confident | 81.6 | Confident | 108 Ų | 108 | 66 Ų | 66 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -81.5 | -22.1 | -178.6 | 178.7 | 162.4 | -160.4 | 0 | 0 | 111.9 | D68 L69 N99 | D68-E101 WeakPolarHBondContact CA-O 3.48Å; L69-E101 HydrophobicContact CD1-CB 4.23Å; L69-E101 HydrophobicContact CD1-CG 3.73Å; N99-E101 PolarHBondContact O-N 3.01Å |
| 102 | Y | 84.5 | Confident | 82 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 49% | 0.49 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.1 | -171.2 | -58.2 | -72.3 | 0 | 0 | 0 | 109.6 | V67 D68 | V67-Y102 WeakPolarHBondContact O-CA 3.36Å; D68-Y102 HydrophobicContact CB-CD1 4.12Å; D68-Y102 HydrophobicContact CB-CE1 4.08Å |
| 103 | V | 85.9 | Confident | 82.4 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 114.4 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | H56 S66 V67 F95 D107 L108 | H56-V103 PolarHBondContact NE2-O 2.85Å; S66-V103 WeakPolarHBondContact CA-O 3.01Å; V67-V103 PolarHBondContact N-O 3.17Å; V67-V103 PolarHBondContact O-N 3.48Å; F95-V103 HydrophobicContact CD1-CG2 3.97Å; F95-V103 HydrophobicContact CE1-CB 3.79Å; F95-V103 HydrophobicContact CE1-CG1 4.08Å; F95-V103 HydrophobicContact CE1-CG2 3.65Å; F95-V103 HydrophobicContact CZ-CB 4.08Å; F95-V103 HydrophobicContact CZ-CG1 3.89Å; F95-V103 HydrophobicContact CZ-CG2 4.3Å; V103-D107 HydrophobicContact CG1-CB 4.06Å; V103-L108 HydrophobicContact CG1-CB 4.36Å |
| 104 | T | 89.1 | Confident | 82.7 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 167 | 176.5 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | E106 D107 L108 | T104-E106 PolarHBondContact O-N 2.97Å; T104-E106 PolarHBondContact OG1-N 3.38Å; T104-D107 WeakPolarHBondContact CB-OD2 3.27Å; T104-D107 PolarHBondContact N-OD2 3.33Å; T104-D107 PolarHBondContact O-N 2.93Å; T104-D107 PolarHBondContact OG1-N 3.47Å; T104-D107 VanDerWaalsContact OG1-N 3.14Å; T104-D107 PolarHBondContact OG1-OD2 3.29Å; T104-L108 PolarHBondContact O-N 3.34Å; T104-L108 VanDerWaalsContact O-N 3.09Å |
| 105 | V | 90.9 | Very high | 83 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.1 | -38.2 | 172 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | F49 M53 H56 L108 W109 | F49-V105 HydrophobicContact CE2-CG1 4.19Å; F49-V105 HydrophobicContact CZ-CG1 4.03Å; M53-V105 HydrophobicContact CB-CG1 4.21Å; M53-V105 HydrophobicContact CG-CG1 4.35Å; H56-V105 HydrophobicContact CB-CG2 4.03Å; H56-V105 VanDerWaalsContact CG-CG2 3.5Å; H56-V105 WeakPolarHBondContact ND1-CG2 3.22Å; V105-L108 PolarHBondContact O-N 3.32Å; V105-W109 WeakPolarHBondContact O-CB 3.44Å; V105-W109 PolarHBondContact O-N 3.43Å |
| 106 | E | 87.1 | Confident | 83.3 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 178.8 | -74.4 | 129.2 | -164.9 | 0 | 0 | 111.6 | F38 T104 L108 W109 V110 | F38-E106 HydrophobicContact CE1-CG 3.85Å; F38-E106 HydrophobicContact CE2-CB 3.87Å; F38-E106 HydrophobicContact CE2-CG 3.69Å; F38-E106 HydrophobicContact CZ-CB 4.01Å; F38-E106 HydrophobicContact CZ-CG 3.28Å; T104-E106 PolarHBondContact O-N 2.97Å; T104-E106 PolarHBondContact OG1-N 3.38Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 3.31Å; E106-W109 PolarHBondContact O-N 3.02Å; E106-V110 WeakPolarHBondContact O-CG2 3.49Å; E106-V110 PolarHBondContact O-N 3.06Å |
| 107 | D | 88 | Confident | 83.6 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 178 | -60.1 | -40.2 | 0 | 0 | 0 | 111.3 | V103 T104 W109 V110 R111 | V103-D107 HydrophobicContact CG1-CB 4.06Å; T104-D107 WeakPolarHBondContact CB-OD2 3.27Å; T104-D107 PolarHBondContact N-OD2 3.33Å; T104-D107 PolarHBondContact O-N 2.93Å; T104-D107 PolarHBondContact OG1-N 3.47Å; T104-D107 VanDerWaalsContact OG1-N 3.14Å; T104-D107 PolarHBondContact OG1-OD2 3.29Å; D107-W109 PolarHBondContact O-N 3.07Å; D107-V110 PolarHBondContact O-N 3.49Å; D107-R111 VanDerWaalsContact O-CB 3.24Å; D107-R111 WeakPolarHBondContact O-CB 3.33Å; D107-R111 PolarHBondContact O-N 3.26Å |
| 108 | L | 88.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.3 | -170.6 | 59.3 | 0 | 0 | 0 | 111.8 | I52 H56 F95 V103 T104 V105 E106 R111 W112 L187 | I52-L108 HydrophobicContact CG2-CB 4.19Å; I52-L108 HydrophobicContact CG2-CD2 3.83Å; I52-L108 HydrophobicContact CG2-CG 3.83Å; H56-L108 HydrophobicContact CB-CD2 4.26Å; F95-L108 HydrophobicContact CE2-CD1 3.82Å; V103-L108 HydrophobicContact CG1-CB 4.36Å; T104-L108 PolarHBondContact O-N 3.34Å; T104-L108 VanDerWaalsContact O-N 3.09Å; V105-L108 PolarHBondContact O-N 3.32Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 3.31Å; L108-R111 PolarHBondContact O-N 3.48Å; L108-W112 WeakPolarHBondContact O-CB 3.37Å; L108-W112 PolarHBondContact O-N 3.15Å; L108-L187 HydrophobicContact CD1-CD2 3.92Å; L108-L187 HydrophobicContact CD2-CD2 4.11Å |
| 109 | W | 90 | Very high | 85.6 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 175.3 | 177.1 | -105.2 | 0 | 0 | 0 | 112.1 | F38 S41 D45 F49 I52 V105 E106 D107 R111 W112 W113 | F38-W109 AromaticContact CD2-CD1 3.69Å; F38-W109 HydrophobicContact CE2-CB 4.12Å; F38-W109 AromaticContact CE2-CD1 3.43Å; F38-W109 VanDerWaalsContact CE2-CD1 3.43Å; F38-W109 HydrophobicContact CE2-CG 4.07Å; S41-W109 WeakPolarHBondContact O-CZ2 3.38Å; S41-W109 PolarHBondContact OG-NE1 3.3Å; D45-W109 HydrophobicContact CB-CH2 4.23Å; F49-W109 VanDerWaalsContact CA-CZ3 3.45Å; F49-W109 HydrophobicContact CB-CD2 4.41Å; F49-W109 HydrophobicContact CB-CE3 4.08Å; F49-W109 HydrophobicContact CB-CH2 4.11Å; F49-W109 HydrophobicContact CB-CZ2 4.41Å; F49-W109 HydrophobicContact CB-CZ3 3.96Å; F49-W109 HydrophobicContact CD2-CB 4.1Å; F49-W109 AromaticContact CD2-CD2 3.6Å; F49-W109 HydrophobicContact CD2-CD2 3.6Å; F49-W109 AromaticContact CD2-CE3 3.84Å; F49-W109 HydrophobicContact CD2-CE3 3.84Å; F49-W109 AromaticContact CD2-CG 3.69Å; F49-W109 HydrophobicContact CD2-CG 3.69Å; F49-W109 HydrophobicContact CE2-CB 4.09Å; F49-W109 HydrophobicContact CE2-CD2 4.43Å; F49-W109 HydrophobicContact CE2-CG 4.06Å; F49-W109 HydrophobicContact CG-CE3 4.46Å; F49-W109 VanDerWaalsContact N-CZ3 3.25Å; I52-W109 HydrophobicContact CB-CE3 4.3Å; I52-W109 HydrophobicContact CD1-CE3 3.48Å; I52-W109 VanDerWaalsContact CD1-CE3 3.48Å; I52-W109 HydrophobicContact CD1-CZ3 3.78Å; I52-W109 HydrophobicContact CG1-CE3 4.32Å; V105-W109 WeakPolarHBondContact O-CB 3.44Å; V105-W109 PolarHBondContact O-N 3.43Å; E106-W109 PolarHBondContact O-N 3.02Å; D107-W109 PolarHBondContact O-N 3.07Å; W109-R111 VanDerWaalsContact C-N 3.3Å; W109-R111 PolarHBondContact O-N 2.98Å; W109-W112 AromaticContact CZ3-CD1 3.83Å; W109-W112 PolarHBondContact O-N 3.36Å; W109-W113 HydrophobicContact CH2-CE3 4.09Å; W109-W113 HydrophobicContact CH2-CZ3 4.24Å; W109-W113 AromaticContact CZ2-CE3 3.55Å; W109-W113 HydrophobicContact CZ2-CE3 3.55Å; W109-W113 AromaticContact CZ2-CZ3 3.79Å; W109-W113 HydrophobicContact CZ2-CZ3 3.79Å; W109-W113 VanDerWaalsContact O-CB 3.29Å; W109-W113 WeakPolarHBondContact O-CB 3.22Å; W109-W113 PolarHBondContact O-N 3.21Å |
| 110 | V | 86.1 | Confident | 86.9 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | F38 E106 D107 W113 K114 | F38-V110 HydrophobicContact CD2-CG2 3.77Å; F38-V110 HydrophobicContact CE2-CG2 4.43Å; E106-V110 WeakPolarHBondContact O-CG2 3.49Å; E106-V110 PolarHBondContact O-N 3.06Å; D107-V110 PolarHBondContact O-N 3.49Å; V110-W113 PolarHBondContact O-N 3.03Å; V110-K114 HydrophobicContact CG1-CD 3.91Å; V110-K114 HydrophobicContact CG1-CG 4.46Å; V110-K114 WeakPolarHBondContact O-CB 3.38Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.46Å |
| 111 | R | 86 | Confident | 87.5 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 25% | 0.249 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 175 | -175.6 | 176.7 | -157.8 | 67.7 | 17.4 | 111.8 | A94 E97 D107 L108 W109 K114 S115 | A94-R111 PolarHBondContact O-NE 3.41Å; A94-R111 VanDerWaalsContact O-NE 3.1Å; A94-R111 PolarHBondContact O-NH2 3.48Å; E97-R111 IonicContact OE2-CZ 3.23Å; E97-R111 VanDerWaalsContact OE2-CZ 3.23Å; E97-R111 IonicContact OE2-NH1 3.45Å; E97-R111 PolarHBondContact OE2-NH1 3.36Å; E97-R111 IonicContact OE2-NH2 2.66Å; E97-R111 PolarHBondContact OE2-NH2 2.99Å; D107-R111 VanDerWaalsContact O-CB 3.24Å; D107-R111 WeakPolarHBondContact O-CB 3.33Å; D107-R111 PolarHBondContact O-N 3.26Å; L108-R111 PolarHBondContact O-N 3.48Å; W109-R111 VanDerWaalsContact C-N 3.3Å; W109-R111 PolarHBondContact O-N 2.98Å; R111-K114 PolarHBondContact O-N 3.08Å; R111-S115 PolarHBondContact O-N 3.01Å; R111-S115 VanDerWaalsContact O-N 3.17Å |
| 112 | W | 88.1 | Confident | 88.1 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.6 | 167.6 | -110.8 | 0 | 0 | 0 | 111.8 | I52 L108 W109 K114 S115 V117 R118 G149 L152 P153 V186 | I52-W112 HydrophobicContact CD1-CB 3.49Å; I52-W112 VanDerWaalsContact CD1-CB 3.49Å; I52-W112 HydrophobicContact CD1-CD2 4.3Å; I52-W112 HydrophobicContact CD1-CG 3.4Å; I52-W112 VanDerWaalsContact CD1-CG 3.4Å; L108-W112 WeakPolarHBondContact O-CB 3.37Å; L108-W112 PolarHBondContact O-N 3.15Å; W109-W112 AromaticContact CZ3-CD1 3.83Å; W109-W112 PolarHBondContact O-N 3.36Å; W112-K114 VanDerWaalsContact C-N 3.34Å; W112-K114 PolarHBondContact O-N 3.48Å; W112-S115 VanDerWaalsContact O-CB 3.23Å; W112-S115 WeakPolarHBondContact O-CB 3.42Å; W112-S115 PolarHBondContact O-N 3.04Å; W112-S115 PolarHBondContact O-OG 2.93Å; W112-V117 HydrophobicContact CH2-CB 4.15Å; W112-V117 HydrophobicContact CH2-CG1 3.81Å; W112-V117 HydrophobicContact CZ3-CB 3.88Å; W112-V117 HydrophobicContact CZ3-CG1 3.79Å; W112-R118 HydrophobicContact CZ2-CB 4.09Å; W112-R118 HydrophobicContact CZ2-CG 4.23Å; W112-G149 WeakPolarHBondContact CH2-O 3.44Å; W112-G149 WeakPolarHBondContact CZ2-O 3.16Å; W112-L152 HydrophobicContact CH2-CB 3.82Å; W112-L152 HydrophobicContact CH2-CD1 4.25Å; W112-L152 HydrophobicContact CZ2-CB 4.45Å; W112-P153 HydrophobicContact CD2-CG 3.86Å; W112-P153 HydrophobicContact CE3-CG 4.47Å; W112-P153 HydrophobicContact CG-CG 4.34Å; W112-P153 HydrophobicContact CH2-CG 4.17Å; W112-P153 HydrophobicContact CZ2-CG 3.5Å; W112-P153 VanDerWaalsContact CZ2-CG 3.5Å; W112-V186 HydrophobicContact CD2-CG1 4.46Å; W112-V186 HydrophobicContact CE3-CB 4.26Å; W112-V186 HydrophobicContact CE3-CG1 4.02Å; W112-V186 HydrophobicContact CE3-CG2 4.07Å; W112-V186 HydrophobicContact CH2-CG2 4.33Å; W112-V186 HydrophobicContact CZ3-CB 4.37Å; W112-V186 HydrophobicContact CZ3-CG2 3.79Å |
| 113 | W | 86.9 | Confident | 88.4 | Confident | 51 Ų | 51 | 55 Ų | 55 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | -178.1 | -168.5 | -102.2 | 0 | 0 | 0 | 111.7 | E44 W109 V110 S115 R118 | E44-W113 HydrophobicContact CB-CH2 3.87Å; E44-W113 WeakPolarHBondContact OE2-CH2 3.25Å; E44-W113 WeakPolarHBondContact OE2-CZ2 3.3Å; W109-W113 HydrophobicContact CH2-CE3 4.09Å; W109-W113 HydrophobicContact CH2-CZ3 4.24Å; W109-W113 AromaticContact CZ2-CE3 3.55Å; W109-W113 HydrophobicContact CZ2-CE3 3.55Å; W109-W113 AromaticContact CZ2-CZ3 3.79Å; W109-W113 HydrophobicContact CZ2-CZ3 3.79Å; W109-W113 VanDerWaalsContact O-CB 3.29Å; W109-W113 WeakPolarHBondContact O-CB 3.22Å; W109-W113 PolarHBondContact O-N 3.21Å; V110-W113 PolarHBondContact O-N 3.03Å; W113-S115 PolarHBondContact O-N 3.18Å; W113-R118 VanDerWaalsContact CD2-CZ 3.46Å; W113-R118 VanDerWaalsContact CD2-NH1 3.28Å; W113-R118 VanDerWaalsContact CE2-NH1 3.27Å; W113-R118 VanDerWaalsContact CE2-NH2 3.32Å; W113-R118 PolarHBondContact O-NH1 3.02Å |
| 114 | K | 85.4 | Confident | 88.7 | Confident | 147 Ų | 147 | 58.1 Ų | 58.1 | 64% | 0.639 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -73 | -13.7 | 175.9 | -70.4 | 176.5 | 179.6 | 173.9 | 0 | 113.2 | V110 R111 W112 | V110-K114 HydrophobicContact CG1-CD 3.91Å; V110-K114 HydrophobicContact CG1-CG 4.46Å; V110-K114 WeakPolarHBondContact O-CB 3.38Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.46Å; R111-K114 PolarHBondContact O-N 3.08Å; W112-K114 VanDerWaalsContact C-N 3.34Å; W112-K114 PolarHBondContact O-N 3.48Å |
| 115 | S | 86.2 | Confident | 88.8 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 15% | 0.154 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -66.6 | 141.4 | -177.5 | 80.5 | 0 | 0 | 0 | 0 | 112.7 | R111 W112 W113 V117 R118 | R111-S115 PolarHBondContact O-N 3.01Å; R111-S115 VanDerWaalsContact O-N 3.17Å; W112-S115 VanDerWaalsContact O-CB 3.23Å; W112-S115 WeakPolarHBondContact O-CB 3.42Å; W112-S115 PolarHBondContact O-N 3.04Å; W112-S115 PolarHBondContact O-OG 2.93Å; W113-S115 PolarHBondContact O-N 3.18Å; S115-V117 PolarHBondContact O-N 3.4Å; S115-R118 PolarHBondContact O-N 2.93Å |
| 116 | E | 86.1 | Confident | 88.9 | Confident | 164 Ų | 164 | 55.7 Ų | 55.7 | 77% | 0.766 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -62.7 | -24.3 | 173.5 | -63.1 | -179.3 | 170.4 | 0 | 0 | 112.1 | R118 Q119 | E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.91Å; E116-Q119 PolarHBondContact O-N 3.23Å; E116-Q119 VanDerWaalsContact O-N 3.11Å |
| 117 | V | 88.5 | Confident | 89 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -61.3 | -37.6 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | W112 S115 Q119 W120 G149 L152 V185 F190 | W112-V117 HydrophobicContact CH2-CB 4.15Å; W112-V117 HydrophobicContact CH2-CG1 3.81Å; W112-V117 HydrophobicContact CZ3-CB 3.88Å; W112-V117 HydrophobicContact CZ3-CG1 3.79Å; S115-V117 PolarHBondContact O-N 3.4Å; V117-Q119 PolarHBondContact O-N 3.5Å; V117-W120 HydrophobicContact CB-CZ2 4.31Å; V117-W120 HydrophobicContact CG1-CD2 3.97Å; V117-W120 HydrophobicContact CG1-CE3 3.95Å; V117-W120 HydrophobicContact CG1-CH2 3.97Å; V117-W120 HydrophobicContact CG1-CZ2 3.97Å; V117-W120 HydrophobicContact CG1-CZ3 3.96Å; V117-W120 HydrophobicContact CG2-CH2 4.48Å; V117-W120 HydrophobicContact CG2-CZ2 3.97Å; V117-W120 WeakPolarHBondContact O-CB 3.42Å; V117-W120 VanDerWaalsContact O-CG 3.23Å; V117-W120 PolarHBondContact O-N 3.22Å; V117-W120 VanDerWaalsContact O-N 3.12Å; V117-G149 WeakPolarHBondContact O-CA 3.35Å; V117-L152 HydrophobicContact CG1-CD1 3.26Å; V117-V185 HydrophobicContact CB-CG1 4.26Å; V117-V185 HydrophobicContact CG1-CG1 3.47Å; V117-V185 VanDerWaalsContact CG1-CG1 3.47Å; V117-V185 HydrophobicContact CG2-CG1 3.83Å; V117-F190 HydrophobicContact CG2-CB 3.71Å |
| 118 | R | 88.4 | Confident | 89.2 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 24% | 0.242 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -59.6 | -32.4 | 178.3 | -167.8 | -175 | 113.4 | -131.7 | 9.3 | 112.1 | W112 W113 S115 E116 W120 | W112-R118 HydrophobicContact CZ2-CB 4.09Å; W112-R118 HydrophobicContact CZ2-CG 4.23Å; W113-R118 VanDerWaalsContact CD2-CZ 3.46Å; W113-R118 VanDerWaalsContact CD2-NH1 3.28Å; W113-R118 VanDerWaalsContact CE2-NH1 3.27Å; W113-R118 VanDerWaalsContact CE2-NH2 3.32Å; W113-R118 PolarHBondContact O-NH1 3.02Å; S115-R118 PolarHBondContact O-N 2.93Å; E116-R118 VanDerWaalsContact C-N 3.28Å; E116-R118 PolarHBondContact O-N 2.91Å; R118-W120 VanDerWaalsContact C-N 3.27Å; R118-W120 PolarHBondContact O-N 3.16Å |
| 119 | Q | 88.9 | Confident | 89.3 | Confident | 154 Ų | 154 | 50.7 Ų | 50.7 | 72% | 0.72 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -85.3 | 4.8 | -177.4 | -58.5 | -178.6 | 17.6 | 0 | 0 | 113.3 | E116 V117 S121 | E116-Q119 PolarHBondContact O-N 3.23Å; E116-Q119 VanDerWaalsContact O-N 3.11Å; V117-Q119 PolarHBondContact O-N 3.5Å; Q119-S121 PolarHBondContact O-N 3.43Å |
| 120 | W | 91.1 | Very high | 89.3 | Confident | 30 Ų | 30 | 53 Ų | 53 | 11% | 0.114 | 27% | 0.268 | C | S | . | . | trans | -61.6 | 134.4 | 179.3 | -75.6 | 1.7 | 0 | 0 | 0 | 113.1 | V117 R118 D124 W128 G149 L152 V185 F190 | V117-W120 HydrophobicContact CB-CZ2 4.31Å; V117-W120 HydrophobicContact CG1-CD2 3.97Å; V117-W120 HydrophobicContact CG1-CE3 3.95Å; V117-W120 HydrophobicContact CG1-CH2 3.97Å; V117-W120 HydrophobicContact CG1-CZ2 3.97Å; V117-W120 HydrophobicContact CG1-CZ3 3.96Å; V117-W120 HydrophobicContact CG2-CH2 4.48Å; V117-W120 HydrophobicContact CG2-CZ2 3.97Å; V117-W120 WeakPolarHBondContact O-CB 3.42Å; V117-W120 VanDerWaalsContact O-CG 3.23Å; V117-W120 PolarHBondContact O-N 3.22Å; V117-W120 VanDerWaalsContact O-N 3.12Å; R118-W120 VanDerWaalsContact C-N 3.27Å; R118-W120 PolarHBondContact O-N 3.16Å; W120-D124 HydrophobicContact CB-CB 4.05Å; W120-D124 HydrophobicContact CD2-CB 4.42Å; W120-D124 HydrophobicContact CG-CB 4.05Å; W120-W128 HydrophobicContact CH2-CB 4.27Å; W120-W128 AromaticContact CH2-CD1 3.98Å; W120-W128 HydrophobicContact CH2-CG 4.12Å; W120-W128 HydrophobicContact CZ3-CB 3.79Å; W120-W128 HydrophobicContact CZ3-CD2 4.2Å; W120-W128 AromaticContact CZ3-CG 3.72Å; W120-W128 HydrophobicContact CZ3-CG 3.72Å; W120-G149 PolarHBondContact O-N 3.01Å; W120-G149 VanDerWaalsContact O-N 3.08Å; W120-L152 HydrophobicContact CE3-CD1 3.92Å; W120-L152 HydrophobicContact CZ3-CD1 3.94Å; W120-V185 HydrophobicContact CH2-CG1 4.15Å; W120-F190 HydrophobicContact CH2-CB 3.68Å; W120-F190 AromaticContact CH2-CD1 3.89Å; W120-F190 HydrophobicContact CH2-CD1 3.89Å; W120-F190 AromaticContact CH2-CD2 3.47Å; W120-F190 HydrophobicContact CH2-CD2 3.47Å; W120-F190 VanDerWaalsContact CH2-CD2 3.47Å; W120-F190 HydrophobicContact CH2-CE1 4.21Å; W120-F190 AromaticContact CH2-CE2 3.92Å; W120-F190 HydrophobicContact CH2-CE2 3.92Å; W120-F190 AromaticContact CH2-CG 3.43Å; W120-F190 HydrophobicContact CH2-CG 3.43Å; W120-F190 VanDerWaalsContact CH2-CG 3.43Å; W120-F190 HydrophobicContact CH2-CZ 4.22Å; W120-F190 HydrophobicContact CZ2-CB 3.33Å; W120-F190 AromaticContact CZ2-CD1 3.31Å; W120-F190 HydrophobicContact CZ2-CD1 3.31Å; W120-F190 AromaticContact CZ2-CD2 3.79Å; W120-F190 HydrophobicContact CZ2-CD2 3.79Å; W120-F190 AromaticContact CZ2-CE1 3.83Å; W120-F190 HydrophobicContact CZ2-CE1 3.83Å; W120-F190 HydrophobicContact CZ2-CE2 4.33Å; W120-F190 AromaticContact CZ2-CG 3.22Å; W120-F190 HydrophobicContact CZ2-CG 3.22Å; W120-F190 HydrophobicContact CZ2-CZ 4.3Å | ||
| 121 | S | 91.7 | Very high | 89.3 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | trans | -72.2 | 162.9 | 168.1 | 74.3 | 0 | 0 | 0 | 0 | 110.7 | Q119 A123 D124 M125 | Q119-S121 PolarHBondContact O-N 3.43Å; S121-A123 PolarHBondContact O-N 3.2Å; S121-A123 PolarHBondContact OG-N 3.37Å; S121-D124 WeakPolarHBondContact CB-OD2 3.38Å; S121-D124 PolarHBondContact N-OD2 3.36Å; S121-D124 VanDerWaalsContact N-OD2 3.17Å; S121-D124 PolarHBondContact O-N 2.96Å; S121-D124 VanDerWaalsContact O-N 3.09Å; S121-D124 VanDerWaalsContact OG-CG 3.25Å; S121-D124 PolarHBondContact OG-N 3.25Å; S121-D124 PolarHBondContact OG-OD2 2.82Å; S121-M125 PolarHBondContact O-N 2.91Å | ||
| 122 | N | 92.9 | Very high | 89.2 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -52.5 | -40.1 | 170.4 | -178.7 | -8.1 | 0 | 0 | 0 | 112 | D124 M125 I126 K146 L147 N148 | N122-D124 VanDerWaalsContact C-N 3.34Å; N122-D124 PolarHBondContact O-N 2.88Å; N122-M125 PolarHBondContact O-N 2.86Å; N122-I126 WeakPolarHBondContact O-CG1 3.25Å; N122-I126 PolarHBondContact O-N 3.3Å; N122-I126 WeakPolarHBondContact OD1-CD1 3.2Å; N122-I126 WeakPolarHBondContact OD1-CG1 3.48Å; N122-K146 WeakPolarHBondContact ND2-CA 3.36Å; N122-L147 WeakPolarHBondContact CA-O 3.34Å; N122-N148 PolarHBondContact N-OD1 3.36Å |
| 123 | A | 91.9 | Very high | 89.2 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S121 I126 N127 | S121-A123 PolarHBondContact O-N 3.2Å; S121-A123 PolarHBondContact OG-N 3.37Å; A123-I126 PolarHBondContact O-N 3.3Å; A123-N127 WeakPolarHBondContact O-CB 3.39Å; A123-N127 PolarHBondContact O-N 2.95Å |
| 124 | D | 91.5 | Very high | 89.2 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 176.8 | -57.7 | -49.5 | 0 | 0 | 0 | 111.3 | W120 S121 N122 N127 W128 | W120-D124 HydrophobicContact CB-CB 4.05Å; W120-D124 HydrophobicContact CD2-CB 4.42Å; W120-D124 HydrophobicContact CG-CB 4.05Å; S121-D124 WeakPolarHBondContact CB-OD2 3.38Å; S121-D124 PolarHBondContact N-OD2 3.36Å; S121-D124 VanDerWaalsContact N-OD2 3.17Å; S121-D124 PolarHBondContact O-N 2.96Å; S121-D124 VanDerWaalsContact O-N 3.09Å; S121-D124 VanDerWaalsContact OG-CG 3.25Å; S121-D124 PolarHBondContact OG-N 3.25Å; S121-D124 PolarHBondContact OG-OD2 2.82Å; N122-D124 VanDerWaalsContact C-N 3.34Å; N122-D124 PolarHBondContact O-N 2.88Å; D124-N127 WeakPolarHBondContact O-CB 3.43Å; D124-N127 PolarHBondContact O-N 3.27Å; D124-W128 WeakPolarHBondContact O-CB 3.44Å; D124-W128 PolarHBondContact O-N 2.89Å |
| 125 | M | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.3 | -169.9 | -163.6 | -71.1 | 0 | 0 | 111.9 | S121 N122 N127 W128 L129 F142 L147 N148 I151 | S121-M125 PolarHBondContact O-N 2.91Å; N122-M125 PolarHBondContact O-N 2.86Å; M125-N127 VanDerWaalsContact C-N 3.32Å; M125-N127 PolarHBondContact O-N 2.87Å; M125-W128 HydrophobicContact CG-CE3 4.35Å; M125-W128 WeakPolarHBondContact O-CB 3.06Å; M125-W128 PolarHBondContact O-N 2.86Å; M125-L129 WeakPolarHBondContact O-CB 3.44Å; M125-L129 PolarHBondContact O-N 3.26Å; M125-F142 HydrophobicContact CG-CD1 3.94Å; M125-F142 HydrophobicContact CG-CE1 4.06Å; M125-F142 HydrophobicContact SD-CD1 3.24Å; M125-F142 WeakPolarHBondContact SD-CD1 3.21Å; M125-F142 HydrophobicContact SD-CE1 3.38Å; M125-F142 WeakPolarHBondContact SD-CE1 3.3Å; M125-F142 HydrophobicContact SD-CG 4.44Å; M125-L147 HydrophobicContact CE-CB 3.6Å; M125-L147 VanDerWaalsContact CE-O 3.23Å; M125-L147 WeakPolarHBondContact CE-O 3.42Å; M125-L147 HydrophobicContact SD-CB 3.44Å; M125-L147 WeakPolarHBondContact SD-CB 3.4Å; M125-L147 HydrophobicContact SD-CD1 4.38Å; M125-N148 WeakPolarHBondContact CE-O 3.47Å; M125-I151 HydrophobicContact CE-CG2 3.51Å; M125-I151 HydrophobicContact SD-CG2 4.46Å |
| 126 | I | 91.7 | Very high | 89.3 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.087 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 175.1 | -71.3 | 167.9 | 0 | 0 | 0 | 110.3 | N122 A123 W128 L129 V130 R139 F142 E143 | N122-I126 WeakPolarHBondContact O-CG1 3.25Å; N122-I126 PolarHBondContact O-N 3.3Å; N122-I126 WeakPolarHBondContact OD1-CD1 3.2Å; N122-I126 WeakPolarHBondContact OD1-CG1 3.48Å; A123-I126 PolarHBondContact O-N 3.3Å; I126-W128 VanDerWaalsContact C-N 3.32Å; I126-W128 PolarHBondContact O-N 2.99Å; I126-L129 PolarHBondContact O-N 3.21Å; I126-V130 HydrophobicContact CG2-CG2 4.25Å; I126-V130 WeakPolarHBondContact O-CB 3.4Å; I126-V130 VanDerWaalsContact O-CG2 3.29Å; I126-V130 WeakPolarHBondContact O-CG2 3.2Å; I126-V130 PolarHBondContact O-N 3.5Å; I126-R139 HydrophobicContact CG2-CG 3.72Å; I126-F142 HydrophobicContact CG1-CB 4.21Å; I126-E143 HydrophobicContact CD1-CB 3.91Å; I126-E143 HydrophobicContact CD1-CG 4.31Å |
| 127 | N | 90.6 | Very high | 89.4 | Confident | 77 Ų | 77 | 54 Ų | 54 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.4 | -174.6 | 4.7 | 0 | 0 | 0 | 111 | A123 D124 M125 V130 N131 | A123-N127 WeakPolarHBondContact O-CB 3.39Å; A123-N127 PolarHBondContact O-N 2.95Å; D124-N127 WeakPolarHBondContact O-CB 3.43Å; D124-N127 PolarHBondContact O-N 3.27Å; M125-N127 VanDerWaalsContact C-N 3.32Å; M125-N127 PolarHBondContact O-N 2.87Å; N127-V130 PolarHBondContact O-N 3.41Å; N127-N131 WeakPolarHBondContact O-CB 3.4Å; N127-N131 PolarHBondContact O-N 3.45Å; N127-N131 PolarHBondContact OD1-ND2 3.47Å |
| 128 | W | 91.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 172.9 | 171.5 | 76.1 | 0 | 0 | 0 | 112.4 | W120 D124 M125 I126 V130 Y132 V133 L152 L178 K181 A182 V185 F190 | W120-W128 HydrophobicContact CH2-CB 4.27Å; W120-W128 AromaticContact CH2-CD1 3.98Å; W120-W128 HydrophobicContact CH2-CG 4.12Å; W120-W128 HydrophobicContact CZ3-CB 3.79Å; W120-W128 HydrophobicContact CZ3-CD2 4.2Å; W120-W128 AromaticContact CZ3-CG 3.72Å; W120-W128 HydrophobicContact CZ3-CG 3.72Å; D124-W128 WeakPolarHBondContact O-CB 3.44Å; D124-W128 PolarHBondContact O-N 2.89Å; M125-W128 HydrophobicContact CG-CE3 4.35Å; M125-W128 WeakPolarHBondContact O-CB 3.06Å; M125-W128 PolarHBondContact O-N 2.86Å; I126-W128 VanDerWaalsContact C-N 3.32Å; I126-W128 PolarHBondContact O-N 2.99Å; W128-V130 VanDerWaalsContact C-N 3.35Å; W128-V130 PolarHBondContact O-N 3.05Å; W128-Y132 AromaticContact CD1-CG 4Å; W128-Y132 WeakPolarHBondContact O-CA 3.42Å; W128-Y132 VanDerWaalsContact O-CB 3.3Å; W128-Y132 WeakPolarHBondContact O-CB 3.26Å; W128-Y132 PolarHBondContact O-N 2.87Å; W128-V133 HydrophobicContact CD2-CG2 3.81Å; W128-V133 HydrophobicContact CE3-CG2 3.92Å; W128-V133 HydrophobicContact CH2-CG2 3.65Å; W128-V133 HydrophobicContact CZ2-CG2 3.5Å; W128-V133 HydrophobicContact CZ3-CG2 3.84Å; W128-V133 PolarHBondContact O-N 3.38Å; W128-V133 VanDerWaalsContact O-N 3.13Å; W128-L152 HydrophobicContact CE3-CD2 4.31Å; W128-L152 HydrophobicContact CH2-CD2 3.66Å; W128-L152 HydrophobicContact CZ2-CD2 4.25Å; W128-L152 HydrophobicContact CZ3-CD2 3.7Å; W128-L178 HydrophobicContact CH2-CD1 3.51Å; W128-L178 HydrophobicContact CZ3-CD1 3.58Å; W128-K181 HydrophobicContact CH2-CB 4.48Å; W128-K181 HydrophobicContact CZ2-CB 3.84Å; W128-A182 HydrophobicContact CH2-CB 4.05Å; W128-A182 HydrophobicContact CZ2-CB 4.5Å; W128-V185 HydrophobicContact CZ2-CG2 4.21Å; W128-F190 AromaticContact CD1-CE2 3.57Å |
| 129 | L | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -60 | -42.9 | 179 | -177.8 | 72.1 | 0 | 0 | 0 | 112.2 | M125 I126 V133 E134 L135 F142 L178 | M125-L129 WeakPolarHBondContact O-CB 3.44Å; M125-L129 PolarHBondContact O-N 3.26Å; I126-L129 PolarHBondContact O-N 3.21Å; L129-V133 HydrophobicContact CD1-CB 4.24Å; L129-V133 HydrophobicContact CD1-CG1 4.43Å; L129-V133 HydrophobicContact CD1-CG2 4.47Å; L129-V133 CarbonylContact O-C 3.59Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; L129-E134 PolarHBondContact O-N 3.13Å; L129-L135 HydrophobicContact CD1-CB 3.98Å; L129-L135 HydrophobicContact CG-CB 4.4Å; L129-L135 WeakPolarHBondContact CG-O 3.46Å; L129-L135 PolarHBondContact O-N 3Å; L129-F142 HydrophobicContact CD1-CE1 4.32Å; L129-F142 HydrophobicContact CD1-CE2 4.49Å; L129-F142 HydrophobicContact CD1-CZ 4.14Å; L129-F142 HydrophobicContact CD2-CB 4.44Å; L129-F142 HydrophobicContact CD2-CD1 3.95Å; L129-F142 HydrophobicContact CD2-CD2 3.9Å; L129-F142 HydrophobicContact CD2-CE1 4.21Å; L129-F142 HydrophobicContact CD2-CE2 4.13Å; L129-F142 HydrophobicContact CD2-CG 3.83Å; L129-F142 HydrophobicContact CD2-CZ 4.3Å; L129-L178 HydrophobicContact CD1-CD1 4Å; L129-L178 HydrophobicContact CD1-CD2 4.49Å |
| 130 | V | 89.5 | Confident | 89.4 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 29% | 0.285 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -75.4 | -46.9 | -178 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | I126 N127 W128 E134 P136 | I126-V130 HydrophobicContact CG2-CG2 4.25Å; I126-V130 WeakPolarHBondContact O-CB 3.4Å; I126-V130 VanDerWaalsContact O-CG2 3.29Å; I126-V130 WeakPolarHBondContact O-CG2 3.2Å; I126-V130 PolarHBondContact O-N 3.5Å; N127-V130 PolarHBondContact O-N 3.41Å; W128-V130 VanDerWaalsContact C-N 3.35Å; W128-V130 PolarHBondContact O-N 3.05Å; V130-E134 WeakPolarHBondContact O-CA 3.49Å; V130-P136 HydrophobicContact CG1-CB 4.47Å; V130-P136 HydrophobicContact CG2-CB 4.26Å |
| 131 | N | 85.9 | Confident | 89.3 | Confident | 106 Ų | 106 | 57.8 Ų | 57.8 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | I | π-helix | trans | -92.8 | -26.6 | -169.9 | -71.7 | -27.3 | 0 | 0 | 0 | 114.3 | N127 | N127-N131 WeakPolarHBondContact O-CB 3.4Å; N127-N131 PolarHBondContact O-N 3.45Å; N127-N131 PolarHBondContact OD1-ND2 3.47Å |
| 132 | Y | 84.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -111.3 | -39.1 | -174.9 | -66.1 | -100.8 | 0 | 0 | 0 | 112.9 | W128 F190 Q192 H193 | W128-Y132 AromaticContact CD1-CG 4Å; W128-Y132 WeakPolarHBondContact O-CA 3.42Å; W128-Y132 VanDerWaalsContact O-CB 3.3Å; W128-Y132 WeakPolarHBondContact O-CB 3.26Å; W128-Y132 PolarHBondContact O-N 2.87Å; Y132-F190 AromaticContact CD1-CE2 3.74Å; Y132-F190 HydrophobicContact CD1-CE2 3.74Å; Y132-F190 HydrophobicContact CD1-CZ 4.35Å; Y132-F190 AromaticContact CD2-CE2 3.86Å; Y132-F190 HydrophobicContact CD2-CE2 3.86Å; Y132-F190 AromaticContact CD2-CZ 3.93Å; Y132-F190 HydrophobicContact CD2-CZ 3.93Å; Y132-F190 AromaticContact CE1-CE2 3.59Å; Y132-F190 HydrophobicContact CE1-CE2 3.59Å; Y132-F190 AromaticContact CE1-CZ 3.85Å; Y132-F190 HydrophobicContact CE1-CZ 3.85Å; Y132-F190 AromaticContact CE2-CE2 3.74Å; Y132-F190 HydrophobicContact CE2-CE2 3.74Å; Y132-F190 AromaticContact CE2-CZ 3.4Å; Y132-F190 HydrophobicContact CE2-CZ 3.4Å; Y132-F190 AromaticContact CG-CE2 3.87Å; Y132-F190 HydrophobicContact CG-CE2 3.87Å; Y132-F190 HydrophobicContact CG-CZ 4.38Å; Y132-F190 AromaticContact CZ-CE2 3.61Å; Y132-F190 AromaticContact CZ-CZ 3.35Å; Y132-Q192 VanDerWaalsContact OH-CA 3.24Å; Y132-Q192 WeakPolarHBondContact OH-CA 3.37Å; Y132-H193 HydrophobicContact CE1-CB 4.02Å; Y132-H193 PolarHBondContact OH-N 2.97Å |
| 133 | V | 86.9 | Confident | 89 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -85.3 | -23.2 | 174.7 | -165.2 | 0 | 0 | 0 | 0 | 110.9 | W128 L129 L135 K177 L178 K181 | W128-V133 HydrophobicContact CD2-CG2 3.81Å; W128-V133 HydrophobicContact CE3-CG2 3.92Å; W128-V133 HydrophobicContact CH2-CG2 3.65Å; W128-V133 HydrophobicContact CZ2-CG2 3.5Å; W128-V133 HydrophobicContact CZ3-CG2 3.84Å; W128-V133 PolarHBondContact O-N 3.38Å; W128-V133 VanDerWaalsContact O-N 3.13Å; L129-V133 HydrophobicContact CD1-CB 4.24Å; L129-V133 HydrophobicContact CD1-CG1 4.43Å; L129-V133 HydrophobicContact CD1-CG2 4.47Å; L129-V133 CarbonylContact O-C 3.59Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; V133-L135 VanDerWaalsContact C-N 3.26Å; V133-L135 HydrophobicContact CG1-CB 4.32Å; V133-L135 HydrophobicContact CG1-CD1 3.57Å; V133-L135 HydrophobicContact CG1-CG 3.87Å; V133-L135 PolarHBondContact O-N 3.34Å; V133-K177 WeakPolarHBondContact O-CE 3.33Å; V133-K177 PolarHBondContact O-NZ 3.05Å; V133-L178 HydrophobicContact CG1-CB 4.14Å; V133-L178 HydrophobicContact CG1-CD1 4Å; V133-L178 HydrophobicContact CG2-CD1 4.15Å; V133-K181 HydrophobicContact CG1-CB 4.38Å; V133-K181 HydrophobicContact CG1-CG 4.21Å; V133-K181 HydrophobicContact CG2-CB 3.9Å; V133-K181 HydrophobicContact CG2-CG 4.25Å |
| 134 | E | 86.8 | Confident | 88.9 | Confident | 126 Ų | 126 | 63 Ų | 63 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | trans | 59.4 | 37.2 | -177.7 | -48.3 | 165.1 | 149.7 | 0 | 0 | 112 | L129 V130 P136 K177 | L129-E134 PolarHBondContact O-N 3.13Å; V130-E134 WeakPolarHBondContact O-CA 3.49Å; E134-P136 VanDerWaalsContact O-CD 3.25Å; E134-P136 WeakPolarHBondContact O-CD 3.49Å; E134-K177 IonicContact OE2-NZ 3.61Å; E134-K177 PolarHBondContact OE2-NZ 3.4Å | ||
| 135 | L | 87.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | trans | -117.3 | 66.4 | 177.9 | -68.7 | 177.3 | 0 | 0 | 0 | 111 | L129 V133 Q137 Y138 H174 L178 | L129-L135 HydrophobicContact CD1-CB 3.98Å; L129-L135 HydrophobicContact CG-CB 4.4Å; L129-L135 WeakPolarHBondContact CG-O 3.46Å; L129-L135 PolarHBondContact O-N 3Å; V133-L135 VanDerWaalsContact C-N 3.26Å; V133-L135 HydrophobicContact CG1-CB 4.32Å; V133-L135 HydrophobicContact CG1-CD1 3.57Å; V133-L135 HydrophobicContact CG1-CG 3.87Å; V133-L135 PolarHBondContact O-N 3.34Å; L135-Q137 PolarHBondContact O-N 3.13Å; L135-Q137 VanDerWaalsContact O-N 3.14Å; L135-Y138 HydrophobicContact CB-CD2 4.07Å; L135-Y138 HydrophobicContact CD1-CD2 4.32Å; L135-Y138 HydrophobicContact CD1-CE2 4.37Å; L135-Y138 HydrophobicContact CD2-CE2 4.44Å; L135-Y138 PolarHBondContact O-N 3.29Å; L135-H174 HydrophobicContact CD1-CB 4.24Å; L135-H174 HydrophobicContact CD2-CB 4.29Å; L135-L178 HydrophobicContact CD1-CB 4.04Å | ||
| 136 | P | 87.8 | Confident | 88.4 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -65.4 | -18.5 | -178.6 | 28.4 | -35.9 | 0 | 0 | 0 | 113.5 | V130 E134 Y138 R139 | V130-P136 HydrophobicContact CG1-CB 4.47Å; V130-P136 HydrophobicContact CG2-CB 4.26Å; E134-P136 VanDerWaalsContact O-CD 3.25Å; E134-P136 WeakPolarHBondContact O-CD 3.49Å; P136-Y138 VanDerWaalsContact C-N 3.28Å; P136-Y138 PolarHBondContact O-N 3.28Å; P136-R139 WeakPolarHBondContact O-CB 3.49Å; P136-R139 PolarHBondContact O-N 3.44Å |
| 137 | Q | 88.1 | Confident | 88.1 | Confident | 141 Ų | 141 | 70.7 Ų | 70.7 | 66% | 0.659 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -64 | -30.5 | -178.2 | -61.5 | 174.8 | 11.2 | 0 | 0 | 113.1 | L135 R139 | L135-Q137 PolarHBondContact O-N 3.13Å; L135-Q137 VanDerWaalsContact O-N 3.14Å; Q137-R139 VanDerWaalsContact C-N 3.33Å |
| 138 | Y | 88.5 | Confident | 88 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -92.5 | 6 | -179.9 | -56.2 | -65.4 | 0 | 0 | 0 | 113.1 | L135 P136 E140 V141 F142 I169 H174 | L135-Y138 HydrophobicContact CB-CD2 4.07Å; L135-Y138 HydrophobicContact CD1-CD2 4.32Å; L135-Y138 HydrophobicContact CD1-CE2 4.37Å; L135-Y138 HydrophobicContact CD2-CE2 4.44Å; L135-Y138 PolarHBondContact O-N 3.29Å; P136-Y138 VanDerWaalsContact C-N 3.28Å; P136-Y138 PolarHBondContact O-N 3.28Å; Y138-E140 VanDerWaalsContact C-N 3.27Å; Y138-E140 PolarHBondContact O-N 2.93Å; Y138-V141 PolarHBondContact O-N 3.36Å; Y138-V141 VanDerWaalsContact O-N 3.16Å; Y138-F142 VanDerWaalsContact O-CD2 3.24Å; Y138-F142 WeakPolarHBondContact O-CD2 3.4Å; Y138-F142 PolarHBondContact O-N 3.48Å; Y138-I169 HydrophobicContact CD1-CD1 4.2Å; Y138-I169 HydrophobicContact CD1-CG1 3.86Å; Y138-I169 HydrophobicContact CD2-CD1 4.25Å; Y138-I169 HydrophobicContact CE1-CB 4.38Å; Y138-I169 HydrophobicContact CE1-CD1 4.39Å; Y138-I169 HydrophobicContact CE1-CG1 3.75Å; Y138-I169 HydrophobicContact CE1-CG2 4.23Å; Y138-I169 HydrophobicContact CE2-CD1 4.45Å; Y138-I169 HydrophobicContact CE2-CG2 4.23Å; Y138-I169 HydrophobicContact CG-CD1 4.13Å; Y138-I169 HydrophobicContact CG-CG1 4.31Å; Y138-H174 HydrophobicContact CE2-CB 3.85Å; Y138-H174 AromaticContact CE2-CG 3.96Å; Y138-H174 AromaticContact CE2-ND1 3.39Å; Y138-H174 WeakPolarHBondContact CE2-ND1 3.45Å; Y138-H174 AromaticContact CZ-ND1 3.52Å; Y138-H174 PolarHBondContact OH-ND1 3.07Å |
| 139 | R | 89.2 | Confident | 87.8 | Confident | 129 Ų | 129 | 70.5 Ų | 70.5 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53 | -46.6 | 178 | 172.7 | 172.9 | -177.4 | -169.2 | 3.2 | 111.9 | I126 P136 Q137 V141 F142 E143 | I126-R139 HydrophobicContact CG2-CG 3.72Å; P136-R139 WeakPolarHBondContact O-CB 3.49Å; P136-R139 PolarHBondContact O-N 3.44Å; Q137-R139 VanDerWaalsContact C-N 3.33Å; R139-V141 VanDerWaalsContact C-N 3.32Å; R139-V141 PolarHBondContact O-N 3.45Å; R139-F142 PolarHBondContact O-N 3.5Å; R139-E143 WeakPolarHBondContact O-CB 3.43Å; R139-E143 PolarHBondContact O-N 2.85Å |
| 140 | E | 86.9 | Confident | 87.6 | Confident | 135 Ų | 135 | 73 Ų | 73 | 63% | 0.631 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.4 | -37.5 | -177.5 | -63.6 | -179 | -175.1 | 0 | 0 | 111.8 | Y138 E143 Q144 | Y138-E140 VanDerWaalsContact C-N 3.27Å; Y138-E140 PolarHBondContact O-N 2.93Å; E140-E143 PolarHBondContact O-N 3.43Å; E140-Q144 VanDerWaalsContact O-CB 3.3Å; E140-Q144 WeakPolarHBondContact O-CB 3.41Å; E140-Q144 WeakPolarHBondContact O-CG 3.48Å; E140-Q144 PolarHBondContact O-N 2.98Å |
| 141 | V | 88.4 | Confident | 87.6 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Y138 R139 E143 Q144 M145 L167 | Y138-V141 PolarHBondContact O-N 3.36Å; Y138-V141 VanDerWaalsContact O-N 3.16Å; R139-V141 VanDerWaalsContact C-N 3.32Å; R139-V141 PolarHBondContact O-N 3.45Å; V141-E143 VanDerWaalsContact C-N 3.34Å; V141-E143 PolarHBondContact O-N 3.39Å; V141-Q144 PolarHBondContact O-N 2.94Å; V141-M145 WeakPolarHBondContact O-CB 3.46Å; V141-M145 WeakPolarHBondContact O-CG 3.47Å; V141-M145 PolarHBondContact O-N 3.23Å; V141-L167 HydrophobicContact CG1-CB 4.41Å; V141-L167 HydrophobicContact CG1-CD2 3.9Å |
| 142 | F | 89.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 178.6 | -83.4 | -125.8 | 0 | 0 | 0 | 111.6 | M125 I126 L129 Y138 R139 K146 L147 L155 L167 L178 | M125-F142 HydrophobicContact CG-CD1 3.94Å; M125-F142 HydrophobicContact CG-CE1 4.06Å; M125-F142 HydrophobicContact SD-CD1 3.24Å; M125-F142 WeakPolarHBondContact SD-CD1 3.21Å; M125-F142 HydrophobicContact SD-CE1 3.38Å; M125-F142 WeakPolarHBondContact SD-CE1 3.3Å; M125-F142 HydrophobicContact SD-CG 4.44Å; I126-F142 HydrophobicContact CG1-CB 4.21Å; L129-F142 HydrophobicContact CD1-CE1 4.32Å; L129-F142 HydrophobicContact CD1-CE2 4.49Å; L129-F142 HydrophobicContact CD1-CZ 4.14Å; L129-F142 HydrophobicContact CD2-CB 4.44Å; L129-F142 HydrophobicContact CD2-CD1 3.95Å; L129-F142 HydrophobicContact CD2-CD2 3.9Å; L129-F142 HydrophobicContact CD2-CE1 4.21Å; L129-F142 HydrophobicContact CD2-CE2 4.13Å; L129-F142 HydrophobicContact CD2-CG 3.83Å; L129-F142 HydrophobicContact CD2-CZ 4.3Å; Y138-F142 VanDerWaalsContact O-CD2 3.24Å; Y138-F142 WeakPolarHBondContact O-CD2 3.4Å; Y138-F142 PolarHBondContact O-N 3.48Å; R139-F142 PolarHBondContact O-N 3.5Å; F142-K146 PolarHBondContact O-N 2.94Å; F142-K146 VanDerWaalsContact O-N 3.16Å; F142-L147 HydrophobicContact CB-CD1 4.39Å; F142-L147 HydrophobicContact CD1-CD1 3.84Å; F142-L147 HydrophobicContact CD2-CD1 3.96Å; F142-L147 HydrophobicContact CE1-CD1 3.98Å; F142-L147 HydrophobicContact CE2-CD1 4.12Å; F142-L147 HydrophobicContact CG-CD1 3.8Å; F142-L147 HydrophobicContact CZ-CD1 4.11Å; F142-L147 PolarHBondContact O-N 3.23Å; F142-L155 HydrophobicContact CE1-CD1 4.5Å; F142-L155 HydrophobicContact CZ-CD1 4.43Å; F142-L167 HydrophobicContact CE2-CD1 4.07Å; F142-L167 HydrophobicContact CE2-CD2 4.42Å; F142-L167 HydrophobicContact CZ-CD1 4.29Å; F142-L178 HydrophobicContact CE2-CD2 4.43Å; F142-L178 HydrophobicContact CZ-CD2 3.95Å |
| 143 | E | 90.2 | Very high | 88.1 | Confident | 106 Ų | 106 | 63.5 Ų | 63.5 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 176.6 | -169.2 | 164.9 | -163.3 | 0 | 0 | 111.8 | I126 R139 E140 V141 K146 | I126-E143 HydrophobicContact CD1-CB 3.91Å; I126-E143 HydrophobicContact CD1-CG 4.31Å; R139-E143 WeakPolarHBondContact O-CB 3.43Å; R139-E143 PolarHBondContact O-N 2.85Å; E140-E143 PolarHBondContact O-N 3.43Å; V141-E143 VanDerWaalsContact C-N 3.34Å; V141-E143 PolarHBondContact O-N 3.39Å; E143-K146 PolarHBondContact O-N 3.25Å |
| 144 | Q | 88.9 | Confident | 88.2 | Confident | 149 Ų | 149 | 66.8 Ų | 66.8 | 70% | 0.696 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 179.1 | -74.3 | 171.3 | 19.7 | 0 | 0 | 112.5 | E140 V141 K146 | E140-Q144 VanDerWaalsContact O-CB 3.3Å; E140-Q144 WeakPolarHBondContact O-CB 3.41Å; E140-Q144 WeakPolarHBondContact O-CG 3.48Å; E140-Q144 PolarHBondContact O-N 2.98Å; V141-Q144 PolarHBondContact O-N 2.94Å; Q144-K146 VanDerWaalsContact C-N 3.27Å; Q144-K146 PolarHBondContact O-N 3.05Å |
| 145 | M | 84.8 | Confident | 88.3 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -80.8 | -5.1 | -179.6 | -68.7 | -158.7 | 172.3 | 0 | 0 | 114.1 | V141 L147 E166 L167 | V141-M145 WeakPolarHBondContact O-CB 3.46Å; V141-M145 WeakPolarHBondContact O-CG 3.47Å; V141-M145 PolarHBondContact O-N 3.23Å; M145-L147 VanDerWaalsContact C-N 3.27Å; M145-L147 HydrophobicContact CB-CD2 3.87Å; M145-L147 HydrophobicContact CB-CG 3.9Å; M145-L147 PolarHBondContact O-N 3.42Å; M145-E166 WeakPolarHBondContact CE-O 3.34Å; M145-L167 HydrophobicContact SD-CD2 3.76Å |
| 146 | K | 87.6 | Confident | 88.4 | Confident | 155 Ų | 155 | 60.4 Ų | 60.4 | 67% | 0.674 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 46.5 | -178.1 | -63.2 | -175.2 | 178.8 | -179.7 | 0 | 113.5 | N122 F142 E143 Q144 N148 | N122-K146 WeakPolarHBondContact ND2-CA 3.36Å; F142-K146 PolarHBondContact O-N 2.94Å; F142-K146 VanDerWaalsContact O-N 3.16Å; E143-K146 PolarHBondContact O-N 3.25Å; Q144-K146 VanDerWaalsContact C-N 3.27Å; Q144-K146 PolarHBondContact O-N 3.05Å; K146-N148 PolarHBondContact O-N 3.41Å |
| 147 | L | 86 | Confident | 88.3 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | trans | -67.6 | 126.4 | 179.9 | -58.6 | 178.7 | 0 | 0 | 0 | 109.7 | N122 M125 F142 M145 I151 F162 L167 | N122-L147 WeakPolarHBondContact CA-O 3.34Å; M125-L147 HydrophobicContact CE-CB 3.6Å; M125-L147 VanDerWaalsContact CE-O 3.23Å; M125-L147 WeakPolarHBondContact CE-O 3.42Å; M125-L147 HydrophobicContact SD-CB 3.44Å; M125-L147 WeakPolarHBondContact SD-CB 3.4Å; M125-L147 HydrophobicContact SD-CD1 4.38Å; F142-L147 HydrophobicContact CB-CD1 4.39Å; F142-L147 HydrophobicContact CD1-CD1 3.84Å; F142-L147 HydrophobicContact CD2-CD1 3.96Å; F142-L147 HydrophobicContact CE1-CD1 3.98Å; F142-L147 HydrophobicContact CE2-CD1 4.12Å; F142-L147 HydrophobicContact CG-CD1 3.8Å; F142-L147 HydrophobicContact CZ-CD1 4.11Å; F142-L147 PolarHBondContact O-N 3.23Å; M145-L147 VanDerWaalsContact C-N 3.27Å; M145-L147 HydrophobicContact CB-CD2 3.87Å; M145-L147 HydrophobicContact CB-CG 3.9Å; M145-L147 PolarHBondContact O-N 3.42Å; L147-I151 HydrophobicContact CB-CG2 4.25Å; L147-F162 HydrophobicContact CD2-CZ 4.09Å; L147-L167 HydrophobicContact CD1-CD1 4.43Å; L147-L167 HydrophobicContact CD1-CD2 3.51Å | ||
| 148 | N | 88.4 | Confident | 87.8 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | trans | -109.8 | 165.1 | 176.1 | -63.5 | -35.1 | 0 | 0 | 0 | 110.7 | N122 M125 K146 S150 I151 | N122-N148 PolarHBondContact N-OD1 3.36Å; M125-N148 WeakPolarHBondContact CE-O 3.47Å; K146-N148 PolarHBondContact O-N 3.41Å; N148-S150 PolarHBondContact O-N 3.43Å; N148-I151 VanDerWaalsContact O-CG2 3.27Å; N148-I151 WeakPolarHBondContact O-CG2 3.41Å; N148-I151 PolarHBondContact O-N 2.94Å | ||
| 149 | G | 87.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -51.2 | -25.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | W112 V117 W120 I151 L152 | W112-G149 WeakPolarHBondContact CH2-O 3.44Å; W112-G149 WeakPolarHBondContact CZ2-O 3.16Å; V117-G149 WeakPolarHBondContact O-CA 3.35Å; W120-G149 PolarHBondContact O-N 3.01Å; W120-G149 VanDerWaalsContact O-N 3.08Å; G149-I151 PolarHBondContact O-N 3.43Å; G149-L152 WeakPolarHBondContact O-CB 3.44Å; G149-L152 PolarHBondContact O-N 3.33Å |
| 150 | S | 87.3 | Confident | 86.4 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58.3 | -25.3 | 175.2 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | N148 L152 P153 | N148-S150 PolarHBondContact O-N 3.43Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-P153 WeakPolarHBondContact O-CD 3.42Å |
| 151 | I | 89.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -79.2 | -14.3 | -179.2 | -157.2 | 84 | 0 | 0 | 0 | 113.2 | M125 L147 N148 G149 P153 R154 L155 F162 | M125-I151 HydrophobicContact CE-CG2 3.51Å; M125-I151 HydrophobicContact SD-CG2 4.46Å; L147-I151 HydrophobicContact CB-CG2 4.25Å; N148-I151 VanDerWaalsContact O-CG2 3.27Å; N148-I151 WeakPolarHBondContact O-CG2 3.41Å; N148-I151 PolarHBondContact O-N 2.94Å; G149-I151 PolarHBondContact O-N 3.43Å; I151-P153 VanDerWaalsContact C-CD 3.49Å; I151-R154 VanDerWaalsContact CD1-NH1 3.33Å; I151-R154 HydrophobicContact CG1-CB 4.4Å; I151-R154 WeakPolarHBondContact O-CA 3.34Å; I151-R154 WeakPolarHBondContact O-CB 3.37Å; I151-R154 PolarHBondContact O-N 3.37Å; I151-L155 HydrophobicContact CG2-CD1 3.96Å; I151-L155 HydrophobicContact CG2-CG 4.43Å; I151-L155 PolarHBondContact O-N 2.94Å; I151-F162 HydrophobicContact CD1-CE1 4Å; I151-F162 HydrophobicContact CD1-CE2 3.67Å; I151-F162 HydrophobicContact CD1-CZ 3.36Å; I151-F162 HydrophobicContact CG1-CD1 4.4Å; I151-F162 HydrophobicContact CG1-CE1 3.57Å; I151-F162 HydrophobicContact CG1-CE2 4.19Å; I151-F162 HydrophobicContact CG1-CZ 3.46Å; I151-F162 VanDerWaalsContact CG1-CZ 3.46Å |
| 152 | L | 91 | Very high | 85.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57 | -39.2 | -171.5 | -81.2 | 163.9 | 0 | 0 | 0 | 114.5 | W112 V117 W120 W128 G149 S150 R154 L155 A156 A182 V185 V186 | W112-L152 HydrophobicContact CH2-CB 3.82Å; W112-L152 HydrophobicContact CH2-CD1 4.25Å; W112-L152 HydrophobicContact CZ2-CB 4.45Å; V117-L152 HydrophobicContact CG1-CD1 3.26Å; W120-L152 HydrophobicContact CE3-CD1 3.92Å; W120-L152 HydrophobicContact CZ3-CD1 3.94Å; W128-L152 HydrophobicContact CE3-CD2 4.31Å; W128-L152 HydrophobicContact CH2-CD2 3.66Å; W128-L152 HydrophobicContact CZ2-CD2 4.25Å; W128-L152 HydrophobicContact CZ3-CD2 3.7Å; G149-L152 WeakPolarHBondContact O-CB 3.44Å; G149-L152 PolarHBondContact O-N 3.33Å; S150-L152 VanDerWaalsContact C-N 3.33Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 3.03Å; L152-L155 HydrophobicContact CD2-CD1 4.22Å; L152-L155 WeakPolarHBondContact O-CB 3.31Å; L152-L155 PolarHBondContact O-N 3.36Å; L152-A156 PolarHBondContact O-N 3.09Å; L152-A182 HydrophobicContact CD2-CB 4.15Å; L152-V185 HydrophobicContact CD1-CG1 4.42Å; L152-V186 HydrophobicContact CB-CG2 4.14Å |
| 153 | P | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -38.9 | 173.6 | -25.4 | 35.5 | 0 | 0 | 0 | 112.7 | A51 I52 W112 S150 I151 L155 A156 C157 V186 | A51-P153 HydrophobicContact CB-CB 3.97Å; I52-P153 HydrophobicContact CD1-CB 4.24Å; I52-P153 HydrophobicContact CD1-CG 4.12Å; I52-P153 HydrophobicContact CG1-CB 3.93Å; I52-P153 HydrophobicContact CG1-CG 4.36Å; W112-P153 HydrophobicContact CD2-CG 3.86Å; W112-P153 HydrophobicContact CE3-CG 4.47Å; W112-P153 HydrophobicContact CG-CG 4.34Å; W112-P153 HydrophobicContact CH2-CG 4.17Å; W112-P153 HydrophobicContact CZ2-CG 3.5Å; W112-P153 VanDerWaalsContact CZ2-CG 3.5Å; S150-P153 WeakPolarHBondContact O-CD 3.42Å; I151-P153 VanDerWaalsContact C-CD 3.49Å; P153-L155 VanDerWaalsContact C-N 3.25Å; P153-L155 PolarHBondContact O-N 3.49Å; P153-A156 PolarHBondContact O-N 3.33Å; P153-A156 VanDerWaalsContact O-N 3.14Å; P153-C157 PolarHBondContact O-N 3.12Å; P153-C157 PolarHBondContact O-SG 3.4Å; P153-C157 VanDerWaalsContact O-SG 3.42Å; P153-V186 HydrophobicContact CG-CG2 4.24Å |
| 154 | R | 88.5 | Confident | 84.9 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.8 | -27.9 | 176.4 | -63.2 | 176.1 | 63.4 | -165.7 | -2.8 | 112.4 | A51 I151 L152 E166 | A51-R154 HydrophobicContact CB-CG 4.21Å; I151-R154 VanDerWaalsContact CD1-NH1 3.33Å; I151-R154 HydrophobicContact CG1-CB 4.4Å; I151-R154 WeakPolarHBondContact O-CA 3.34Å; I151-R154 WeakPolarHBondContact O-CB 3.37Å; I151-R154 PolarHBondContact O-N 3.37Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 3.03Å; R154-E166 IonicContact NH2-OE1 3.53Å; R154-E166 PolarHBondContact NH2-OE1 3.44Å |
| 155 | L | 89.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.3 | -26.9 | 173.6 | -68.6 | 173.2 | 0 | 0 | 0 | 113.1 | F142 I151 L152 P153 F162 M163 L167 A182 | F142-L155 HydrophobicContact CE1-CD1 4.5Å; F142-L155 HydrophobicContact CZ-CD1 4.43Å; I151-L155 HydrophobicContact CG2-CD1 3.96Å; I151-L155 HydrophobicContact CG2-CG 4.43Å; I151-L155 PolarHBondContact O-N 2.94Å; L152-L155 HydrophobicContact CD2-CD1 4.22Å; L152-L155 WeakPolarHBondContact O-CB 3.31Å; L152-L155 PolarHBondContact O-N 3.36Å; P153-L155 VanDerWaalsContact C-N 3.25Å; P153-L155 PolarHBondContact O-N 3.49Å; L155-F162 HydrophobicContact CD2-CD1 3.65Å; L155-F162 HydrophobicContact CD2-CE1 3.88Å; L155-F162 HydrophobicContact CG-CD1 4.4Å; L155-F162 HydrophobicContact CG-CE1 4.46Å; L155-M163 HydrophobicContact CD2-CG 3.78Å; L155-M163 HydrophobicContact CD2-SD 4.39Å; L155-L167 HydrophobicContact CD2-CD1 3.61Å; L155-A182 HydrophobicContact CB-CB 3.96Å |
| 156 | A | 89.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77.7 | -21.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L55 L152 P153 Q179 A182 L183 | L55-A156 HydrophobicContact CD1-CB 3.82Å; L55-A156 HydrophobicContact CD2-CB 4.34Å; L152-A156 PolarHBondContact O-N 3.09Å; P153-A156 PolarHBondContact O-N 3.33Å; P153-A156 VanDerWaalsContact O-N 3.14Å; A156-Q179 WeakPolarHBondContact O-CG 3.44Å; A156-Q179 PolarHBondContact O-NE2 3.32Å; A156-Q179 VanDerWaalsContact O-NE2 3.11Å; A156-A182 HydrophobicContact CB-CB 4.09Å; A156-L183 HydrophobicContact CB-CB 3.97Å |
| 157 | C | 85.5 | Confident | 83.7 | Confident | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -61.1 | 137.1 | -178.8 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | A51 P153 N159 G160 | A51-C157 WeakPolarHBondContact CA-SG 3.49Å; A51-C157 WeakPolarHBondContact CB-SG 3.26Å; P153-C157 PolarHBondContact O-N 3.12Å; P153-C157 PolarHBondContact O-SG 3.4Å; P153-C157 VanDerWaalsContact O-SG 3.42Å; C157-N159 PolarHBondContact O-N 3.35Å; C157-G160 PolarHBondContact O-N 3.16Å |
| 158 | P | 78.4 | Confident | 83.5 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -36.1 | 175.7 | -25.2 | 33.8 | 0 | 0 | 0 | 114.1 | G160 R175 | P158-G160 PolarHBondContact O-N 2.9Å; P158-R175 PolarHBondContact O-NH2 2.69Å |
| 159 | N | 75 | Confident | 83.2 | Confident | 103 Ų | 103 | 36.9 Ų | 36.9 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.2 | -174 | -69.3 | -30.8 | 0 | 0 | 0 | 112.2 | Q54 C157 S161 R175 | Q54-N159 PolarHBondContact OE1-ND2 3.46Å; C157-N159 PolarHBondContact O-N 3.35Å; N159-S161 PolarHBondContact O-N 3.38Å; N159-R175 PolarHBondContact O-NH2 3.5Å |
| 160 | G | 73.7 | Confident | 82.8 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | 39.1 | 25.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C157 P158 F162 M163 T164 R175 | C157-G160 PolarHBondContact O-N 3.16Å; P158-G160 PolarHBondContact O-N 2.9Å; G160-F162 VanDerWaalsContact C-N 3.26Å; G160-F162 PolarHBondContact O-N 3.39Å; G160-M163 PolarHBondContact O-N 3.3Å; G160-M163 VanDerWaalsContact O-N 3.12Å; G160-T164 PolarHBondContact O-N 3.22Å; G160-T164 PolarHBondContact O-OG1 2.95Å; G160-R175 PolarHBondContact O-NH1 2.73Å | ||
| 161 | S | 79 | Confident | 82.8 | Confident | 75 Ų | 75 | 43.1 Ų | 43.1 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | N159 M163 T164 S165 | N159-S161 PolarHBondContact O-N 3.38Å; S161-M163 VanDerWaalsContact C-N 3.31Å; S161-M163 PolarHBondContact O-N 3.37Å; S161-T164 PolarHBondContact O-N 3.2Å; S161-S165 WeakPolarHBondContact O-CA 3.32Å; S161-S165 WeakPolarHBondContact O-CB 3.4Å; S161-S165 PolarHBondContact O-N 3.05Å; S161-S165 PolarHBondContact O-OG 3.41Å; S161-S165 VanDerWaalsContact O-OG 3.13Å |
| 162 | F | 79.5 | Confident | 82.6 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57 | -43 | 171.8 | -173.5 | -101.9 | 0 | 0 | 0 | 112.8 | L147 I151 L155 G160 E166 L167 | L147-F162 HydrophobicContact CD2-CZ 4.09Å; I151-F162 HydrophobicContact CD1-CE1 4Å; I151-F162 HydrophobicContact CD1-CE2 3.67Å; I151-F162 HydrophobicContact CD1-CZ 3.36Å; I151-F162 HydrophobicContact CG1-CD1 4.4Å; I151-F162 HydrophobicContact CG1-CE1 3.57Å; I151-F162 HydrophobicContact CG1-CE2 4.19Å; I151-F162 HydrophobicContact CG1-CZ 3.46Å; I151-F162 VanDerWaalsContact CG1-CZ 3.46Å; L155-F162 HydrophobicContact CD2-CD1 3.65Å; L155-F162 HydrophobicContact CD2-CE1 3.88Å; L155-F162 HydrophobicContact CG-CD1 4.4Å; L155-F162 HydrophobicContact CG-CE1 4.46Å; G160-F162 VanDerWaalsContact C-N 3.26Å; G160-F162 PolarHBondContact O-N 3.39Å; F162-E166 HydrophobicContact CD2-CB 4.12Å; F162-E166 HydrophobicContact CD2-CG 3.93Å; F162-E166 WeakPolarHBondContact CD2-OE1 3.39Å; F162-E166 HydrophobicContact CE2-CB 4.09Å; F162-E166 HydrophobicContact CE2-CG 4.08Å; F162-E166 WeakPolarHBondContact CE2-OE1 3.35Å; F162-E166 WeakPolarHBondContact CE2-OE2 3.48Å; F162-E166 HydrophobicContact CZ-CB 4.48Å; F162-E166 WeakPolarHBondContact O-CA 3.48Å; F162-E166 WeakPolarHBondContact O-CB 3.32Å; F162-E166 PolarHBondContact O-N 3.45Å; F162-L167 HydrophobicContact CD1-CD1 4.13Å; F162-L167 HydrophobicContact CD1-CG 4.37Å; F162-L167 HydrophobicContact CE1-CD1 3.91Å; F162-L167 HydrophobicContact CE1-CD2 4.4Å; F162-L167 HydrophobicContact CE1-CG 4.05Å; F162-L167 PolarHBondContact O-N 3.42Å; F162-L167 VanDerWaalsContact O-N 3.15Å |
| 163 | M | 81.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.1 | -34.4 | -177.6 | -58.1 | -179.8 | 72.6 | 0 | 0 | 112.7 | L155 G160 S161 L167 H168 I169 R175 L178 | L155-M163 HydrophobicContact CD2-CG 3.78Å; L155-M163 HydrophobicContact CD2-SD 4.39Å; G160-M163 PolarHBondContact O-N 3.3Å; G160-M163 VanDerWaalsContact O-N 3.12Å; S161-M163 VanDerWaalsContact C-N 3.31Å; S161-M163 PolarHBondContact O-N 3.37Å; M163-L167 HydrophobicContact CG-CD1 4.48Å; M163-L167 CarbonylContact O-C 3.59Å; M163-L167 WeakPolarHBondContact O-CB 3.29Å; M163-H168 PolarHBondContact O-N 2.92Å; M163-I169 HydrophobicContact CE-CD1 4.31Å; M163-I169 PolarHBondContact O-N 2.87Å; M163-R175 HydrophobicContact CB-CG 4.28Å; M163-R175 HydrophobicContact CE-CB 4.17Å; M163-R175 HydrophobicContact CE-CG 3.88Å; M163-R175 WeakPolarHBondContact CE-O 3.44Å; M163-R175 HydrophobicContact SD-CG 3.74Å; M163-L178 HydrophobicContact CE-CB 3.75Å; M163-L178 HydrophobicContact CE-CD2 3.4Å; M163-L178 HydrophobicContact CE-CG 3.62Å |
| 164 | T | 81.8 | Confident | 82.4 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -84.6 | -43.2 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | G160 S161 R175 | G160-T164 PolarHBondContact O-N 3.22Å; G160-T164 PolarHBondContact O-OG1 2.95Å; S161-T164 PolarHBondContact O-N 3.2Å; T164-R175 PolarHBondContact OG1-NH1 3.21Å |
| 165 | S | 80.4 | Confident | 82.5 | Confident | 86 Ų | 86 | 52 Ų | 52 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -83.2 | -41.4 | -175.5 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | S161 | S161-S165 WeakPolarHBondContact O-CA 3.32Å; S161-S165 WeakPolarHBondContact O-CB 3.4Å; S161-S165 PolarHBondContact O-N 3.05Å; S161-S165 PolarHBondContact O-OG 3.41Å; S161-S165 VanDerWaalsContact O-OG 3.13Å |
| 166 | E | 77.5 | Confident | 82.5 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -49.3 | -177.5 | -58.6 | -170.9 | -143.5 | 0 | 0 | 110.9 | M145 R154 F162 H168 | M145-E166 WeakPolarHBondContact CE-O 3.34Å; R154-E166 IonicContact NH2-OE1 3.53Å; R154-E166 PolarHBondContact NH2-OE1 3.44Å; F162-E166 HydrophobicContact CD2-CB 4.12Å; F162-E166 HydrophobicContact CD2-CG 3.93Å; F162-E166 WeakPolarHBondContact CD2-OE1 3.39Å; F162-E166 HydrophobicContact CE2-CB 4.09Å; F162-E166 HydrophobicContact CE2-CG 4.08Å; F162-E166 WeakPolarHBondContact CE2-OE1 3.35Å; F162-E166 WeakPolarHBondContact CE2-OE2 3.48Å; F162-E166 HydrophobicContact CZ-CB 4.48Å; F162-E166 WeakPolarHBondContact O-CA 3.48Å; F162-E166 WeakPolarHBondContact O-CB 3.32Å; F162-E166 PolarHBondContact O-N 3.45Å; E166-H168 VanDerWaalsContact C-N 3.33Å; E166-H168 PolarHBondContact O-N 3.31Å |
| 167 | L | 79.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -83.4 | -5.4 | -175 | -58.4 | 175.5 | 0 | 0 | 0 | 115 | V141 F142 M145 L147 L155 F162 M163 I169 | V141-L167 HydrophobicContact CG1-CB 4.41Å; V141-L167 HydrophobicContact CG1-CD2 3.9Å; F142-L167 HydrophobicContact CE2-CD1 4.07Å; F142-L167 HydrophobicContact CE2-CD2 4.42Å; F142-L167 HydrophobicContact CZ-CD1 4.29Å; M145-L167 HydrophobicContact SD-CD2 3.76Å; L147-L167 HydrophobicContact CD1-CD1 4.43Å; L147-L167 HydrophobicContact CD1-CD2 3.51Å; L155-L167 HydrophobicContact CD2-CD1 3.61Å; F162-L167 HydrophobicContact CD1-CD1 4.13Å; F162-L167 HydrophobicContact CD1-CG 4.37Å; F162-L167 HydrophobicContact CE1-CD1 3.91Å; F162-L167 HydrophobicContact CE1-CD2 4.4Å; F162-L167 HydrophobicContact CE1-CG 4.05Å; F162-L167 PolarHBondContact O-N 3.42Å; F162-L167 VanDerWaalsContact O-N 3.15Å; M163-L167 HydrophobicContact CG-CD1 4.48Å; M163-L167 CarbonylContact O-C 3.59Å; M163-L167 WeakPolarHBondContact O-CB 3.29Å; L167-I169 HydrophobicContact CB-CD1 3.93Å; L167-I169 HydrophobicContact CB-CG1 3.83Å; L167-I169 HydrophobicContact CD1-CD1 4.15Å; L167-I169 PolarHBondContact O-N 2.96Å; L167-I169 VanDerWaalsContact O-N 3.08Å |
| 168 | H | 81.7 | Confident | 82.6 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 69% | 0.694 | 33% | 0.333 | S | S | * | . | trans | 51 | 30.8 | -176.7 | -59.3 | 162.2 | 0 | 0 | 0 | 113.9 | M163 E166 S170 | M163-H168 PolarHBondContact O-N 2.92Å; E166-H168 VanDerWaalsContact C-N 3.33Å; E166-H168 PolarHBondContact O-N 3.31Å; H168-S170 PolarHBondContact O-N 3.41Å; H168-S170 VanDerWaalsContact O-N 3.11Å | ||
| 169 | I | 81.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | trans | -82.3 | 92.7 | 176 | -57.1 | 177.3 | 0 | 0 | 0 | 107.7 | Y138 M163 L167 H174 R175 L178 | Y138-I169 HydrophobicContact CD1-CD1 4.2Å; Y138-I169 HydrophobicContact CD1-CG1 3.86Å; Y138-I169 HydrophobicContact CD2-CD1 4.25Å; Y138-I169 HydrophobicContact CE1-CB 4.38Å; Y138-I169 HydrophobicContact CE1-CD1 4.39Å; Y138-I169 HydrophobicContact CE1-CG1 3.75Å; Y138-I169 HydrophobicContact CE1-CG2 4.23Å; Y138-I169 HydrophobicContact CE2-CD1 4.45Å; Y138-I169 HydrophobicContact CE2-CG2 4.23Å; Y138-I169 HydrophobicContact CG-CD1 4.13Å; Y138-I169 HydrophobicContact CG-CG1 4.31Å; M163-I169 HydrophobicContact CE-CD1 4.31Å; M163-I169 PolarHBondContact O-N 2.87Å; L167-I169 HydrophobicContact CB-CD1 3.93Å; L167-I169 HydrophobicContact CB-CG1 3.83Å; L167-I169 HydrophobicContact CD1-CD1 4.15Å; L167-I169 PolarHBondContact O-N 2.96Å; L167-I169 VanDerWaalsContact O-N 3.08Å; I169-H174 HydrophobicContact CG2-CB 4.12Å; I169-R175 HydrophobicContact CG2-CB 4.39Å; I169-L178 HydrophobicContact CD1-CD2 3.96Å | ||
| 170 | S | 78.4 | Confident | 83.9 | Confident | 115 Ų | 115 | 53.3 Ų | 53.3 | 80% | 0.804 | 30% | 0.303 | S | S | * | . | trans | -77.5 | -26 | -179.8 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | H168 A172 | H168-S170 PolarHBondContact O-N 3.41Å; H168-S170 VanDerWaalsContact O-N 3.11Å; S170-A172 PolarHBondContact O-N 2.87Å | ||
| 171 | N | 87.2 | Confident | 84.6 | Confident | 67 Ų | 67 | 57 Ų | 57 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | trans | -74.4 | 114.1 | -177.1 | -171 | -20.9 | 0 | 0 | 0 | 111 | V173 H174 R175 | N171-V173 VanDerWaalsContact C-N 3.27Å; N171-V173 PolarHBondContact O-N 3.44Å; N171-V173 PolarHBondContact OD1-N 3.3Å; N171-H174 HydrophobicContact CB-CB 4.23Å; N171-H174 PolarHBondContact O-N 2.87Å; N171-R175 PolarHBondContact O-N 3.49Å | ||
| 172 | A | 86.5 | Confident | 85.1 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.8 | -35.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S170 R175 H176 | S170-A172 PolarHBondContact O-N 2.87Å; A172-R175 PolarHBondContact O-N 3.31Å; A172-H176 WeakPolarHBondContact O-CB 3.34Å; A172-H176 PolarHBondContact O-N 3.1Å |
| 173 | V | 87.1 | Confident | 85.6 | Confident | 103 Ų | 103 | 53.1 Ų | 53.1 | 62% | 0.624 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.5 | -44.7 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | N171 H176 K177 | N171-V173 VanDerWaalsContact C-N 3.27Å; N171-V173 PolarHBondContact O-N 3.44Å; N171-V173 PolarHBondContact OD1-N 3.3Å; V173-H176 PolarHBondContact O-N 3.44Å; V173-K177 WeakPolarHBondContact O-CB 3.46Å; V173-K177 PolarHBondContact O-N 3.09Å |
| 174 | H | 89.7 | Confident | 85.9 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 179.4 | -66.2 | -176.1 | 0 | 0 | 0 | 111 | L135 Y138 I169 N171 K177 L178 | L135-H174 HydrophobicContact CD1-CB 4.24Å; L135-H174 HydrophobicContact CD2-CB 4.29Å; Y138-H174 HydrophobicContact CE2-CB 3.85Å; Y138-H174 AromaticContact CE2-CG 3.96Å; Y138-H174 AromaticContact CE2-ND1 3.39Å; Y138-H174 WeakPolarHBondContact CE2-ND1 3.45Å; Y138-H174 AromaticContact CZ-ND1 3.52Å; Y138-H174 PolarHBondContact OH-ND1 3.07Å; I169-H174 HydrophobicContact CG2-CB 4.12Å; N171-H174 HydrophobicContact CB-CB 4.23Å; N171-H174 PolarHBondContact O-N 2.87Å; H174-K177 PolarHBondContact O-N 2.8Å; H174-L178 VanDerWaalsContact O-CB 3.28Å; H174-L178 WeakPolarHBondContact O-CB 3.46Å; H174-L178 PolarHBondContact O-N 2.92Å |
| 175 | R | 88.8 | Confident | 86.2 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.9 | -53.2 | 174.2 | 176 | 177.5 | 157 | 170.9 | -9.1 | 110.9 | P158 N159 G160 M163 T164 I169 N171 A172 K177 L178 Q179 | P158-R175 PolarHBondContact O-NH2 2.69Å; N159-R175 PolarHBondContact O-NH2 3.5Å; G160-R175 PolarHBondContact O-NH1 2.73Å; M163-R175 HydrophobicContact CB-CG 4.28Å; M163-R175 HydrophobicContact CE-CB 4.17Å; M163-R175 HydrophobicContact CE-CG 3.88Å; M163-R175 WeakPolarHBondContact CE-O 3.44Å; M163-R175 HydrophobicContact SD-CG 3.74Å; T164-R175 PolarHBondContact OG1-NH1 3.21Å; I169-R175 HydrophobicContact CG2-CB 4.39Å; N171-R175 PolarHBondContact O-N 3.49Å; A172-R175 PolarHBondContact O-N 3.31Å; R175-K177 PolarHBondContact O-N 2.75Å; R175-L178 PolarHBondContact O-N 3.33Å; R175-Q179 VanDerWaalsContact O-CB 3.28Å; R175-Q179 WeakPolarHBondContact O-CB 3.36Å; R175-Q179 PolarHBondContact O-N 3.5Å |
| 176 | H | 89.1 | Confident | 86.6 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 37% | 0.366 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | -179.6 | -175.3 | 60.6 | 0 | 0 | 0 | 112.3 | A172 V173 L178 Q179 L180 | A172-H176 WeakPolarHBondContact O-CB 3.34Å; A172-H176 PolarHBondContact O-N 3.1Å; V173-H176 PolarHBondContact O-N 3.44Å; H176-L178 PolarHBondContact O-N 3.01Å; H176-Q179 PolarHBondContact O-N 3.47Å; H176-L180 WeakPolarHBondContact NE2-CD1 3.43Å; H176-L180 WeakPolarHBondContact O-CB 3.5Å; H176-L180 WeakPolarHBondContact O-CG 3.49Å; H176-L180 PolarHBondContact O-N 2.98Å |
| 177 | K | 88.6 | Confident | 86.9 | Confident | 62 Ų | 62 | 44.4 Ų | 44.4 | 27% | 0.27 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 176.3 | -170 | -177.4 | -172 | -167.4 | 0 | 111.8 | V133 E134 V173 H174 R175 K181 | V133-K177 WeakPolarHBondContact O-CE 3.33Å; V133-K177 PolarHBondContact O-NZ 3.05Å; E134-K177 IonicContact OE2-NZ 3.61Å; E134-K177 PolarHBondContact OE2-NZ 3.4Å; V173-K177 WeakPolarHBondContact O-CB 3.46Å; V173-K177 PolarHBondContact O-N 3.09Å; H174-K177 PolarHBondContact O-N 2.8Å; R175-K177 PolarHBondContact O-N 2.75Å; K177-K181 WeakPolarHBondContact O-CB 3.34Å; K177-K181 VanDerWaalsContact O-CG 3.23Å; K177-K181 WeakPolarHBondContact O-CG 3.3Å; K177-K181 PolarHBondContact O-N 3.49Å; K177-K181 VanDerWaalsContact O-N 3.07Å |
| 178 | L | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 179.1 | 173.4 | 58.2 | 0 | 0 | 0 | 111.2 | W128 L129 V133 L135 F142 M163 I169 H174 R175 H176 K181 A182 | W128-L178 HydrophobicContact CH2-CD1 3.51Å; W128-L178 HydrophobicContact CZ3-CD1 3.58Å; L129-L178 HydrophobicContact CD1-CD1 4Å; L129-L178 HydrophobicContact CD1-CD2 4.49Å; V133-L178 HydrophobicContact CG1-CB 4.14Å; V133-L178 HydrophobicContact CG1-CD1 4Å; V133-L178 HydrophobicContact CG2-CD1 4.15Å; L135-L178 HydrophobicContact CD1-CB 4.04Å; F142-L178 HydrophobicContact CE2-CD2 4.43Å; F142-L178 HydrophobicContact CZ-CD2 3.95Å; M163-L178 HydrophobicContact CE-CB 3.75Å; M163-L178 HydrophobicContact CE-CD2 3.4Å; M163-L178 HydrophobicContact CE-CG 3.62Å; I169-L178 HydrophobicContact CD1-CD2 3.96Å; H174-L178 VanDerWaalsContact O-CB 3.28Å; H174-L178 WeakPolarHBondContact O-CB 3.46Å; H174-L178 PolarHBondContact O-N 2.92Å; R175-L178 PolarHBondContact O-N 3.33Å; H176-L178 PolarHBondContact O-N 3.01Å; L178-K181 PolarHBondContact O-N 3.2Å; L178-A182 VanDerWaalsContact O-CB 3.31Å; L178-A182 WeakPolarHBondContact O-CB 3.33Å; L178-A182 PolarHBondContact O-N 3.46Å |
| 179 | Q | 91 | Very high | 87 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -52.2 | 174.3 | -171.7 | -159.5 | -16.2 | 0 | 0 | 111.6 | A156 R175 H176 K181 A182 L183 | A156-Q179 WeakPolarHBondContact O-CG 3.44Å; A156-Q179 PolarHBondContact O-NE2 3.32Å; A156-Q179 VanDerWaalsContact O-NE2 3.11Å; R175-Q179 VanDerWaalsContact O-CB 3.28Å; R175-Q179 WeakPolarHBondContact O-CB 3.36Å; R175-Q179 PolarHBondContact O-N 3.5Å; H176-Q179 PolarHBondContact O-N 3.47Å; Q179-K181 VanDerWaalsContact C-N 3.28Å; Q179-K181 PolarHBondContact O-N 3.02Å; Q179-A182 PolarHBondContact O-N 3.37Å; Q179-L183 VanDerWaalsContact O-CB 3.28Å; Q179-L183 WeakPolarHBondContact O-CB 3.45Å; Q179-L183 PolarHBondContact O-N 2.98Å |
| 180 | L | 88.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.8 | -39.8 | 178.5 | -74.9 | 179.4 | 0 | 0 | 0 | 112.3 | E79 L80 H176 D184 | E79-L180 HydrophobicContact CG-CD2 4.22Å; E79-L180 VanDerWaalsContact O-CD2 3.24Å; E79-L180 WeakPolarHBondContact O-CD2 3.41Å; L80-L180 HydrophobicContact CD2-CD2 4.49Å; H176-L180 WeakPolarHBondContact NE2-CD1 3.43Å; H176-L180 WeakPolarHBondContact O-CB 3.5Å; H176-L180 WeakPolarHBondContact O-CG 3.49Å; H176-L180 PolarHBondContact O-N 2.98Å; L180-D184 PolarHBondContact O-N 3.06Å |
| 181 | K | 88.8 | Confident | 86.2 | Confident | 80 Ų | 80 | 43.8 Ų | 43.8 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.3 | -40.7 | 177.2 | -68.3 | -69.9 | -177 | 175.3 | 0 | 112.1 | W128 V133 K177 L178 Q179 L183 D184 V185 | W128-K181 HydrophobicContact CH2-CB 4.48Å; W128-K181 HydrophobicContact CZ2-CB 3.84Å; V133-K181 HydrophobicContact CG1-CB 4.38Å; V133-K181 HydrophobicContact CG1-CG 4.21Å; V133-K181 HydrophobicContact CG2-CB 3.9Å; V133-K181 HydrophobicContact CG2-CG 4.25Å; K177-K181 WeakPolarHBondContact O-CB 3.34Å; K177-K181 VanDerWaalsContact O-CG 3.23Å; K177-K181 WeakPolarHBondContact O-CG 3.3Å; K177-K181 PolarHBondContact O-N 3.49Å; K177-K181 VanDerWaalsContact O-N 3.07Å; L178-K181 PolarHBondContact O-N 3.2Å; Q179-K181 VanDerWaalsContact C-N 3.28Å; Q179-K181 PolarHBondContact O-N 3.02Å; K181-L183 VanDerWaalsContact C-N 3.3Å; K181-D184 PolarHBondContact O-N 2.75Å; K181-V185 VanDerWaalsContact O-CG2 3.32Å; K181-V185 WeakPolarHBondContact O-CG2 3.27Å; K181-V185 PolarHBondContact O-N 3.2Å; K181-V185 VanDerWaalsContact O-N 3.17Å |
| 182 | A | 90.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | W128 L152 L155 A156 L178 Q179 V185 V186 | W128-A182 HydrophobicContact CH2-CB 4.05Å; W128-A182 HydrophobicContact CZ2-CB 4.5Å; L152-A182 HydrophobicContact CD2-CB 4.15Å; L155-A182 HydrophobicContact CB-CB 3.96Å; A156-A182 HydrophobicContact CB-CB 4.09Å; L178-A182 VanDerWaalsContact O-CB 3.31Å; L178-A182 WeakPolarHBondContact O-CB 3.33Å; L178-A182 PolarHBondContact O-N 3.46Å; Q179-A182 PolarHBondContact O-N 3.37Å; A182-V185 PolarHBondContact O-N 3.03Å; A182-V186 VanDerWaalsContact O-CG2 3.29Å; A182-V186 WeakPolarHBondContact O-CG2 3.23Å; A182-V186 PolarHBondContact O-N 2.92Å |
| 183 | L | 89.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.6 | -174.9 | 142.9 | 0 | 0 | 0 | 112.3 | L55 F75 L80 A156 Q179 K181 V185 V186 L187 | L55-L183 HydrophobicContact CD2-CD1 3.83Å; F75-L183 HydrophobicContact CE1-CD1 4.29Å; F75-L183 HydrophobicContact CE1-CD2 3.98Å; F75-L183 HydrophobicContact CZ-CD1 3.96Å; F75-L183 HydrophobicContact CZ-CD2 4.39Å; L80-L183 HydrophobicContact CD1-CD2 3.62Å; L80-L183 HydrophobicContact CD2-CD2 3.65Å; L80-L183 HydrophobicContact CG-CD2 3.66Å; A156-L183 HydrophobicContact CB-CB 3.97Å; Q179-L183 VanDerWaalsContact O-CB 3.28Å; Q179-L183 WeakPolarHBondContact O-CB 3.45Å; Q179-L183 PolarHBondContact O-N 2.98Å; K181-L183 VanDerWaalsContact C-N 3.3Å; L183-V185 PolarHBondContact O-N 3.09Å; L183-V186 PolarHBondContact O-N 3.48Å; L183-L187 HydrophobicContact CD2-CD1 3.66Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.44Å; L183-L187 WeakPolarHBondContact O-CG 3.45Å; L183-L187 PolarHBondContact O-N 2.98Å |
| 184 | D | 87.5 | Confident | 81.9 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -38.6 | 174.7 | -164.5 | 33.2 | 0 | 0 | 0 | 111.1 | L80 R91 L180 K181 F188 | L80-D184 HydrophobicContact CD2-CB 3.99Å; R91-D184 IonicContact CZ-OD1 3.68Å; R91-D184 IonicContact CZ-OD2 2.67Å; R91-D184 IonicContact NE-OD1 3.62Å; R91-D184 PolarHBondContact NE-OD1 3.31Å; R91-D184 IonicContact NH2-OD1 3.97Å; R91-D184 PolarHBondContact NH2-OD1 3.23Å; R91-D184 VanDerWaalsContact NH2-OD1 3.16Å; R91-D184 IonicContact NH2-OD2 3.64Å; R91-D184 PolarHBondContact NH2-OD2 3.47Å; L180-D184 PolarHBondContact O-N 3.06Å; K181-D184 PolarHBondContact O-N 2.75Å; D184-F188 WeakPolarHBondContact O-CB 3.35Å; D184-F188 WeakPolarHBondContact O-CD2 3.43Å; D184-F188 PolarHBondContact O-N 3.2Å; D184-F188 VanDerWaalsContact O-N 3.11Å; D184-F188 WeakPolarHBondContact OD1-CD2 3.23Å |
| 185 | V | 88.5 | Confident | 80.5 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.3 | -41.6 | 179.2 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | V117 W120 W128 L152 K181 A182 L183 G189 F190 | V117-V185 HydrophobicContact CB-CG1 4.26Å; V117-V185 HydrophobicContact CG1-CG1 3.47Å; V117-V185 VanDerWaalsContact CG1-CG1 3.47Å; V117-V185 HydrophobicContact CG2-CG1 3.83Å; W120-V185 HydrophobicContact CH2-CG1 4.15Å; W128-V185 HydrophobicContact CZ2-CG2 4.21Å; L152-V185 HydrophobicContact CD1-CG1 4.42Å; K181-V185 VanDerWaalsContact O-CG2 3.32Å; K181-V185 WeakPolarHBondContact O-CG2 3.27Å; K181-V185 PolarHBondContact O-N 3.2Å; K181-V185 VanDerWaalsContact O-N 3.17Å; A182-V185 PolarHBondContact O-N 3.03Å; L183-V185 PolarHBondContact O-N 3.09Å; V185-G189 CarbonylContact O-C 3.57Å; V185-G189 WeakPolarHBondContact O-CA 3.04Å; V185-G189 PolarHBondContact O-N 3.4Å; V185-F190 HydrophobicContact CG1-CB 4.27Å; V185-F190 HydrophobicContact CG2-CD2 4.32Å |
| 186 | V | 88.4 | Confident | 79.4 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -42.1 | -179.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | W112 L152 P153 A182 L183 | W112-V186 HydrophobicContact CD2-CG1 4.46Å; W112-V186 HydrophobicContact CE3-CB 4.26Å; W112-V186 HydrophobicContact CE3-CG1 4.02Å; W112-V186 HydrophobicContact CE3-CG2 4.07Å; W112-V186 HydrophobicContact CH2-CG2 4.33Å; W112-V186 HydrophobicContact CZ3-CB 4.37Å; W112-V186 HydrophobicContact CZ3-CG2 3.79Å; L152-V186 HydrophobicContact CB-CG2 4.14Å; P153-V186 HydrophobicContact CG-CG2 4.24Å; A182-V186 VanDerWaalsContact O-CG2 3.29Å; A182-V186 WeakPolarHBondContact O-CG2 3.23Å; A182-V186 PolarHBondContact O-N 2.92Å; L183-V186 PolarHBondContact O-N 3.48Å |
| 187 | L | 85 | Confident | 78.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -80.7 | -39.2 | -175.9 | -61.6 | -179.7 | 0 | 0 | 0 | 113.5 | M59 F75 F95 L108 L183 | M59-L187 HydrophobicContact CE-CD1 4.44Å; M59-L187 HydrophobicContact SD-CD1 3.86Å; M59-L187 HydrophobicContact SD-CD2 4.05Å; F75-L187 HydrophobicContact CE1-CD1 3.96Å; F95-L187 HydrophobicContact CD2-CB 4.45Å; F95-L187 HydrophobicContact CE2-CD2 4.08Å; L108-L187 HydrophobicContact CD1-CD2 3.92Å; L108-L187 HydrophobicContact CD2-CD2 4.11Å; L183-L187 HydrophobicContact CD2-CD1 3.66Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.44Å; L183-L187 WeakPolarHBondContact O-CG 3.45Å; L183-L187 PolarHBondContact O-N 2.98Å |
| 188 | F | 82.5 | Confident | 77.9 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -112 | -5.9 | -172 | -51.4 | -67 | 0 | 0 | 0 | 114.6 | V76 L80 R91 A94 F95 D184 | V76-F188 HydrophobicContact CG2-CE1 4.33Å; V76-F188 HydrophobicContact CG2-CE2 4.35Å; V76-F188 HydrophobicContact CG2-CZ 3.52Å; L80-F188 HydrophobicContact CD1-CE2 3.67Å; L80-F188 HydrophobicContact CD1-CZ 4.22Å; R91-F188 HydrophobicContact CB-CD1 3.7Å; R91-F188 HydrophobicContact CB-CE1 3.56Å; R91-F188 HydrophobicContact CB-CE2 4.45Å; R91-F188 HydrophobicContact CB-CG 4.22Å; R91-F188 HydrophobicContact CB-CZ 3.99Å; R91-F188 HydrophobicContact CG-CD1 3.89Å; R91-F188 HydrophobicContact CG-CD2 4.06Å; R91-F188 HydrophobicContact CG-CE1 4.1Å; R91-F188 HydrophobicContact CG-CE2 4.27Å; R91-F188 HydrophobicContact CG-CG 3.88Å; R91-F188 HydrophobicContact CG-CZ 4.3Å; R91-F188 VanDerWaalsContact O-CD1 3.3Å; R91-F188 WeakPolarHBondContact O-CD1 3.47Å; R91-F188 WeakPolarHBondContact O-CE1 3.27Å; A94-F188 HydrophobicContact CB-CD1 4.31Å; F95-F188 HydrophobicContact CB-CD1 4.38Å; F95-F188 HydrophobicContact CB-CE1 3.98Å; D184-F188 WeakPolarHBondContact O-CB 3.35Å; D184-F188 WeakPolarHBondContact O-CD2 3.43Å; D184-F188 PolarHBondContact O-N 3.2Å; D184-F188 VanDerWaalsContact O-N 3.11Å; D184-F188 WeakPolarHBondContact OD1-CD2 3.23Å |
| 189 | G | 80.9 | Confident | 77.4 | Confident | 30 Ų | 30 | 56 Ų | 56 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | trans | 79 | 159 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | V185 R191 | V185-G189 CarbonylContact O-C 3.57Å; V185-G189 WeakPolarHBondContact O-CA 3.04Å; V185-G189 PolarHBondContact O-N 3.4Å; G189-R191 PolarHBondContact O-N 3.5Å | ||
| 190 | F | 75 | Confident | 77.1 | Confident | 53 Ų | 53 | 59 Ų | 59 | 23% | 0.232 | 31% | 0.313 | C | S | . | . | trans | -77.7 | 114.8 | 178.7 | -179.2 | -117.9 | 0 | 0 | 0 | 111.7 | V117 W120 W128 Y132 V185 Q192 | V117-F190 HydrophobicContact CG2-CB 3.71Å; W120-F190 HydrophobicContact CH2-CB 3.68Å; W120-F190 AromaticContact CH2-CD1 3.89Å; W120-F190 HydrophobicContact CH2-CD1 3.89Å; W120-F190 AromaticContact CH2-CD2 3.47Å; W120-F190 HydrophobicContact CH2-CD2 3.47Å; W120-F190 VanDerWaalsContact CH2-CD2 3.47Å; W120-F190 HydrophobicContact CH2-CE1 4.21Å; W120-F190 AromaticContact CH2-CE2 3.92Å; W120-F190 HydrophobicContact CH2-CE2 3.92Å; W120-F190 AromaticContact CH2-CG 3.43Å; W120-F190 HydrophobicContact CH2-CG 3.43Å; W120-F190 VanDerWaalsContact CH2-CG 3.43Å; W120-F190 HydrophobicContact CH2-CZ 4.22Å; W120-F190 HydrophobicContact CZ2-CB 3.33Å; W120-F190 AromaticContact CZ2-CD1 3.31Å; W120-F190 HydrophobicContact CZ2-CD1 3.31Å; W120-F190 AromaticContact CZ2-CD2 3.79Å; W120-F190 HydrophobicContact CZ2-CD2 3.79Å; W120-F190 AromaticContact CZ2-CE1 3.83Å; W120-F190 HydrophobicContact CZ2-CE1 3.83Å; W120-F190 HydrophobicContact CZ2-CE2 4.33Å; W120-F190 AromaticContact CZ2-CG 3.22Å; W120-F190 HydrophobicContact CZ2-CG 3.22Å; W120-F190 HydrophobicContact CZ2-CZ 4.3Å; W128-F190 AromaticContact CD1-CE2 3.57Å; Y132-F190 AromaticContact CD1-CE2 3.74Å; Y132-F190 HydrophobicContact CD1-CE2 3.74Å; Y132-F190 HydrophobicContact CD1-CZ 4.35Å; Y132-F190 AromaticContact CD2-CE2 3.86Å; Y132-F190 HydrophobicContact CD2-CE2 3.86Å; Y132-F190 AromaticContact CD2-CZ 3.93Å; Y132-F190 HydrophobicContact CD2-CZ 3.93Å; Y132-F190 AromaticContact CE1-CE2 3.59Å; Y132-F190 HydrophobicContact CE1-CE2 3.59Å; Y132-F190 AromaticContact CE1-CZ 3.85Å; Y132-F190 HydrophobicContact CE1-CZ 3.85Å; Y132-F190 AromaticContact CE2-CE2 3.74Å; Y132-F190 HydrophobicContact CE2-CE2 3.74Å; Y132-F190 AromaticContact CE2-CZ 3.4Å; Y132-F190 HydrophobicContact CE2-CZ 3.4Å; Y132-F190 AromaticContact CG-CE2 3.87Å; Y132-F190 HydrophobicContact CG-CE2 3.87Å; Y132-F190 HydrophobicContact CG-CZ 4.38Å; Y132-F190 AromaticContact CZ-CE2 3.61Å; Y132-F190 AromaticContact CZ-CZ 3.35Å; V185-F190 HydrophobicContact CG1-CB 4.27Å; V185-F190 HydrophobicContact CG2-CD2 4.32Å; F190-Q192 HydrophobicContact CD1-CG 3.84Å; F190-Q192 HydrophobicContact CE1-CB 4.43Å; F190-Q192 HydrophobicContact CE1-CG 3.32Å; F190-Q192 HydrophobicContact CZ-CG 4.07Å | ||
| 191 | R | 67.1 | Low | 76.9 | Confident | 154 Ų | 154 | 60.2 Ų | 60.2 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | trans | -99.3 | 111.4 | 168.2 | -61.9 | -167.8 | -174 | -171.6 | 3.8 | 109.1 | G189 H193 | G189-R191 PolarHBondContact O-N 3.5Å; R191-H193 PolarHBondContact O-N 3.48Å | ||
| 192 | Q | 61 | Low | 76.8 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | trans | -59 | 131.9 | 171.5 | -71.1 | 179.4 | 8.8 | 0 | 0 | 109.2 | Y132 F190 T194 | Y132-Q192 VanDerWaalsContact OH-CA 3.24Å; Y132-Q192 WeakPolarHBondContact OH-CA 3.37Å; F190-Q192 HydrophobicContact CD1-CG 3.84Å; F190-Q192 HydrophobicContact CE1-CB 4.43Å; F190-Q192 HydrophobicContact CE1-CG 3.32Å; F190-Q192 HydrophobicContact CZ-CG 4.07Å; Q192-T194 HydrophobicContact CB-CG2 4Å; Q192-T194 PolarHBondContact O-N 3.3Å | ||
| 193 | H | 55.7 | Low | 76.7 | Confident | 125 Ų | 125 | 65.9 Ų | 65.9 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | trans | -75.3 | 61 | 179.4 | -163.6 | -77.5 | 0 | 0 | 0 | 110.5 | Y132 R191 S195 | Y132-H193 HydrophobicContact CE1-CB 4.02Å; Y132-H193 PolarHBondContact OH-N 2.97Å; R191-H193 PolarHBondContact O-N 3.48Å; H193-S195 PolarHBondContact O-N 3.38Å | ||
| 194 | T | 55.1 | Low | 76.8 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 60% | 0.595 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.4 | 175.2 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | Q192 A198 | Q192-T194 HydrophobicContact CB-CG2 4Å; Q192-T194 PolarHBondContact O-N 3.3Å; T194-A198 PolarHBondContact O-N 3.08Å |
| 195 | S | 58.7 | Low | 77 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -80.2 | -19.7 | -170.9 | 93.1 | 0 | 0 | 0 | 0 | 114.8 | H193 K199 | H193-S195 PolarHBondContact O-N 3.38Å; S195-K199 WeakPolarHBondContact O-CB 3.36Å; S195-K199 WeakPolarHBondContact O-CD 3.39Å; S195-K199 WeakPolarHBondContact O-CG 3.29Å; S195-K199 PolarHBondContact O-N 3.46Å; S195-K199 PolarHBondContact OG-NZ 3.35Å |
| 196 | S | 65.7 | Low | 77.2 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 34% | 0.343 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.3 | -62.2 | 172.8 | 140.4 | 0 | 0 | 0 | 0 | 109.5 | A198 K199 D200 | S196-A198 VanDerWaalsContact C-N 3.3Å; S196-A198 PolarHBondContact O-N 3.29Å; S196-A198 VanDerWaalsContact O-N 3.16Å; S196-K199 PolarHBondContact O-N 2.84Å; S196-D200 VanDerWaalsContact C-OD2 3.24Å; S196-D200 VanDerWaalsContact O-CB 3.23Å; S196-D200 WeakPolarHBondContact O-CB 3.4Å; S196-D200 PolarHBondContact O-N 3.23Å; S196-D200 PolarHBondContact OG-OD2 3.12Å |
| 197 | V | 71.1 | Confident | 77.5 | Confident | 109 Ų | 109 | 80.4 Ų | 80.4 | 66% | 0.661 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -59.2 | -39.6 | -171.8 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | A201 | V197-A201 WeakPolarHBondContact O-CB 3.38Å; V197-A201 PolarHBondContact O-N 3.37Å |
| 198 | A | 76.5 | Confident | 78 | Confident | 60 Ų | 60 | 83.1 Ų | 83.1 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T194 S196 A201 V202 | T194-A198 PolarHBondContact O-N 3.08Å; S196-A198 VanDerWaalsContact C-N 3.3Å; S196-A198 PolarHBondContact O-N 3.29Å; S196-A198 VanDerWaalsContact O-N 3.16Å; A198-A201 PolarHBondContact O-N 3.23Å; A198-V202 VanDerWaalsContact O-CG2 3.3Å; A198-V202 WeakPolarHBondContact O-CG2 3.3Å; A198-V202 PolarHBondContact O-N 3.35Å |
| 199 | K | 78.2 | Confident | 78.6 | Confident | 131 Ų | 131 | 88.1 Ų | 88.1 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 176.4 | -70.5 | 173.9 | -169.2 | 160.3 | 0 | 110.9 | S195 S196 V202 L203 | S195-K199 WeakPolarHBondContact O-CB 3.36Å; S195-K199 WeakPolarHBondContact O-CD 3.39Å; S195-K199 WeakPolarHBondContact O-CG 3.29Å; S195-K199 PolarHBondContact O-N 3.46Å; S195-K199 PolarHBondContact OG-NZ 3.35Å; S196-K199 PolarHBondContact O-N 2.84Å; K199-V202 PolarHBondContact O-N 3.15Å; K199-L203 WeakPolarHBondContact O-CG 3.49Å; K199-L203 PolarHBondContact O-N 3.03Å |
| 200 | D | 85.4 | Confident | 79.4 | Confident | 78 Ų | 78 | 89.6 Ų | 89.6 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 178.6 | -61.4 | -26 | 0 | 0 | 0 | 110.4 | S196 V202 L203 V204 | S196-D200 VanDerWaalsContact C-OD2 3.24Å; S196-D200 VanDerWaalsContact O-CB 3.23Å; S196-D200 WeakPolarHBondContact O-CB 3.4Å; S196-D200 PolarHBondContact O-N 3.23Å; S196-D200 PolarHBondContact OG-OD2 3.12Å; D200-V202 PolarHBondContact O-N 3.3Å; D200-L203 PolarHBondContact O-N 3.41Å; D200-V204 WeakPolarHBondContact O-CB 3.35Å; D200-V204 WeakPolarHBondContact O-CG2 3.22Å; D200-V204 PolarHBondContact O-N 2.99Å |
| 201 | A | 83.6 | Confident | 80.4 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V197 A198 V204 A205 | V197-A201 WeakPolarHBondContact O-CB 3.38Å; V197-A201 PolarHBondContact O-N 3.37Å; A198-A201 PolarHBondContact O-N 3.23Å; A201-V204 PolarHBondContact O-N 3.46Å; A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 2.94Å |
| 202 | V | 86.8 | Confident | 81.8 | Confident | 88 Ų | 88 | 86.3 Ų | 86.3 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | A198 K199 D200 V204 A205 L206 | A198-V202 VanDerWaalsContact O-CG2 3.3Å; A198-V202 WeakPolarHBondContact O-CG2 3.3Å; A198-V202 PolarHBondContact O-N 3.35Å; K199-V202 PolarHBondContact O-N 3.15Å; D200-V202 PolarHBondContact O-N 3.3Å; V202-V204 PolarHBondContact O-N 3.36Å; V202-A205 PolarHBondContact O-N 2.86Å; V202-L206 HydrophobicContact CG1-CD1 4.18Å; V202-L206 WeakPolarHBondContact O-CG 3.3Å; V202-L206 PolarHBondContact O-N 3.3Å |
| 203 | L | 87.9 | Confident | 83.4 | Confident | 110 Ų | 110 | 82.2 Ų | 82.2 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 176.6 | -71.9 | 174.2 | 0 | 0 | 0 | 111.9 | K199 D200 L206 L207 | K199-L203 WeakPolarHBondContact O-CG 3.49Å; K199-L203 PolarHBondContact O-N 3.03Å; D200-L203 PolarHBondContact O-N 3.41Å; L203-L206 PolarHBondContact O-N 2.92Å; L203-L207 WeakPolarHBondContact O-CB 3.08Å; L203-L207 PolarHBondContact O-N 3.33Å |
| 204 | V | 92.3 | Very high | 85.3 | Confident | 97 Ų | 97 | 84.1 Ų | 84.1 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | D200 A201 V202 L207 A208 | D200-V204 WeakPolarHBondContact O-CB 3.35Å; D200-V204 WeakPolarHBondContact O-CG2 3.22Å; D200-V204 PolarHBondContact O-N 2.99Å; A201-V204 PolarHBondContact O-N 3.46Å; V202-V204 PolarHBondContact O-N 3.36Å; V204-L207 PolarHBondContact O-N 3.43Å; V204-A208 WeakPolarHBondContact O-CB 3.35Å; V204-A208 PolarHBondContact O-N 2.88Å |
| 205 | A | 91.6 | Very high | 87.2 | Confident | 50 Ų | 50 | 88 Ų | 88 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A201 V202 A208 I209 | A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 2.94Å; V202-A205 PolarHBondContact O-N 2.86Å; A205-A208 PolarHBondContact O-N 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 2.99Å |
| 206 | L | 92.4 | Very high | 89 | Confident | 105 Ų | 105 | 91.5 Ų | 91.5 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.3 | -71.4 | 174.5 | 0 | 0 | 0 | 112 | V202 L203 I209 A210 | V202-L206 HydrophobicContact CG1-CD1 4.18Å; V202-L206 WeakPolarHBondContact O-CG 3.3Å; V202-L206 PolarHBondContact O-N 3.3Å; L203-L206 PolarHBondContact O-N 2.92Å; L206-I209 PolarHBondContact O-N 3.45Å; L206-A210 WeakPolarHBondContact O-CB 3.34Å; L206-A210 PolarHBondContact O-N 3.39Å |
| 207 | L | 95.5 | Very high | 90.3 | Very high | 108 Ų | 108 | 91.9 Ų | 91.9 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 175.7 | -175 | 64.1 | 0 | 0 | 0 | 111.6 | L203 V204 A210 I211 | L203-L207 WeakPolarHBondContact O-CB 3.08Å; L203-L207 PolarHBondContact O-N 3.33Å; V204-L207 PolarHBondContact O-N 3.43Å; L207-A210 PolarHBondContact O-N 2.98Å; L207-I211 HydrophobicContact CD1-CD1 4.26Å; L207-I211 HydrophobicContact CG-CD1 3.94Å; L207-I211 VanDerWaalsContact O-CG1 3.29Å; L207-I211 WeakPolarHBondContact O-CG1 3.22Å; L207-I211 PolarHBondContact O-N 3.25Å |
| 208 | A | 95.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 89.6 Ų | 89.6 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V204 A205 I211 G212 | V204-A208 WeakPolarHBondContact O-CB 3.35Å; V204-A208 PolarHBondContact O-N 2.88Å; A205-A208 PolarHBondContact O-N 3.27Å; A208-I211 PolarHBondContact O-N 3.21Å; A208-G212 PolarHBondContact O-N 3.17Å |
| 209 | I | 95.7 | Very high | 92.1 | Very high | 122 Ų | 122 | 93.1 Ų | 93.1 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 175.1 | -66.6 | 165.7 | 0 | 0 | 0 | 110.7 | A205 L206 G212 G213 | A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 2.99Å; L206-I209 PolarHBondContact O-N 3.45Å; I209-G212 PolarHBondContact O-N 3.29Å; I209-G213 PolarHBondContact O-N 3.19Å |
| 210 | A | 96 | Very high | 92.5 | Very high | 61 Ų | 61 | 92.1 Ų | 92.1 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L206 L207 G213 Y214 | L206-A210 WeakPolarHBondContact O-CB 3.34Å; L206-A210 PolarHBondContact O-N 3.39Å; L207-A210 PolarHBondContact O-N 2.98Å; A210-G213 PolarHBondContact O-N 3.35Å; A210-Y214 VanDerWaalsContact O-CB 3.3Å; A210-Y214 WeakPolarHBondContact O-CB 3.31Å; A210-Y214 PolarHBondContact O-N 3.37Å |
| 211 | I | 96.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 97 Ų | 97 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.5 | -66 | 165.5 | 0 | 0 | 0 | 110.7 | L207 A208 Y214 W215 | L207-I211 HydrophobicContact CD1-CD1 4.26Å; L207-I211 HydrophobicContact CG-CD1 3.94Å; L207-I211 VanDerWaalsContact O-CG1 3.29Å; L207-I211 WeakPolarHBondContact O-CG1 3.22Å; L207-I211 PolarHBondContact O-N 3.25Å; A208-I211 PolarHBondContact O-N 3.21Å; I211-Y214 PolarHBondContact O-N 3.12Å; I211-W215 WeakPolarHBondContact O-CB 3.48Å; I211-W215 PolarHBondContact O-N 3.22Å |
| 212 | G | 95.7 | Very high | 93 | Very high | 38 Ų | 38 | 101 Ų | 101 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A208 I209 W215 F216 | A208-G212 PolarHBondContact O-N 3.17Å; I209-G212 PolarHBondContact O-N 3.29Å; G212-W215 PolarHBondContact O-N 3.1Å; G212-F216 VanDerWaalsContact O-CB 3.32Å; G212-F216 WeakPolarHBondContact O-CB 3.12Å; G212-F216 PolarHBondContact O-N 3.01Å |
| 213 | G | 95.4 | Very high | 92.8 | Very high | 41 Ų | 41 | 99.9 Ų | 99.9 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I209 A210 F216 A217 | I209-G213 PolarHBondContact O-N 3.19Å; A210-G213 PolarHBondContact O-N 3.35Å; G213-F216 PolarHBondContact O-N 2.9Å; G213-A217 WeakPolarHBondContact O-CB 3.29Å; G213-A217 PolarHBondContact O-N 3.37Å |
| 214 | Y | 95.9 | Very high | 92.5 | Very high | 165 Ų | 165 | 96.8 Ų | 96.8 | 65% | 0.647 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 175.9 | -178.7 | -107.6 | 0 | 0 | 0 | 111.9 | A210 I211 A217 I218 | A210-Y214 VanDerWaalsContact O-CB 3.3Å; A210-Y214 WeakPolarHBondContact O-CB 3.31Å; A210-Y214 PolarHBondContact O-N 3.37Å; I211-Y214 PolarHBondContact O-N 3.12Å; Y214-A217 PolarHBondContact O-N 3.4Å; Y214-I218 HydrophobicContact CD1-CD1 3.9Å; Y214-I218 HydrophobicContact CE1-CD1 3.38Å; Y214-I218 HydrophobicContact CE1-CG1 4.46Å; Y214-I218 HydrophobicContact CE2-CD1 4.33Å; Y214-I218 WeakPolarHBondContact O-CG1 3.22Å; Y214-I218 PolarHBondContact O-N 3.44Å |
| 215 | W | 95.9 | Very high | 92.1 | Very high | 178 Ų | 178 | 95.9 Ų | 95.9 | 67% | 0.674 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 176.7 | -170.4 | 80.9 | 0 | 0 | 0 | 111.8 | I211 G212 A217 I218 Y219 | I211-W215 WeakPolarHBondContact O-CB 3.48Å; I211-W215 PolarHBondContact O-N 3.22Å; G212-W215 PolarHBondContact O-N 3.1Å; W215-A217 PolarHBondContact O-N 2.91Å; W215-I218 PolarHBondContact O-N 3.03Å; W215-Y219 WeakPolarHBondContact O-CB 3.23Å; W215-Y219 PolarHBondContact O-N 3.45Å |
| 216 | F | 94.9 | Very high | 91.7 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.5 | -174.2 | -108.9 | 0 | 0 | 0 | 112.3 | G212 G213 Y219 Q220 | G212-F216 VanDerWaalsContact O-CB 3.32Å; G212-F216 WeakPolarHBondContact O-CB 3.12Å; G212-F216 PolarHBondContact O-N 3.01Å; G213-F216 PolarHBondContact O-N 2.9Å; F216-Y219 PolarHBondContact O-N 3.48Å; F216-Q220 HydrophobicContact CD1-CG 4.43Å; F216-Q220 HydrophobicContact CE1-CG 4.14Å; F216-Q220 HydrophobicContact CZ-CG 4.22Å; F216-Q220 PolarHBondContact O-N 2.9Å |
| 217 | A | 94.6 | Very high | 91 | Very high | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G213 Y214 W215 R221 | G213-A217 WeakPolarHBondContact O-CB 3.29Å; G213-A217 PolarHBondContact O-N 3.37Å; Y214-A217 PolarHBondContact O-N 3.4Å; W215-A217 PolarHBondContact O-N 2.91Å; A217-R221 VanDerWaalsContact O-CB 3.29Å; A217-R221 WeakPolarHBondContact O-CB 3.01Å; A217-R221 PolarHBondContact O-N 3.49Å |
| 218 | I | 93.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 100.5 Ų | 100.5 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 173.2 | -69.7 | 171.5 | 0 | 0 | 0 | 110.8 | Y214 W215 R221 K222 | Y214-I218 HydrophobicContact CD1-CD1 3.9Å; Y214-I218 HydrophobicContact CE1-CD1 3.38Å; Y214-I218 HydrophobicContact CE1-CG1 4.46Å; Y214-I218 HydrophobicContact CE2-CD1 4.33Å; Y214-I218 WeakPolarHBondContact O-CG1 3.22Å; Y214-I218 PolarHBondContact O-N 3.44Å; W215-I218 PolarHBondContact O-N 3.03Å; I218-R221 PolarHBondContact O-N 3.42Å; I218-K222 HydrophobicContact CG2-CD 4.47Å; I218-K222 WeakPolarHBondContact O-CG 3.33Å; I218-K222 PolarHBondContact O-N 2.98Å |
| 219 | Y | 91.1 | Very high | 89.8 | Confident | 135 Ų | 135 | 104.4 Ų | 104.4 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 178.3 | -177.7 | -96.2 | 0 | 0 | 0 | 111.5 | W215 F216 R221 K222 T223 | W215-Y219 WeakPolarHBondContact O-CB 3.23Å; W215-Y219 PolarHBondContact O-N 3.45Å; F216-Y219 PolarHBondContact O-N 3.48Å; Y219-R221 VanDerWaalsContact C-N 3.34Å; Y219-R221 PolarHBondContact O-N 3.38Å; Y219-K222 PolarHBondContact O-N 3.09Å; Y219-T223 PolarHBondContact O-N 3.27Å; Y219-T223 PolarHBondContact O-OG1 2.75Å |
| 220 | Q | 87.5 | Confident | 89.2 | Confident | 109 Ų | 109 | 101.5 Ų | 101.5 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 174.8 | -74.6 | -153.5 | 14.6 | 0 | 0 | 112.4 | F216 K222 T223 A224 | F216-Q220 HydrophobicContact CD1-CG 4.43Å; F216-Q220 HydrophobicContact CE1-CG 4.14Å; F216-Q220 HydrophobicContact CZ-CG 4.22Å; F216-Q220 PolarHBondContact O-N 2.9Å; Q220-K222 VanDerWaalsContact C-N 3.31Å; Q220-K222 PolarHBondContact O-N 3.35Å; Q220-T223 PolarHBondContact O-N 2.94Å; Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.02Å |
| 221 | R | 90.9 | Very high | 88.6 | Confident | 180 Ų | 180 | 103.2 Ų | 103.2 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -39 | 177.6 | -170.3 | 174.9 | -176.5 | -174.9 | 0.8 | 111.9 | A217 I218 Y219 A224 Q225 | A217-R221 VanDerWaalsContact O-CB 3.29Å; A217-R221 WeakPolarHBondContact O-CB 3.01Å; A217-R221 PolarHBondContact O-N 3.49Å; I218-R221 PolarHBondContact O-N 3.42Å; Y219-R221 VanDerWaalsContact C-N 3.34Å; Y219-R221 PolarHBondContact O-N 3.38Å; R221-A224 PolarHBondContact O-N 3.2Å; R221-Q225 WeakPolarHBondContact O-CG 3.17Å; R221-Q225 PolarHBondContact O-N 3.11Å |
| 222 | K | 87.3 | Confident | 88.1 | Confident | 141 Ų | 141 | 101 Ų | 101 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 175.2 | -75.1 | -178.7 | 178.1 | -177.9 | 0 | 111.9 | I218 Y219 Q220 Q225 H226 | I218-K222 HydrophobicContact CG2-CD 4.47Å; I218-K222 WeakPolarHBondContact O-CG 3.33Å; I218-K222 PolarHBondContact O-N 2.98Å; Y219-K222 PolarHBondContact O-N 3.09Å; Q220-K222 VanDerWaalsContact C-N 3.31Å; Q220-K222 PolarHBondContact O-N 3.35Å; K222-Q225 PolarHBondContact O-N 3.05Å; K222-H226 PolarHBondContact O-N 3.39Å |
| 223 | T | 81.9 | Confident | 87.8 | Confident | 65 Ų | 65 | 101.2 Ų | 101.2 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 177.4 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | Y219 Q220 H226 K227 | Y219-T223 PolarHBondContact O-N 3.27Å; Y219-T223 PolarHBondContact O-OG1 2.75Å; Q220-T223 PolarHBondContact O-N 2.94Å; T223-H226 PolarHBondContact O-N 3.33Å; T223-K227 PolarHBondContact O-N 3.29Å |
| 224 | A | 82.4 | Confident | 87.5 | Confident | 45 Ų | 45 | 104.1 Ų | 104.1 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q220 R221 H226 K227 L228 | Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.02Å; R221-A224 PolarHBondContact O-N 3.2Å; A224-H226 PolarHBondContact O-N 2.84Å; A224-K227 PolarHBondContact O-N 3.46Å; A224-K227 VanDerWaalsContact O-N 3.15Å; A224-L228 WeakPolarHBondContact O-CG 3.39Å; A224-L228 PolarHBondContact O-N 2.95Å |
| 225 | Q | 84.4 | Confident | 87.2 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -33.6 | 175.2 | -76.9 | -176.4 | -8.6 | 0 | 0 | 112.7 | R221 K222 L228 R229 | R221-Q225 WeakPolarHBondContact O-CG 3.17Å; R221-Q225 PolarHBondContact O-N 3.11Å; K222-Q225 PolarHBondContact O-N 3.05Å; Q225-L228 PolarHBondContact O-N 3.31Å; Q225-R229 WeakPolarHBondContact O-CG 3.24Å; Q225-R229 PolarHBondContact O-N 2.99Å |
| 226 | H | 82.2 | Confident | 86.9 | Confident | 121 Ų | 121 | 98.5 Ų | 98.5 | 56% | 0.56 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.9 | -39 | 177 | -151.6 | -42.4 | 0 | 0 | 0 | 111.9 | K222 T223 A224 V230 | K222-H226 PolarHBondContact O-N 3.39Å; T223-H226 PolarHBondContact O-N 3.33Å; A224-H226 PolarHBondContact O-N 2.84Å; H226-V230 VanDerWaalsContact O-CG2 3.31Å; H226-V230 WeakPolarHBondContact O-CG2 3.32Å; H226-V230 PolarHBondContact O-N 2.85Å |
| 227 | K | 78.7 | Confident | 86.4 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 54% | 0.543 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 174 | -65.8 | -177.5 | -178.7 | 179 | 0 | 111.5 | T223 A224 R229 V230 L231 | T223-K227 PolarHBondContact O-N 3.29Å; A224-K227 PolarHBondContact O-N 3.46Å; A224-K227 VanDerWaalsContact O-N 3.15Å; K227-R229 PolarHBondContact O-N 3.37Å; K227-V230 PolarHBondContact O-N 2.88Å; K227-L231 WeakPolarHBondContact O-CG 3.24Å; K227-L231 PolarHBondContact O-N 3.45Å |
| 228 | L | 80.4 | Confident | 86 | Confident | 114 Ų | 114 | 104.6 Ų | 104.6 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | 178.7 | -71.2 | 173.3 | 0 | 0 | 0 | 113 | A224 Q225 L231 S232 | A224-L228 WeakPolarHBondContact O-CG 3.39Å; A224-L228 PolarHBondContact O-N 2.95Å; Q225-L228 PolarHBondContact O-N 3.31Å; L228-L231 PolarHBondContact O-N 3.34Å; L228-S232 PolarHBondContact O-N 3.4Å; L228-S232 PolarHBondContact O-OG 2.9Å |
| 229 | R | 83.9 | Confident | 85.7 | Confident | 140 Ų | 140 | 107.5 Ų | 107.5 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 176.5 | -72.3 | -174.9 | -139.5 | 116.7 | 1.6 | 112.9 | Q225 K227 S232 A233 | Q225-R229 WeakPolarHBondContact O-CG 3.24Å; Q225-R229 PolarHBondContact O-N 2.99Å; K227-R229 PolarHBondContact O-N 3.37Å; R229-S232 PolarHBondContact O-OG 3.29Å; R229-A233 WeakPolarHBondContact O-CB 3.41Å; R229-A233 PolarHBondContact O-N 2.96Å; R229-A233 VanDerWaalsContact O-N 3.12Å |
| 230 | V | 84.1 | Confident | 85.7 | Confident | 62 Ų | 62 | 105.8 Ų | 105.8 | 38% | 0.376 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | H226 K227 A233 H234 | H226-V230 VanDerWaalsContact O-CG2 3.31Å; H226-V230 WeakPolarHBondContact O-CG2 3.32Å; H226-V230 PolarHBondContact O-N 2.85Å; K227-V230 PolarHBondContact O-N 2.88Å; V230-A233 PolarHBondContact O-N 3.47Å; V230-H234 PolarHBondContact O-CD2 3.29Å; V230-H234 PolarHBondContact O-N 2.88Å; V230-H234 VanDerWaalsContact O-N 3.08Å |
| 231 | L | 82.9 | Confident | 85.7 | Confident | 97 Ų | 97 | 106.1 Ų | 106.1 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.3 | -71.1 | 168.6 | 0 | 0 | 0 | 112.4 | K227 L228 A233 H234 L235 | K227-L231 WeakPolarHBondContact O-CG 3.24Å; K227-L231 PolarHBondContact O-N 3.45Å; L228-L231 PolarHBondContact O-N 3.34Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 2.92Å; L231-H234 PolarHBondContact O-N 3.4Å; L231-L235 WeakPolarHBondContact O-CG 3.43Å; L231-L235 PolarHBondContact O-N 2.94Å |
| 232 | S | 87 | Confident | 85.5 | Confident | 55 Ų | 55 | 103.8 Ų | 103.8 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 177 | 68 | 0 | 0 | 0 | 0 | 111.8 | L228 R229 H234 L235 D236 | L228-S232 PolarHBondContact O-N 3.4Å; L228-S232 PolarHBondContact O-OG 2.9Å; R229-S232 PolarHBondContact O-OG 3.29Å; S232-H234 VanDerWaalsContact C-N 3.26Å; S232-H234 PolarHBondContact O-N 3.35Å; S232-L235 PolarHBondContact O-N 3.45Å; S232-D236 PolarHBondContact O-N 2.91Å |
| 233 | A | 89.5 | Confident | 85.5 | Confident | 42 Ų | 42 | 102.5 Ų | 102.5 | 35% | 0.347 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -31.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R229 V230 L231 R237 | R229-A233 WeakPolarHBondContact O-CB 3.41Å; R229-A233 PolarHBondContact O-N 2.96Å; R229-A233 VanDerWaalsContact O-N 3.12Å; V230-A233 PolarHBondContact O-N 3.47Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 2.92Å; A233-R237 WeakPolarHBondContact O-CG 3.44Å; A233-R237 PolarHBondContact O-N 3.37Å |
| 234 | H | 89.4 | Confident | 85.8 | Confident | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.2 | -39.8 | 174.7 | -70.8 | -161.3 | 0 | 0 | 0 | 111.4 | V230 L231 S232 R237 L238 | V230-H234 PolarHBondContact O-CD2 3.29Å; V230-H234 PolarHBondContact O-N 2.88Å; V230-H234 VanDerWaalsContact O-N 3.08Å; L231-H234 PolarHBondContact O-N 3.4Å; S232-H234 VanDerWaalsContact C-N 3.26Å; S232-H234 PolarHBondContact O-N 3.35Å; H234-R237 PolarHBondContact O-N 2.83Å; H234-L238 WeakPolarHBondContact O-CD1 3.33Å; H234-L238 WeakPolarHBondContact O-CG 3.33Å; H234-L238 PolarHBondContact O-N 2.93Å |
| 235 | L | 88.3 | Confident | 85.9 | Confident | 116 Ų | 116 | 108.8 Ų | 108.8 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.6 | -40.8 | 175.2 | -68.8 | 176 | 0 | 0 | 0 | 112.3 | L231 S232 R237 L238 K239 | L231-L235 WeakPolarHBondContact O-CG 3.43Å; L231-L235 PolarHBondContact O-N 2.94Å; S232-L235 PolarHBondContact O-N 3.45Å; L235-R237 VanDerWaalsContact C-N 3.35Å; L235-R237 PolarHBondContact O-N 2.9Å; L235-L238 PolarHBondContact O-N 2.92Å; L235-K239 WeakPolarHBondContact O-CB 3.33Å; L235-K239 PolarHBondContact O-N 3.34Å |
| 236 | D | 91 | Very high | 85.9 | Confident | 110 Ų | 110 | 108.7 Ų | 108.7 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 177 | -69.9 | -28.6 | 0 | 0 | 0 | 111.5 | S232 K239 D240 | S232-D236 PolarHBondContact O-N 2.91Å; D236-K239 PolarHBondContact O-N 3.36Å; D236-D240 PolarHBondContact O-N 3.49Å |
| 237 | R | 83.3 | Confident | 86.2 | Confident | 184 Ų | 184 | 106.3 Ų | 106.3 | 69% | 0.694 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -40.7 | 175.1 | -76.6 | -178.5 | 179.1 | -173.9 | -0.7 | 113 | A233 H234 L235 K239 D240 M241 | A233-R237 WeakPolarHBondContact O-CG 3.44Å; A233-R237 PolarHBondContact O-N 3.37Å; H234-R237 PolarHBondContact O-N 2.83Å; L235-R237 VanDerWaalsContact C-N 3.35Å; L235-R237 PolarHBondContact O-N 2.9Å; R237-K239 VanDerWaalsContact C-N 3.3Å; R237-K239 PolarHBondContact O-N 3.3Å; R237-D240 PolarHBondContact O-N 3.45Å; R237-M241 WeakPolarHBondContact O-CG 3.27Å; R237-M241 PolarHBondContact O-N 2.88Å; R237-M241 VanDerWaalsContact O-N 3.09Å |
| 238 | L | 86 | Confident | 86.4 | Confident | 114 Ų | 114 | 105 Ų | 105 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -38.9 | 176.5 | -77.1 | 162.3 | 0 | 0 | 0 | 111.2 | H234 L235 M241 E242 | H234-L238 WeakPolarHBondContact O-CD1 3.33Å; H234-L238 WeakPolarHBondContact O-CG 3.33Å; H234-L238 PolarHBondContact O-N 2.93Å; L235-L238 PolarHBondContact O-N 2.92Å; L238-M241 PolarHBondContact O-N 3.19Å; L238-E242 WeakPolarHBondContact O-CB 3.49Å; L238-E242 PolarHBondContact O-N 2.95Å |
| 239 | K | 88.5 | Confident | 86.4 | Confident | 123 Ų | 123 | 106.5 Ų | 106.5 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 176.6 | -176.5 | 173.7 | -179.7 | 167.3 | 0 | 113.2 | L235 D236 R237 E242 Q243 | L235-K239 WeakPolarHBondContact O-CB 3.33Å; L235-K239 PolarHBondContact O-N 3.34Å; D236-K239 PolarHBondContact O-N 3.36Å; R237-K239 VanDerWaalsContact C-N 3.3Å; R237-K239 PolarHBondContact O-N 3.3Å; K239-E242 PolarHBondContact O-N 3.46Å; K239-Q243 PolarHBondContact O-N 2.85Å |
| 240 | D | 90.7 | Very high | 86.4 | Confident | 99 Ų | 99 | 105.4 Ų | 105.4 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.3 | -153.5 | 36.6 | 0 | 0 | 0 | 110.5 | D236 R237 E242 Q243 D244 | D236-D240 PolarHBondContact O-N 3.49Å; R237-D240 PolarHBondContact O-N 3.45Å; D240-E242 PolarHBondContact O-N 3.36Å; D240-Q243 PolarHBondContact O-N 3.42Å; D240-D244 PolarHBondContact O-N 2.89Å |
| 241 | M | 86.6 | Confident | 86.2 | Confident | 116 Ų | 116 | 108 Ų | 108 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 174.5 | -71.6 | -178.8 | 162.6 | 0 | 0 | 112.6 | R237 L238 Q243 D244 F245 | R237-M241 WeakPolarHBondContact O-CG 3.27Å; R237-M241 PolarHBondContact O-N 2.88Å; R237-M241 VanDerWaalsContact O-N 3.09Å; L238-M241 PolarHBondContact O-N 3.19Å; M241-Q243 VanDerWaalsContact C-N 3.34Å; M241-Q243 PolarHBondContact O-N 2.85Å; M241-D244 PolarHBondContact O-N 3.42Å; M241-F245 WeakPolarHBondContact O-CD2 3.26Å; M241-F245 PolarHBondContact O-N 3.05Å |
| 242 | E | 87.6 | Confident | 85.4 | Confident | 130 Ų | 130 | 109.9 Ų | 109.9 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.9 | -44.7 | 173.7 | -173.7 | -172.9 | -179.5 | 0 | 0 | 111.2 | L238 K239 D240 D244 F245 T246 | L238-E242 WeakPolarHBondContact O-CB 3.49Å; L238-E242 PolarHBondContact O-N 2.95Å; K239-E242 PolarHBondContact O-N 3.46Å; D240-E242 PolarHBondContact O-N 3.36Å; E242-D244 PolarHBondContact O-N 3.06Å; E242-F245 PolarHBondContact O-N 3.49Å; E242-T246 WeakPolarHBondContact O-CG2 3.43Å; E242-T246 PolarHBondContact O-N 2.82Å; E242-T246 VanDerWaalsContact O-N 3.1Å |
| 243 | Q | 87.4 | Confident | 84.7 | Confident | 115 Ų | 115 | 113.5 Ų | 113.5 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -42.1 | 176.6 | -75.5 | -173.7 | -65.1 | 0 | 0 | 112.2 | K239 D240 M241 F245 T246 D247 | K239-Q243 PolarHBondContact O-N 2.85Å; D240-Q243 PolarHBondContact O-N 3.42Å; M241-Q243 VanDerWaalsContact C-N 3.34Å; M241-Q243 PolarHBondContact O-N 2.85Å; Q243-F245 PolarHBondContact O-N 3.16Å; Q243-T246 PolarHBondContact O-N 3.28Å; Q243-T246 PolarHBondContact O-OG1 3.48Å; Q243-D247 PolarHBondContact O-N 3.27Å |
| 244 | D | 88 | Confident | 83.9 | Confident | 97 Ų | 97 | 117.5 Ų | 117.5 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -41.8 | 177 | -79.1 | -11 | 0 | 0 | 0 | 112.3 | D240 M241 E242 T246 D247 L248 | D240-D244 PolarHBondContact O-N 2.89Å; M241-D244 PolarHBondContact O-N 3.42Å; E242-D244 PolarHBondContact O-N 3.06Å; D244-T246 PolarHBondContact O-N 2.89Å; D244-D247 PolarHBondContact O-N 3.36Å; D244-L248 WeakPolarHBondContact O-CB 3.34Å; D244-L248 WeakPolarHBondContact O-CG 3.3Å; D244-L248 PolarHBondContact O-N 2.83Å |
| 245 | F | 84.4 | Confident | 82.6 | Confident | 145 Ų | 145 | 115 Ų | 115 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -40.9 | 175.1 | -78.2 | -63.9 | 0 | 0 | 0 | 112.2 | M241 E242 Q243 L248 Q249 | M241-F245 WeakPolarHBondContact O-CD2 3.26Å; M241-F245 PolarHBondContact O-N 3.05Å; E242-F245 PolarHBondContact O-N 3.49Å; Q243-F245 PolarHBondContact O-N 3.16Å; F245-L248 PolarHBondContact O-N 3.45Å; F245-Q249 PolarHBondContact O-N 2.74Å |
| 246 | T | 83.5 | Confident | 81.2 | Confident | 77 Ų | 77 | 115.2 Ų | 115.2 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.5 | -36.5 | 177.1 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | E242 Q243 D244 K250 | E242-T246 WeakPolarHBondContact O-CG2 3.43Å; E242-T246 PolarHBondContact O-N 2.82Å; E242-T246 VanDerWaalsContact O-N 3.1Å; Q243-T246 PolarHBondContact O-N 3.28Å; Q243-T246 PolarHBondContact O-OG1 3.48Å; D244-T246 PolarHBondContact O-N 2.89Å; T246-K250 WeakPolarHBondContact O-CB 3.17Å; T246-K250 PolarHBondContact O-N 2.85Å; T246-K250 VanDerWaalsContact O-N 3.09Å |
| 247 | D | 88.1 | Confident | 79.8 | Confident | 71 Ų | 71 | 114.2 Ų | 114.2 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.1 | -37.2 | 177.4 | -166.3 | 51.7 | 0 | 0 | 0 | 111.7 | Q243 D244 K250 K251 | Q243-D247 PolarHBondContact O-N 3.27Å; D244-D247 PolarHBondContact O-N 3.36Å; D247-K250 PolarHBondContact O-N 3.33Å; D247-K251 WeakPolarHBondContact O-CB 3.43Å; D247-K251 WeakPolarHBondContact O-CG 3.33Å; D247-K251 PolarHBondContact O-N 3.33Å; D247-K251 VanDerWaalsContact OD2-CE 3.26Å; D247-K251 WeakPolarHBondContact OD2-CE 3.28Å; D247-K251 IonicContact OD2-NZ 3.45Å; D247-K251 PolarHBondContact OD2-NZ 3.45Å |
| 248 | L | 83.1 | Confident | 78.5 | Confident | 97 Ų | 97 | 111.9 Ų | 111.9 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 172.4 | -77.8 | 173.1 | 0 | 0 | 0 | 112.1 | D244 F245 K250 K251 M252 | D244-L248 WeakPolarHBondContact O-CB 3.34Å; D244-L248 WeakPolarHBondContact O-CG 3.3Å; D244-L248 PolarHBondContact O-N 2.83Å; F245-L248 PolarHBondContact O-N 3.45Å; L248-K250 VanDerWaalsContact C-N 3.26Å; L248-K250 PolarHBondContact O-N 2.8Å; L248-K251 PolarHBondContact O-N 2.92Å; L248-K251 VanDerWaalsContact O-N 3.16Å; L248-M252 WeakPolarHBondContact O-CB 3.32Å; L248-M252 VanDerWaalsContact O-CG 3.3Å; L248-M252 WeakPolarHBondContact O-CG 3.24Å; L248-M252 PolarHBondContact O-N 2.92Å |
| 249 | Q | 81.8 | Confident | 77 | Confident | 146 Ų | 146 | 113 Ų | 113 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.1 | -42.2 | 174.6 | -83.4 | -172.2 | -36.1 | 0 | 0 | 111.5 | F245 K251 M252 E253 | F245-Q249 PolarHBondContact O-N 2.74Å; Q249-K251 PolarHBondContact O-N 2.83Å; Q249-M252 PolarHBondContact O-N 3.36Å; Q249-E253 WeakPolarHBondContact O-CB 3.47Å; Q249-E253 PolarHBondContact O-N 3.25Å |
| 250 | K | 83.1 | Confident | 75.1 | Confident | 116 Ų | 116 | 114 Ų | 114 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.2 | -34.2 | 178.2 | -163.6 | 173.9 | -170.2 | 172.4 | 0 | 113.2 | T246 D247 L248 K254 | T246-K250 WeakPolarHBondContact O-CB 3.17Å; T246-K250 PolarHBondContact O-N 2.85Å; T246-K250 VanDerWaalsContact O-N 3.09Å; D247-K250 PolarHBondContact O-N 3.33Å; L248-K250 VanDerWaalsContact C-N 3.26Å; L248-K250 PolarHBondContact O-N 2.8Å; K250-K254 WeakPolarHBondContact O-CB 3.46Å; K250-K254 WeakPolarHBondContact O-CD 3.35Å; K250-K254 WeakPolarHBondContact O-CG 3.33Å; K250-K254 PolarHBondContact O-N 3.21Å; K250-K254 VanDerWaalsContact O-N 3.12Å |
| 251 | K | 80.6 | Confident | 73.1 | Confident | 116 Ų | 116 | 113.8 Ų | 113.8 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.4 | -41.1 | 173.2 | -79.4 | 167.8 | 174.3 | 154 | 0 | 111.5 | D247 L248 Q249 K254 A255 | D247-K251 WeakPolarHBondContact O-CB 3.43Å; D247-K251 WeakPolarHBondContact O-CG 3.33Å; D247-K251 PolarHBondContact O-N 3.33Å; D247-K251 VanDerWaalsContact OD2-CE 3.26Å; D247-K251 WeakPolarHBondContact OD2-CE 3.28Å; D247-K251 IonicContact OD2-NZ 3.45Å; D247-K251 PolarHBondContact OD2-NZ 3.45Å; L248-K251 PolarHBondContact O-N 2.92Å; L248-K251 VanDerWaalsContact O-N 3.16Å; Q249-K251 PolarHBondContact O-N 2.83Å; K251-K254 PolarHBondContact O-N 2.76Å; K251-A255 WeakPolarHBondContact O-CB 2.89Å; K251-A255 PolarHBondContact O-N 2.74Å |
| 252 | M | 66.1 | Low | 71.2 | Confident | 137 Ų | 137 | 116.5 Ų | 116.5 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -44.1 | 176.2 | -70.6 | -70.1 | -73.7 | 0 | 0 | 111.3 | L248 Q249 K254 A255 H256 | L248-M252 WeakPolarHBondContact O-CB 3.32Å; L248-M252 VanDerWaalsContact O-CG 3.3Å; L248-M252 WeakPolarHBondContact O-CG 3.24Å; L248-M252 PolarHBondContact O-N 2.92Å; Q249-M252 PolarHBondContact O-N 3.36Å; M252-K254 VanDerWaalsContact C-N 3.34Å; M252-K254 PolarHBondContact O-N 3.01Å; M252-A255 PolarHBondContact O-N 2.92Å; M252-H256 WeakPolarHBondContact O-CB 3.49Å; M252-H256 PolarHBondContact O-N 3.13Å |
| 253 | E | 72.4 | Confident | 69.1 | Low | 131 Ų | 131 | 114.9 Ų | 114.9 | 61% | 0.612 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.2 | -42 | 175.9 | -170.5 | -179.4 | -168.1 | 0 | 0 | 111.5 | Q249 H256 V257 | Q249-E253 WeakPolarHBondContact O-CB 3.47Å; Q249-E253 PolarHBondContact O-N 3.25Å; E253-H256 PolarHBondContact O-N 3.1Å; E253-V257 WeakPolarHBondContact O-CB 3.45Å; E253-V257 WeakPolarHBondContact O-CG2 3.23Å; E253-V257 PolarHBondContact O-N 3.15Å |
| 254 | K | 71.3 | Confident | 67 | Low | 126 Ų | 126 | 114.3 Ų | 114.3 | 55% | 0.548 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.2 | -41.3 | 174.7 | -73.9 | 170.4 | -178.2 | 177.8 | 0 | 112.8 | K250 K251 M252 H256 Q258 | K250-K254 WeakPolarHBondContact O-CB 3.46Å; K250-K254 WeakPolarHBondContact O-CD 3.35Å; K250-K254 WeakPolarHBondContact O-CG 3.33Å; K250-K254 PolarHBondContact O-N 3.21Å; K250-K254 VanDerWaalsContact O-N 3.12Å; K251-K254 PolarHBondContact O-N 2.76Å; M252-K254 VanDerWaalsContact C-N 3.34Å; M252-K254 PolarHBondContact O-N 3.01Å; K254-H256 VanDerWaalsContact C-N 3.35Å; K254-Q258 WeakPolarHBondContact O-CB 3.49Å; K254-Q258 PolarHBondContact O-N 3Å |
| 255 | A | 63.6 | Low | 64.9 | Low | 48 Ų | 48 | 117 Ų | 117 | 40% | 0.397 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.4 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K251 M252 Q258 E259 | K251-A255 WeakPolarHBondContact O-CB 2.89Å; K251-A255 PolarHBondContact O-N 2.74Å; M252-A255 PolarHBondContact O-N 2.92Å; A255-Q258 PolarHBondContact O-N 3.36Å; A255-E259 VanDerWaalsContact O-CB 3.26Å; A255-E259 WeakPolarHBondContact O-CB 3.16Å; A255-E259 PolarHBondContact O-N 3.25Å |
| 256 | H | 58.8 | Low | 62.9 | Low | 121 Ų | 121 | 117.5 Ų | 117.5 | 56% | 0.56 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67 | -41 | 179 | -144 | 43.2 | 0 | 0 | 0 | 112.1 | M252 E253 K254 Q258 H260 | M252-H256 WeakPolarHBondContact O-CB 3.49Å; M252-H256 PolarHBondContact O-N 3.13Å; E253-H256 PolarHBondContact O-N 3.1Å; K254-H256 VanDerWaalsContact C-N 3.35Å; H256-Q258 VanDerWaalsContact C-N 3.33Å; H256-Q258 PolarHBondContact O-N 2.84Å; H256-H260 WeakPolarHBondContact O-CB 3.21Å; H256-H260 PolarHBondContact O-N 3.22Å |
| 257 | V | 60.9 | Low | 61.2 | Low | 90 Ų | 90 | 120.1 Ų | 120.1 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.2 | -34.5 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | E253 S261 | E253-V257 WeakPolarHBondContact O-CB 3.45Å; E253-V257 WeakPolarHBondContact O-CG2 3.23Å; E253-V257 PolarHBondContact O-N 3.15Å; V257-S261 WeakPolarHBondContact O-CB 3.19Å; V257-S261 PolarHBondContact O-N 3.3Å; V257-S261 PolarHBondContact O-OG 3.28Å |
| 258 | Q | 57.1 | Low | 59.3 | Low | 134 Ų | 134 | 124.2 Ų | 124.2 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.5 | -28.4 | -178.5 | -160.9 | 164.5 | 56.4 | 0 | 0 | 112.9 | K254 A255 H256 | K254-Q258 WeakPolarHBondContact O-CB 3.49Å; K254-Q258 PolarHBondContact O-N 3Å; A255-Q258 PolarHBondContact O-N 3.36Å; H256-Q258 VanDerWaalsContact C-N 3.33Å; H256-Q258 PolarHBondContact O-N 2.84Å |
| 259 | E | 52.5 | Low | 57.8 | Low | 137 Ų | 137 | 124.6 Ų | 124.6 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.5 | -38.2 | 175.3 | -160.2 | 167.2 | -151.9 | 0 | 0 | 111.5 | A255 S261 K262 S263 | A255-E259 VanDerWaalsContact O-CB 3.26Å; A255-E259 WeakPolarHBondContact O-CB 3.16Å; A255-E259 PolarHBondContact O-N 3.25Å; E259-S261 PolarHBondContact O-N 2.67Å; E259-K262 PolarHBondContact O-N 2.9Å; E259-S263 PolarHBondContact O-N 3.37Å |
| 260 | H | 49.8 | Very low | 56.5 | Low | 146 Ų | 146 | 125.3 Ų | 125.3 | 68% | 0.676 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -20.3 | 172 | -109.9 | -80.9 | 0 | 0 | 0 | 114.1 | H256 | H256-H260 WeakPolarHBondContact O-CB 3.21Å; H256-H260 PolarHBondContact O-N 3.22Å |
| 261 | S | 47.9 | Very low | 55.1 | Low | 93 Ų | 93 | 124.2 Ų | 124.2 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -4.3 | 178.3 | -60.7 | 0 | 0 | 0 | 0 | 114.4 | V257 E259 | V257-S261 WeakPolarHBondContact O-CB 3.19Å; V257-S261 PolarHBondContact O-N 3.3Å; V257-S261 PolarHBondContact O-OG 3.28Å; E259-S261 PolarHBondContact O-N 2.67Å |
| 262 | K | 47.1 | Very low | 54.1 | Low | 173 Ų | 173 | 127.5 Ų | 127.5 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | -2 | -177 | -81.6 | -179.6 | 176.2 | 174.5 | 0 | 114.7 | E259 | E259-K262 PolarHBondContact O-N 2.9Š|
| 263 | S | 44.1 | Very low | 53.8 | Low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -108 | 26.2 | -173.9 | -169.4 | 0 | 0 | 0 | 0 | 113.8 | E259 | E259-S263 PolarHBondContact O-N 3.37Š|
| 264 | S | 42.1 | Very low | 53.3 | Low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -108.5 | 1.9 | -173.5 | -162.7 | 0 | 0 | 0 | 0 | 116 | ||
| 265 | D | 44 | Very low | 52.9 | Low | 152 Ų | 152 | 119.8 Ų | 119.8 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -118 | -0.2 | -167.8 | -74.6 | -24.8 | 0 | 0 | 0 | 116.8 | ||
| 266 | D | 43.3 | Very low | 53.3 | Low | 157 Ų | 157 | 120.3 Ų | 120.3 | 84% | 0.84 | 64% | 0.642 | S | S | * | * | trans | -116.3 | 25 | -167.5 | -75 | -26.6 | 0 | 0 | 0 | 116.6 | ||||
| 267 | I | 46.5 | Very low | 54 | Low | 132 Ų | 132 | 120.3 Ų | 120.3 | 68% | 0.677 | 64% | 0.637 | S | S | * | * | trans | -128.3 | 73.4 | -174.3 | -48.8 | 175.9 | 0 | 0 | 0 | 111.8 | ||||
| 268 | L | 48.5 | Very low | 54.4 | Low | 157 Ų | 157 | 122.2 Ų | 122.2 | 82% | 0.822 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -144 | 21.4 | 175.2 | -81.2 | 178.8 | 0 | 0 | 0 | 115.1 | ||
| 269 | S | 51.4 | Low | 55.2 | Low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -133.2 | 11.5 | -176.9 | 62.4 | 0 | 0 | 0 | 0 | 116.4 | ||
| 270 | Y | 54.6 | Low | 56.4 | Low | 161 Ų | 161 | 123.7 Ų | 123.7 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | trans | -118.5 | 8.4 | -177.2 | -83.7 | -85.7 | 0 | 0 | 0 | 114.9 | E272 E274 | Y270-E272 PolarHBondContact O-N 3.21Å; Y270-E274 WeakPolarHBondContact O-CG 3.43Å; Y270-E274 PolarHBondContact O-N 3.35Å | ||
| 271 | D | 55.4 | Low | 57 | Low | 94 Ų | 94 | 122.4 Ų | 122.4 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.4 | -26.6 | -159.7 | -87.3 | -31.6 | 0 | 0 | 0 | 117 | A275 | D271-A275 WeakPolarHBondContact O-CB 3.32Å; D271-A275 PolarHBondContact O-N 3.35Å |
| 272 | E | 58.2 | Low | 58.2 | Low | 184 Ų | 184 | 122.8 Ų | 122.8 | 86% | 0.86 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -86 | -33.4 | -172.9 | -132.2 | 172.4 | -176.5 | 0 | 0 | 113.3 | Y270 | Y270-E272 PolarHBondContact O-N 3.21Å |
| 273 | E | 60.3 | Low | 59.3 | Low | 133 Ų | 133 | 121 Ų | 121 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -85.8 | -27.1 | 177.9 | -153.8 | -172.7 | -146.8 | 0 | 0 | 112.2 | R277 | E273-R277 PolarHBondContact O-N 3.42Å; E273-R277 IonicContact OE2-NH2 3.22Å; E273-R277 PolarHBondContact OE2-NH2 3.11Å |
| 274 | E | 61.3 | Low | 60.3 | Low | 46 Ų | 46 | 122.8 Ų | 122.8 | 22% | 0.215 | 62% | 0.617 | C | S | . | * | H | α-helix | trans | -69.9 | -32.4 | 170.2 | -74.5 | -168.5 | 147.3 | 0 | 0 | 112.8 | Y270 A276 R277 R278 | Y270-E274 WeakPolarHBondContact O-CG 3.43Å; Y270-E274 PolarHBondContact O-N 3.35Å; E274-A276 VanDerWaalsContact C-N 3.33Å; E274-A276 PolarHBondContact O-N 3.04Å; E274-R277 PolarHBondContact O-N 3.17Å; E274-R278 VanDerWaalsContact CB-NH1 3.29Å; E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 VanDerWaalsContact O-CG 3.24Å; E274-R278 WeakPolarHBondContact O-CG 3.3Å; E274-R278 PolarHBondContact O-N 2.63Å; E274-R278 IonicContact OE1-NH2 2.71Å; E274-R278 IonicContact OE2-CZ 2.78Å; E274-R278 VanDerWaalsContact OE2-CZ 3.27Å; E274-R278 IonicContact OE2-NH1 3.88Å; E274-R278 PolarHBondContact OE2-NH1 3.27Å; E274-R278 IonicContact OE2-NH2 3.27Å; E274-R278 PolarHBondContact OE2-NH2 3.41Å |
| 275 | A | 63.4 | Low | 61.5 | Low | 53 Ų | 53 | 122.5 Ų | 122.5 | 44% | 0.438 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61 | -40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D271 L279 | D271-A275 WeakPolarHBondContact O-CB 3.32Å; D271-A275 PolarHBondContact O-N 3.35Å; A275-L279 PolarHBondContact O-N 3.09Å |
| 276 | A | 72 | Confident | 62.6 | Low | 60 Ų | 60 | 122.2 Ų | 122.2 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.8 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E274 R280 | E274-A276 VanDerWaalsContact C-N 3.33Å; E274-A276 PolarHBondContact O-N 3.04Å; A276-R280 PolarHBondContact O-N 3.42Å |
| 277 | R | 73.2 | Confident | 63.7 | Low | 120 Ų | 120 | 120.5 Ų | 120.5 | 45% | 0.453 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.7 | -40.8 | 172.8 | -86.7 | -177.1 | -96.9 | 137.7 | -8.2 | 111.9 | E273 E274 R280 M281 | E273-R277 PolarHBondContact O-N 3.42Å; E273-R277 IonicContact OE2-NH2 3.22Å; E273-R277 PolarHBondContact OE2-NH2 3.11Å; E274-R277 PolarHBondContact O-N 3.17Å; R277-R280 PolarHBondContact O-N 2.67Å; R277-M281 WeakPolarHBondContact O-CB 3.32Å; R277-M281 PolarHBondContact O-N 3.43Å |
| 278 | R | 69.7 | Low | 64.4 | Low | 130 Ų | 130 | 119.1 Ų | 119.1 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -40.8 | 175.2 | -76.2 | 177.8 | 179.6 | 113.3 | 14.6 | 111.7 | E274 R280 M281 Q282 | E274-R278 VanDerWaalsContact CB-NH1 3.29Å; E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 VanDerWaalsContact O-CG 3.24Å; E274-R278 WeakPolarHBondContact O-CG 3.3Å; E274-R278 PolarHBondContact O-N 2.63Å; E274-R278 IonicContact OE1-NH2 2.71Å; E274-R278 IonicContact OE2-CZ 2.78Å; E274-R278 VanDerWaalsContact OE2-CZ 3.27Å; E274-R278 IonicContact OE2-NH1 3.88Å; E274-R278 PolarHBondContact OE2-NH1 3.27Å; E274-R278 IonicContact OE2-NH2 3.27Å; E274-R278 PolarHBondContact OE2-NH2 3.41Å; R278-R280 PolarHBondContact O-N 3.43Å; R278-M281 WeakPolarHBondContact O-CB 3.44Å; R278-M281 PolarHBondContact O-N 3.26Å; R278-Q282 VanDerWaalsContact O-CB 3.3Å; R278-Q282 WeakPolarHBondContact O-CB 3.42Å; R278-Q282 PolarHBondContact O-N 3.45Å |
| 279 | L | 73.3 | Confident | 65.1 | Low | 115 Ų | 115 | 116.5 Ų | 116.5 | 60% | 0.602 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63 | -44.1 | 178.3 | -154.3 | 98 | 0 | 0 | 0 | 112.3 | A275 M281 Q282 E283 | A275-L279 PolarHBondContact O-N 3.09Å; L279-M281 VanDerWaalsContact C-N 3.34Å; L279-Q282 PolarHBondContact O-N 2.92Å; L279-E283 PolarHBondContact O-N 3.01Å |
| 280 | R | 77.2 | Confident | 65.9 | Low | 188 Ų | 188 | 114.4 Ų | 114.4 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -38.8 | 174.7 | -69.6 | -176.8 | -174.4 | 160.4 | 3.7 | 112.1 | A276 R277 R278 Q282 E283 M284 | A276-R280 PolarHBondContact O-N 3.42Å; R277-R280 PolarHBondContact O-N 2.67Å; R278-R280 PolarHBondContact O-N 3.43Å; R280-Q282 VanDerWaalsContact C-N 3.33Å; R280-E283 PolarHBondContact O-N 3.47Å; R280-M284 WeakPolarHBondContact O-CG 3.34Å; R280-M284 PolarHBondContact O-N 3.16Å |
| 281 | M | 64.2 | Low | 66.8 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 59% | 0.586 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -41.6 | 175 | -164.7 | 173.7 | -70.9 | 0 | 0 | 110.8 | R277 R278 L279 E283 M284 E285 | R277-M281 WeakPolarHBondContact O-CB 3.32Å; R277-M281 PolarHBondContact O-N 3.43Å; R278-M281 WeakPolarHBondContact O-CB 3.44Å; R278-M281 PolarHBondContact O-N 3.26Å; L279-M281 VanDerWaalsContact C-N 3.34Å; M281-E283 PolarHBondContact O-N 3.4Å; M281-M284 CarbonylContact O-C 3.54Å; M281-M284 PolarHBondContact O-N 3.08Å; M281-E285 WeakPolarHBondContact O-CG 3.41Å; M281-E285 PolarHBondContact O-N 2.96Å |
| 282 | Q | 71.4 | Confident | 67.7 | Low | 101 Ų | 101 | 113.1 Ų | 113.1 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.7 | -31.6 | 178.8 | -157.6 | 178 | 44.6 | 0 | 0 | 113 | R278 L279 R280 E285 K286 | R278-Q282 VanDerWaalsContact O-CB 3.3Å; R278-Q282 WeakPolarHBondContact O-CB 3.42Å; R278-Q282 PolarHBondContact O-N 3.45Å; L279-Q282 PolarHBondContact O-N 2.92Å; R280-Q282 VanDerWaalsContact C-N 3.33Å; Q282-E285 PolarHBondContact O-N 3.12Å; Q282-K286 WeakPolarHBondContact O-CG 3.49Å; Q282-K286 PolarHBondContact O-N 3.43Å |
| 283 | E | 72.1 | Confident | 68.6 | Low | 135 Ų | 135 | 107.5 Ų | 107.5 | 63% | 0.631 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 172.6 | -165.1 | 160.8 | -156.3 | 0 | 0 | 111.4 | L279 R280 M281 K286 E287 | L279-E283 PolarHBondContact O-N 3.01Å; R280-E283 PolarHBondContact O-N 3.47Å; M281-E283 PolarHBondContact O-N 3.4Å; E283-K286 PolarHBondContact O-N 2.8Å; E283-E287 PolarHBondContact O-N 3.41Å |
| 284 | M | 64.2 | Low | 69.5 | Low | 134 Ų | 134 | 107.4 Ų | 107.4 | 66% | 0.66 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.9 | -34.9 | 172.3 | -61.5 | -69.6 | -79 | 0 | 0 | 112.4 | R280 M281 E287 L288 | R280-M284 WeakPolarHBondContact O-CG 3.34Å; R280-M284 PolarHBondContact O-N 3.16Å; M281-M284 CarbonylContact O-C 3.54Å; M281-M284 PolarHBondContact O-N 3.08Å; M284-E287 PolarHBondContact O-N 2.82Å; M284-L288 WeakPolarHBondContact O-CB 3.39Å; M284-L288 PolarHBondContact O-N 2.91Å; M284-L288 VanDerWaalsContact O-N 3.1Å |
| 285 | E | 66.2 | Low | 70.6 | Confident | 97 Ų | 97 | 109 Ų | 109 | 45% | 0.453 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 174 | -76.1 | 173 | 171.1 | 0 | 0 | 111.7 | M281 Q282 E287 L288 D289 | M281-E285 WeakPolarHBondContact O-CG 3.41Å; M281-E285 PolarHBondContact O-N 2.96Å; Q282-E285 PolarHBondContact O-N 3.12Å; E285-E287 VanDerWaalsContact C-N 3.32Å; E285-E287 PolarHBondContact O-N 3.19Å; E285-L288 CarbonylContact O-C 3.45Å; E285-L288 WeakPolarHBondContact O-CA 3.29Å; E285-L288 WeakPolarHBondContact O-CB 3.36Å; E285-L288 PolarHBondContact O-N 3.12Å; E285-D289 WeakPolarHBondContact O-CB 3.46Å; E285-D289 VanDerWaalsContact O-CG 3.29Å; E285-D289 PolarHBondContact O-N 2.89Å |
| 286 | K | 67.5 | Low | 71.6 | Confident | 146 Ų | 146 | 108.9 Ų | 108.9 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -36.3 | 176.3 | -77.1 | 178 | -179.5 | 173.4 | 0 | 113.1 | Q282 E283 L288 | Q282-K286 WeakPolarHBondContact O-CG 3.49Å; Q282-K286 PolarHBondContact O-N 3.43Å; E283-K286 PolarHBondContact O-N 2.8Å; K286-L288 VanDerWaalsContact C-N 3.3Å |
| 287 | E | 66.6 | Low | 72.1 | Confident | 121 Ų | 121 | 113.8 Ų | 113.8 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.3 | -30.8 | 172.7 | -72 | -164.1 | 162.9 | 0 | 0 | 112.4 | E283 M284 E285 | E283-E287 PolarHBondContact O-N 3.41Å; M284-E287 PolarHBondContact O-N 2.82Å; E285-E287 VanDerWaalsContact C-N 3.32Å; E285-E287 PolarHBondContact O-N 3.19Å |
| 288 | L | 62.1 | Low | 72.7 | Confident | 103 Ų | 103 | 112.8 Ų | 112.8 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76 | -40.1 | 177.8 | -157.8 | 72 | 0 | 0 | 0 | 111.7 | M284 E285 K286 G290 R291 I292 | M284-L288 WeakPolarHBondContact O-CB 3.39Å; M284-L288 PolarHBondContact O-N 2.91Å; M284-L288 VanDerWaalsContact O-N 3.1Å; E285-L288 CarbonylContact O-C 3.45Å; E285-L288 WeakPolarHBondContact O-CA 3.29Å; E285-L288 WeakPolarHBondContact O-CB 3.36Å; E285-L288 PolarHBondContact O-N 3.12Å; K286-L288 VanDerWaalsContact C-N 3.3Å; L288-G290 PolarHBondContact O-N 3.26Å; L288-R291 WeakPolarHBondContact O-CA 3.4Å; L288-R291 PolarHBondContact O-N 2.98Å; L288-I292 HydrophobicContact CG-CD1 4.3Å; L288-I292 HydrophobicContact CG-CG1 4.35Å; L288-I292 VanDerWaalsContact O-CG1 3.32Å; L288-I292 WeakPolarHBondContact O-CG1 3.11Å; L288-I292 PolarHBondContact O-N 3.44Å |
| 289 | D | 62.1 | Low | 73.7 | Confident | 102 Ų | 102 | 108 Ų | 108 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.8 | -35.3 | 178.2 | -77.4 | -20.3 | 0 | 0 | 0 | 112.5 | E285 R291 P293 | E285-D289 WeakPolarHBondContact O-CB 3.46Å; E285-D289 VanDerWaalsContact O-CG 3.29Å; E285-D289 PolarHBondContact O-N 2.89Å; D289-R291 VanDerWaalsContact C-N 3.32Å; D289-R291 PolarHBondContact O-N 3.21Å; D289-P293 WeakPolarHBondContact O-CD 3.41Å |
| 290 | G | 68.7 | Low | 74.3 | Confident | 60 Ų | 60 | 103.1 Ų | 103.1 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L288 | L288-G290 PolarHBondContact O-N 3.26Š|
| 291 | R | 73.5 | Confident | 74.8 | Confident | 170 Ų | 170 | 99.3 Ų | 99.3 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -26.2 | -177.6 | -62 | -178.2 | -171.4 | -168.4 | 5.8 | 112.9 | L288 D289 M294 L295 | L288-R291 WeakPolarHBondContact O-CA 3.4Å; L288-R291 PolarHBondContact O-N 2.98Å; D289-R291 VanDerWaalsContact C-N 3.32Å; D289-R291 PolarHBondContact O-N 3.21Å; R291-M294 PolarHBondContact O-N 3.28Å; R291-M294 VanDerWaalsContact O-N 3.16Å; R291-L295 PolarHBondContact O-N 3.27Å |
| 292 | I | 73.5 | Confident | 76 | Confident | 58 Ų | 58 | 96.9 Ų | 96.9 | 30% | 0.297 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.6 | -47.4 | -178.6 | -71.3 | 165.9 | 0 | 0 | 0 | 112.4 | L288 M294 L295 Q296 F387 | L288-I292 HydrophobicContact CG-CD1 4.3Å; L288-I292 HydrophobicContact CG-CG1 4.35Å; L288-I292 VanDerWaalsContact O-CG1 3.32Å; L288-I292 WeakPolarHBondContact O-CG1 3.11Å; L288-I292 PolarHBondContact O-N 3.44Å; I292-M294 VanDerWaalsContact C-N 3.33Å; I292-M294 PolarHBondContact O-N 3.42Å; I292-L295 PolarHBondContact O-N 3.4Å; I292-Q296 PolarHBondContact O-N 3.12Å; I292-F387 HydrophobicContact CG2-CD1 3.97Å; I292-F387 HydrophobicContact CG2-CE1 3.94Å |
| 293 | P | 77.6 | Confident | 76.8 | Confident | 66 Ų | 66 | 94.5 Ų | 94.5 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.4 | -32.9 | 178.2 | -21.2 | 32.5 | 0 | 0 | 0 | 113.4 | D289 K297 | D289-P293 WeakPolarHBondContact O-CD 3.41Å; P293-K297 WeakPolarHBondContact O-CG 3.29Å; P293-K297 PolarHBondContact O-N 3.12Å |
| 294 | M | 80.5 | Confident | 77.6 | Confident | 131 Ų | 131 | 93.1 Ų | 93.1 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.9 | -42 | 175.8 | -175.3 | 176.9 | 178.3 | 0 | 0 | 110.6 | R291 I292 K297 L298 | R291-M294 PolarHBondContact O-N 3.28Å; R291-M294 VanDerWaalsContact O-N 3.16Å; I292-M294 VanDerWaalsContact C-N 3.33Å; I292-M294 PolarHBondContact O-N 3.42Å; M294-K297 PolarHBondContact O-N 3.3Å; M294-L298 HydrophobicContact CE-CD1 4.45Å; M294-L298 HydrophobicContact CG-CD1 4.28Å; M294-L298 VanDerWaalsContact O-CG 3.32Å; M294-L298 WeakPolarHBondContact O-CG 3.47Å; M294-L298 PolarHBondContact O-N 2.91Å |
| 295 | L | 84 | Confident | 78.7 | Confident | 81 Ų | 81 | 91.9 Ų | 91.9 | 42% | 0.424 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 174.2 | -176.5 | 64.9 | 0 | 0 | 0 | 111.3 | R291 I292 K297 L298 L299 F387 | R291-L295 PolarHBondContact O-N 3.27Å; I292-L295 PolarHBondContact O-N 3.4Å; L295-K297 PolarHBondContact O-N 3.49Å; L295-L298 PolarHBondContact O-N 3.38Å; L295-L299 HydrophobicContact CD1-CD1 4.23Å; L295-L299 HydrophobicContact CD1-CG 4.21Å; L295-L299 HydrophobicContact CD2-CD1 4.47Å; L295-L299 HydrophobicContact CG-CD1 3.93Å; L295-L299 HydrophobicContact CG-CG 4.31Å; L295-L299 WeakPolarHBondContact O-CB 3.41Å; L295-L299 WeakPolarHBondContact O-CG 3.41Å; L295-L299 PolarHBondContact O-N 2.85Å; L295-F387 HydrophobicContact CD2-CZ 4.31Å; L295-F387 HydrophobicContact CG-CZ 4.27Å |
| 296 | Q | 84 | Confident | 79.8 | Confident | 49 Ų | 49 | 89 Ų | 89 | 23% | 0.229 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 176.5 | -176.5 | 177 | 26.6 | 0 | 0 | 112 | I292 L298 L299 A300 F387 P388 | I292-Q296 PolarHBondContact O-N 3.12Å; Q296-L298 PolarHBondContact O-N 3.49Å; Q296-L299 PolarHBondContact O-N 3.18Å; Q296-A300 WeakPolarHBondContact O-CB 3.47Å; Q296-A300 PolarHBondContact O-N 3.43Å; Q296-F387 HydrophobicContact CB-CD2 3.82Å; Q296-F387 HydrophobicContact CB-CE1 4.46Å; Q296-F387 HydrophobicContact CB-CE2 3.58Å; Q296-F387 HydrophobicContact CB-CG 4.37Å; Q296-F387 HydrophobicContact CB-CZ 3.91Å; Q296-F387 HydrophobicContact CG-CD2 3.54Å; Q296-F387 HydrophobicContact CG-CE2 3.74Å; Q296-F387 HydrophobicContact CG-CG 4.21Å; Q296-P388 PolarHBondContact NE2-O 3.34Å |
| 297 | K | 82.9 | Confident | 80.8 | Confident | 163 Ų | 163 | 83.8 Ų | 83.8 | 71% | 0.709 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 175.9 | -75 | 178.6 | -180 | -179.4 | 0 | 112.5 | P293 M294 L295 K301 | P293-K297 WeakPolarHBondContact O-CG 3.29Å; P293-K297 PolarHBondContact O-N 3.12Å; M294-K297 PolarHBondContact O-N 3.3Å; L295-K297 PolarHBondContact O-N 3.49Å; K297-K301 PolarHBondContact O-N 3.48Å; K297-K301 VanDerWaalsContact O-N 3.09Å |
| 298 | L | 86.2 | Confident | 81.8 | Confident | 100 Ų | 100 | 80.8 Ų | 80.8 | 52% | 0.524 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 177.4 | -72.4 | 169.6 | 0 | 0 | 0 | 111.8 | M294 L295 Q296 K301 T302 | M294-L298 HydrophobicContact CE-CD1 4.45Å; M294-L298 HydrophobicContact CG-CD1 4.28Å; M294-L298 VanDerWaalsContact O-CG 3.32Å; M294-L298 WeakPolarHBondContact O-CG 3.47Å; M294-L298 PolarHBondContact O-N 2.91Å; L295-L298 PolarHBondContact O-N 3.38Å; Q296-L298 PolarHBondContact O-N 3.49Å; L298-K301 PolarHBondContact O-N 2.92Å; L298-T302 PolarHBondContact O-N 3.17Å; L298-T302 PolarHBondContact O-OG1 3.47Å |
| 299 | L | 89.8 | Confident | 83.2 | Confident | 30 Ų | 30 | 83.2 Ų | 83.2 | 16% | 0.157 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 177.8 | -73.7 | 176.9 | 0 | 0 | 0 | 112.4 | L295 Q296 K301 T302 Y303 W378 I381 F387 V389 | L295-L299 HydrophobicContact CD1-CD1 4.23Å; L295-L299 HydrophobicContact CD1-CG 4.21Å; L295-L299 HydrophobicContact CD2-CD1 4.47Å; L295-L299 HydrophobicContact CG-CD1 3.93Å; L295-L299 HydrophobicContact CG-CG 4.31Å; L295-L299 WeakPolarHBondContact O-CB 3.41Å; L295-L299 WeakPolarHBondContact O-CG 3.41Å; L295-L299 PolarHBondContact O-N 2.85Å; Q296-L299 PolarHBondContact O-N 3.18Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 3.35Å; L299-T302 VanDerWaalsContact CA-OG1 3.31Å; L299-T302 WeakPolarHBondContact CA-OG1 3.33Å; L299-T302 PolarHBondContact O-N 3.5Å; L299-T302 PolarHBondContact O-OG1 2.87Å; L299-Y303 WeakPolarHBondContact O-CB 3.48Å; L299-Y303 PolarHBondContact O-N 3.39Å; L299-W378 HydrophobicContact CB-CZ3 4.26Å; L299-W378 HydrophobicContact CD2-CH2 4.19Å; L299-W378 HydrophobicContact CD2-CZ3 4.19Å; L299-W378 VanDerWaalsContact O-CH2 3.27Å; L299-W378 WeakPolarHBondContact O-CH2 3.39Å; L299-I381 HydrophobicContact CD1-CG2 4.1Å; L299-I381 HydrophobicContact CD2-CG2 4.4Å; L299-F387 HydrophobicContact CD1-CE2 3.96Å; L299-F387 HydrophobicContact CD1-CZ 3.92Å; L299-V389 VanDerWaalsContact C-CG1 3.49Å; L299-V389 HydrophobicContact CB-CG1 4.04Å; L299-V389 HydrophobicContact CB-CG2 4.04Å; L299-V389 HydrophobicContact CD1-CG2 4.39Å; L299-V389 WeakPolarHBondContact O-CG1 3.1Å |
| 300 | A | 86.9 | Confident | 84.4 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q296 T302 Y303 E304 V389 | Q296-A300 WeakPolarHBondContact O-CB 3.47Å; Q296-A300 PolarHBondContact O-N 3.43Å; A300-T302 PolarHBondContact O-N 2.67Å; A300-Y303 PolarHBondContact O-N 2.88Å; A300-E304 WeakPolarHBondContact O-CG 3.47Å; A300-E304 PolarHBondContact O-N 3.1Å; A300-V389 HydrophobicContact CB-CG1 4.44Å |
| 301 | K | 86 | Confident | 85.3 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 47% | 0.47 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.7 | -164.3 | 72 | -143 | 155.2 | 0 | 112.7 | K297 L298 L299 E304 L305 | K297-K301 PolarHBondContact O-N 3.48Å; K297-K301 VanDerWaalsContact O-N 3.09Å; L298-K301 PolarHBondContact O-N 2.92Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 3.35Å; K301-E304 IonicContact NZ-OE2 2.96Å; K301-E304 PolarHBondContact NZ-OE2 3.3Å; K301-L305 HydrophobicContact CG-CD1 4.36Å; K301-L305 WeakPolarHBondContact O-CB 3.48Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.4Å; K301-L305 PolarHBondContact O-N 2.96Å; K301-L305 VanDerWaalsContact O-N 3.1Å |
| 302 | T | 90.3 | Very high | 86.1 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.8 | -38 | 177.8 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | L298 L299 A300 L305 E306 W378 | L298-T302 PolarHBondContact O-N 3.17Å; L298-T302 PolarHBondContact O-OG1 3.47Å; L299-T302 VanDerWaalsContact CA-OG1 3.31Å; L299-T302 WeakPolarHBondContact CA-OG1 3.33Å; L299-T302 PolarHBondContact O-N 3.5Å; L299-T302 PolarHBondContact O-OG1 2.87Å; A300-T302 PolarHBondContact O-N 2.67Å; T302-L305 PolarHBondContact O-N 3.07Å; T302-E306 VanDerWaalsContact O-CB 3.29Å; T302-E306 WeakPolarHBondContact O-CB 3.48Å; T302-E306 PolarHBondContact O-N 3.42Å; T302-W378 WeakPolarHBondContact OG1-CH2 3.47Å |
| 303 | Y | 89 | Confident | 86.8 | Confident | 52 Ų | 52 | 76.2 Ų | 76.2 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.3 | -50.9 | 172.2 | 176.3 | -102 | 0 | 0 | 0 | 111.6 | L299 A300 L305 E306 V307 H374 W378 V389 Q390 | L299-Y303 WeakPolarHBondContact O-CB 3.48Å; L299-Y303 PolarHBondContact O-N 3.39Å; A300-Y303 PolarHBondContact O-N 2.88Å; Y303-L305 VanDerWaalsContact C-N 3.34Å; Y303-L305 PolarHBondContact O-N 2.66Å; Y303-E306 PolarHBondContact O-N 3.38Å; Y303-V307 HydrophobicContact CD1-CG2 4.17Å; Y303-V307 HydrophobicContact CD2-CG2 3.98Å; Y303-V307 HydrophobicContact CE1-CG2 3.8Å; Y303-V307 HydrophobicContact CE2-CG2 3.62Å; Y303-V307 HydrophobicContact CG-CG2 4.26Å; Y303-V307 WeakPolarHBondContact O-CB 3.42Å; Y303-V307 VanDerWaalsContact O-CG2 3.3Å; Y303-V307 WeakPolarHBondContact O-CG2 3.35Å; Y303-V307 PolarHBondContact O-N 3.44Å; Y303-H374 AromaticContact CD2-CE1 3.87Å; Y303-H374 AromaticContact CE2-CE1 3.6Å; Y303-W378 HydrophobicContact CD2-CB 4.2Å; Y303-W378 AromaticContact CD2-CD1 3.76Å; Y303-W378 AromaticContact CD2-CD2 3.54Å; Y303-W378 HydrophobicContact CD2-CD2 3.54Å; Y303-W378 AromaticContact CD2-CE2 3.71Å; Y303-W378 HydrophobicContact CD2-CE3 4.11Å; Y303-W378 AromaticContact CD2-CG 3.57Å; Y303-W378 HydrophobicContact CD2-CG 3.57Å; Y303-W378 HydrophobicContact CD2-CZ2 4.36Å; Y303-W378 AromaticContact CD2-NE1 3.82Å; Y303-W378 HydrophobicContact CE2-CB 4.23Å; Y303-W378 HydrophobicContact CE2-CD2 4.41Å; Y303-W378 AromaticContact CE2-CG 4Å; Y303-W378 HydrophobicContact CE2-CG 4Å; Y303-W378 HydrophobicContact CG-CD2 4.34Å; Y303-W378 VanDerWaalsContact N-CZ2 3.35Å; Y303-V389 HydrophobicContact CG-CG1 4.42Å; Y303-Q390 HydrophobicContact CE1-CG 4.26Å; Y303-Q390 HydrophobicContact CE2-CG 4.01Å |
| 304 | E | 88.7 | Confident | 87.3 | Confident | 105 Ų | 105 | 77.7 Ų | 77.7 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 178 | -76.5 | 179 | 176 | 0 | 0 | 112.6 | A300 K301 E306 A308 | A300-E304 WeakPolarHBondContact O-CG 3.47Å; A300-E304 PolarHBondContact O-N 3.1Å; K301-E304 IonicContact NZ-OE2 2.96Å; K301-E304 PolarHBondContact NZ-OE2 3.3Å; E304-E306 VanDerWaalsContact C-N 3.32Å; E304-E306 PolarHBondContact O-N 3.04Å; E304-A308 VanDerWaalsContact O-CB 3.23Å; E304-A308 WeakPolarHBondContact O-CB 3.23Å; E304-A308 PolarHBondContact O-N 2.96Å |
| 305 | L | 87.6 | Confident | 87.7 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.9 | -38.9 | 179.6 | -74.2 | 172.1 | 0 | 0 | 0 | 111.8 | K301 T302 Y303 R309 | K301-L305 HydrophobicContact CG-CD1 4.36Å; K301-L305 WeakPolarHBondContact O-CB 3.48Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.4Å; K301-L305 PolarHBondContact O-N 2.96Å; K301-L305 VanDerWaalsContact O-N 3.1Å; T302-L305 PolarHBondContact O-N 3.07Å; Y303-L305 VanDerWaalsContact C-N 3.34Å; Y303-L305 PolarHBondContact O-N 2.66Å; L305-R309 WeakPolarHBondContact O-CB 3.48Å; L305-R309 PolarHBondContact O-N 3.41Å |
| 306 | E | 88.8 | Confident | 88 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74 | -43.3 | -178.4 | -163.5 | 171.2 | -164.6 | 0 | 0 | 112.1 | T302 Y303 E304 A308 R309 L310 H374 R377 W378 | T302-E306 VanDerWaalsContact O-CB 3.29Å; T302-E306 WeakPolarHBondContact O-CB 3.48Å; T302-E306 PolarHBondContact O-N 3.42Å; Y303-E306 PolarHBondContact O-N 3.38Å; E304-E306 VanDerWaalsContact C-N 3.32Å; E304-E306 PolarHBondContact O-N 3.04Å; E306-A308 VanDerWaalsContact C-N 3.32Å; E306-A308 PolarHBondContact O-N 3.12Å; E306-R309 WeakPolarHBondContact O-CB 3.27Å; E306-R309 PolarHBondContact O-N 3.13Å; E306-R309 IonicContact OE1-NH2 3.05Å; E306-L310 HydrophobicContact CG-CD1 4.47Å; E306-L310 WeakPolarHBondContact O-CG 3.29Å; E306-L310 PolarHBondContact O-N 2.65Å; E306-H374 VanDerWaalsContact CG-CD2 3.43Å; E306-H374 WeakPolarHBondContact CG-CD2 3.43Å; E306-H374 IonicContact OE1-CD2 2.95Å; E306-H374 IonicContact OE2-CD2 3.94Å; E306-H374 PolarHBondContact OE2-CD2 2.99Å; E306-H374 IonicContact OE2-NE2 3.3Å; E306-R377 VanDerWaalsContact CD-NH2 3.28Å; E306-R377 IonicContact OE1-CZ 2.67Å; E306-R377 IonicContact OE1-NH1 2.9Å; E306-R377 IonicContact OE1-NH2 3.23Å; E306-R377 PolarHBondContact OE1-NH2 3.05Å; E306-R377 IonicContact OE2-CZ 3.93Å; E306-R377 IonicContact OE2-NH1 3.51Å; E306-R377 PolarHBondContact OE2-NH1 3.4Å; E306-R377 IonicContact OE2-NH2 2.68Å; E306-R377 PolarHBondContact OE2-NH2 3.37Å; E306-W378 PolarHBondContact OE2-NE1 3.42Å |
| 307 | V | 87.6 | Confident | 88.1 | Confident | 37 Ų | 37 | 74.8 Ų | 74.8 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 171.3 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | Y303 R309 L310 N311 H374 | Y303-V307 HydrophobicContact CD1-CG2 4.17Å; Y303-V307 HydrophobicContact CD2-CG2 3.98Å; Y303-V307 HydrophobicContact CE1-CG2 3.8Å; Y303-V307 HydrophobicContact CE2-CG2 3.62Å; Y303-V307 HydrophobicContact CG-CG2 4.26Å; Y303-V307 WeakPolarHBondContact O-CB 3.42Å; Y303-V307 VanDerWaalsContact O-CG2 3.3Å; Y303-V307 WeakPolarHBondContact O-CG2 3.35Å; Y303-V307 PolarHBondContact O-N 3.44Å; V307-R309 VanDerWaalsContact C-N 3.34Å; V307-R309 PolarHBondContact O-N 2.87Å; V307-L310 PolarHBondContact O-N 3.44Å; V307-N311 VanDerWaalsContact CG1-ND2 3.3Å; V307-N311 WeakPolarHBondContact CG1-ND2 3.13Å; V307-N311 VanDerWaalsContact O-CB 3.26Å; V307-N311 WeakPolarHBondContact O-CB 3.23Å; V307-N311 PolarHBondContact O-N 3.25Å; V307-N311 PolarHBondContact O-ND2 3.3Å; V307-H374 WeakPolarHBondContact CG2-CE1 3.44Å |
| 308 | A | 89.1 | Confident | 88.4 | Confident | 59 Ų | 59 | 70.1 Ų | 70.1 | 49% | 0.488 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E304 E306 Q312 | E304-A308 VanDerWaalsContact O-CB 3.23Å; E304-A308 WeakPolarHBondContact O-CB 3.23Å; E304-A308 PolarHBondContact O-N 2.96Å; E306-A308 VanDerWaalsContact C-N 3.32Å; E306-A308 PolarHBondContact O-N 3.12Å; A308-Q312 VanDerWaalsContact O-CB 3.32Å; A308-Q312 WeakPolarHBondContact O-CB 3.44Å; A308-Q312 PolarHBondContact O-N 3.08Å |
| 309 | R | 90 | Very high | 88.6 | Confident | 154 Ų | 154 | 71.6 Ų | 71.6 | 58% | 0.581 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.2 | -48.5 | 176.5 | -173.8 | -172.8 | 72.1 | 147.3 | -0.2 | 112 | L305 E306 V307 Q312 E313 | L305-R309 WeakPolarHBondContact O-CB 3.48Å; L305-R309 PolarHBondContact O-N 3.41Å; E306-R309 WeakPolarHBondContact O-CB 3.27Å; E306-R309 PolarHBondContact O-N 3.13Å; E306-R309 IonicContact OE1-NH2 3.05Å; V307-R309 VanDerWaalsContact C-N 3.34Å; V307-R309 PolarHBondContact O-N 2.87Å; R309-Q312 WeakPolarHBondContact O-CB 3.38Å; R309-Q312 PolarHBondContact O-N 2.85Å; R309-E313 PolarHBondContact O-N 3.24Å |
| 310 | L | 86.9 | Confident | 88.6 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | -178.9 | -70 | 174 | 0 | 0 | 0 | 112.1 | E306 V307 E313 K314 S370 H374 | E306-L310 HydrophobicContact CG-CD1 4.47Å; E306-L310 WeakPolarHBondContact O-CG 3.29Å; E306-L310 PolarHBondContact O-N 2.65Å; V307-L310 PolarHBondContact O-N 3.44Å; L310-E313 PolarHBondContact O-N 3.47Å; L310-K314 WeakPolarHBondContact O-CB 2.93Å; L310-K314 PolarHBondContact O-N 2.87Å; L310-S370 WeakPolarHBondContact CD2-OG 3.48Å; L310-H374 HydrophobicContact CD1-CB 3.49Å; L310-H374 VanDerWaalsContact CD1-CB 3.49Å; L310-H374 WeakPolarHBondContact CD1-CD2 3.37Å |
| 311 | N | 88.8 | Confident | 88.5 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.4 | -79 | -33.6 | 0 | 0 | 0 | 112 | V307 K314 I315 | V307-N311 VanDerWaalsContact CG1-ND2 3.3Å; V307-N311 WeakPolarHBondContact CG1-ND2 3.13Å; V307-N311 VanDerWaalsContact O-CB 3.26Å; V307-N311 WeakPolarHBondContact O-CB 3.23Å; V307-N311 PolarHBondContact O-N 3.25Å; V307-N311 PolarHBondContact O-ND2 3.3Å; N311-K314 WeakPolarHBondContact O-CB 3.43Å; N311-K314 PolarHBondContact O-N 2.98Å; N311-I315 VanDerWaalsContact O-CG1 3.24Å; N311-I315 WeakPolarHBondContact O-CG1 3.49Å; N311-I315 PolarHBondContact O-N 3.49Å |
| 312 | Q | 90.5 | Very high | 88.6 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 174.2 | -177.9 | 62.2 | 26.7 | 0 | 0 | 111.2 | A308 R309 K314 I315 E316 | A308-Q312 VanDerWaalsContact O-CB 3.32Å; A308-Q312 WeakPolarHBondContact O-CB 3.44Å; A308-Q312 PolarHBondContact O-N 3.08Å; R309-Q312 WeakPolarHBondContact O-CB 3.38Å; R309-Q312 PolarHBondContact O-N 2.85Å; Q312-K314 VanDerWaalsContact C-N 3.33Å; Q312-K314 PolarHBondContact O-N 3.28Å; Q312-I315 PolarHBondContact O-N 2.85Å; Q312-E316 WeakPolarHBondContact CG-OE1 3.24Å; Q312-E316 PolarHBondContact NE2-OE1 2.91Å; Q312-E316 WeakPolarHBondContact O-CG 3.42Å; Q312-E316 PolarHBondContact O-N 3.42Å |
| 313 | E | 88.4 | Confident | 88.5 | Confident | 70 Ų | 70 | 74.8 Ų | 74.8 | 33% | 0.327 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 177.2 | -165 | -177.1 | 169 | 0 | 0 | 112 | R309 L310 E316 N317 T367 | R309-E313 PolarHBondContact O-N 3.24Å; L310-E313 PolarHBondContact O-N 3.47Å; E313-E316 PolarHBondContact O-N 2.89Å; E313-N317 WeakPolarHBondContact O-CB 3.24Å; E313-N317 PolarHBondContact O-N 2.65Å; E313-N317 PolarHBondContact O-ND2 2.96Å; E313-T367 HydrophobicContact CB-CG2 4.35Å; E313-T367 HydrophobicContact CG-CG2 3.64Å; E313-T367 VanDerWaalsContact OE1-CG2 3.26Å; E313-T367 WeakPolarHBondContact OE1-CG2 3.28Å |
| 314 | K | 86.6 | Confident | 88.4 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 173.3 | 178.4 | -177.7 | 175.4 | -179.5 | 0 | 112 | L310 N311 Q312 N317 L318 | L310-K314 WeakPolarHBondContact O-CB 2.93Å; L310-K314 PolarHBondContact O-N 2.87Å; N311-K314 WeakPolarHBondContact O-CB 3.43Å; N311-K314 PolarHBondContact O-N 2.98Å; Q312-K314 VanDerWaalsContact C-N 3.33Å; Q312-K314 PolarHBondContact O-N 3.28Å; K314-N317 PolarHBondContact O-N 3.02Å; K314-L318 HydrophobicContact CG-CD1 4.08Å; K314-L318 WeakPolarHBondContact O-CB 3.44Å; K314-L318 VanDerWaalsContact O-CG 3.28Å; K314-L318 WeakPolarHBondContact O-CG 3.25Å; K314-L318 PolarHBondContact O-N 2.98Å |
| 315 | I | 89.3 | Confident | 88.3 | Confident | 101 Ų | 101 | 74.2 Ų | 74.2 | 52% | 0.518 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 178.7 | -69.7 | 163.9 | 0 | 0 | 0 | 110.5 | N311 Q312 L318 K319 | N311-I315 VanDerWaalsContact O-CG1 3.24Å; N311-I315 WeakPolarHBondContact O-CG1 3.49Å; N311-I315 PolarHBondContact O-N 3.49Å; Q312-I315 PolarHBondContact O-N 2.85Å; I315-L318 PolarHBondContact O-N 3.43Å; I315-K319 WeakPolarHBondContact O-CB 3.16Å; I315-K319 PolarHBondContact O-N 3.09Å |
| 316 | E | 89.9 | Confident | 88.4 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 46% | 0.458 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.2 | -73 | 174.3 | -170.1 | 0 | 0 | 112 | Q312 E313 L318 K319 E320 | Q312-E316 WeakPolarHBondContact CG-OE1 3.24Å; Q312-E316 PolarHBondContact NE2-OE1 2.91Å; Q312-E316 WeakPolarHBondContact O-CG 3.42Å; Q312-E316 PolarHBondContact O-N 3.42Å; E313-E316 PolarHBondContact O-N 2.89Å; E316-L318 PolarHBondContact O-N 3.14Å; E316-K319 PolarHBondContact O-N 3.49Å; E316-E320 PolarHBondContact O-N 2.83Å |
| 317 | N | 87.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.8 | -71.5 | -13.8 | 0 | 0 | 0 | 112.5 | E313 K314 E320 M321 K363 M364 T367 | E313-N317 WeakPolarHBondContact O-CB 3.24Å; E313-N317 PolarHBondContact O-N 2.65Å; E313-N317 PolarHBondContact O-ND2 2.96Å; K314-N317 PolarHBondContact O-N 3.02Å; N317-E320 PolarHBondContact O-N 3.08Å; N317-M321 WeakPolarHBondContact O-CB 3.38Å; N317-M321 PolarHBondContact O-N 2.88Å; N317-K363 WeakPolarHBondContact OD1-CD 3.41Å; N317-K363 WeakPolarHBondContact OD1-CE 3.31Å; N317-K363 PolarHBondContact OD1-NZ 2.99Å; N317-M364 HydrophobicContact CB-CE 3.63Å; N317-M364 HydrophobicContact CB-SD 4.28Å; N317-T367 WeakPolarHBondContact ND2-CG2 3.36Å; N317-T367 PolarHBondContact ND2-OG1 2.85Å |
| 318 | L | 88.3 | Confident | 88 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 34% | 0.335 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 175.9 | -74.9 | 172.1 | 0 | 0 | 0 | 112.1 | K314 I315 E316 M321 R322 M364 | K314-L318 HydrophobicContact CG-CD1 4.08Å; K314-L318 WeakPolarHBondContact O-CB 3.44Å; K314-L318 VanDerWaalsContact O-CG 3.28Å; K314-L318 WeakPolarHBondContact O-CG 3.25Å; K314-L318 PolarHBondContact O-N 2.98Å; I315-L318 PolarHBondContact O-N 3.43Å; E316-L318 PolarHBondContact O-N 3.14Å; L318-M321 PolarHBondContact O-N 3.28Å; L318-R322 PolarHBondContact O-N 3.31Å; L318-M364 HydrophobicContact CD2-CE 3.69Å; L318-M364 HydrophobicContact CG-CE 3.93Å |
| 319 | K | 91.6 | Very high | 87.9 | Confident | 132 Ų | 132 | 76 Ų | 76 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 173.7 | -176 | -176.2 | 174.3 | -173.8 | 0 | 110.9 | I315 E316 M321 R322 E323 | I315-K319 WeakPolarHBondContact O-CB 3.16Å; I315-K319 PolarHBondContact O-N 3.09Å; E316-K319 PolarHBondContact O-N 3.49Å; K319-M321 VanDerWaalsContact C-N 3.31Å; K319-M321 PolarHBondContact O-N 3.41Å; K319-R322 WeakPolarHBondContact O-CB 3.3Å; K319-R322 PolarHBondContact O-N 3.17Å; K319-R322 VanDerWaalsContact O-N 3.08Å; K319-E323 PolarHBondContact O-N 2.8Å |
| 320 | E | 88.4 | Confident | 87.6 | Confident | 45 Ų | 45 | 74 Ų | 74 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 179.7 | -155.6 | -172 | 159.5 | 0 | 0 | 111.8 | E316 N317 E323 A324 R356 L360 K363 | E316-E320 PolarHBondContact O-N 2.83Å; N317-E320 PolarHBondContact O-N 3.08Å; E320-E323 PolarHBondContact O-N 3.49Å; E320-A324 PolarHBondContact O-N 3.16Å; E320-R356 IonicContact OE1-NE 2.92Å; E320-R356 IonicContact OE1-NH2 2.82Å; E320-L360 HydrophobicContact CB-CD2 3.66Å; E320-L360 HydrophobicContact CG-CD1 4.28Å; E320-L360 HydrophobicContact CG-CD2 3.62Å; E320-L360 HydrophobicContact CG-CG 4.46Å; E320-K363 IonicContact OE2-NZ 3.29Å; E320-K363 PolarHBondContact OE2-NZ 3.38Å |
| 321 | M | 86.3 | Confident | 87 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 22% | 0.217 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 169.3 | -87.3 | -169.8 | 170 | 0 | 0 | 113.3 | N317 L318 K319 A324 R325 L360 K361 M364 | N317-M321 WeakPolarHBondContact O-CB 3.38Å; N317-M321 PolarHBondContact O-N 2.88Å; L318-M321 PolarHBondContact O-N 3.28Å; K319-M321 VanDerWaalsContact C-N 3.31Å; K319-M321 PolarHBondContact O-N 3.41Å; M321-A324 PolarHBondContact O-N 3.4Å; M321-R325 WeakPolarHBondContact O-CB 3.15Å; M321-R325 PolarHBondContact O-N 3.12Å; M321-L360 HydrophobicContact CG-CB 4.26Å; M321-K361 HydrophobicContact CE-CG 4.28Å; M321-M364 HydrophobicContact CE-CB 3.59Å; M321-M364 HydrophobicContact CE-CE 4.07Å; M321-M364 HydrophobicContact CE-CG 3.94Å; M321-M364 HydrophobicContact CG-CE 4.27Å; M321-M364 HydrophobicContact SD-CE 3.5Å; M321-M364 VanDerWaalsContact SD-CE 3.5Å; M321-M364 HydrophobicContact SD-CG 4.43Å |
| 322 | R | 87.9 | Confident | 86.5 | Confident | 117 Ų | 117 | 81.4 Ų | 81.4 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.2 | -170.8 | -177.6 | -63.5 | 166.6 | 0.6 | 111 | L318 K319 A324 R325 E326 H495 | L318-R322 PolarHBondContact O-N 3.31Å; K319-R322 WeakPolarHBondContact O-CB 3.3Å; K319-R322 PolarHBondContact O-N 3.17Å; K319-R322 VanDerWaalsContact O-N 3.08Å; R322-A324 PolarHBondContact O-N 2.95Å; R322-R325 WeakPolarHBondContact O-CB 3.47Å; R322-R325 PolarHBondContact O-N 2.68Å; R322-E326 WeakPolarHBondContact O-CG 3.43Å; R322-E326 PolarHBondContact O-N 3.4Å; R322-H495 PolarHBondContact NH2-CD2 2.86Å; R322-H495 PolarHBondContact NH2-NE2 3.08Å |
| 323 | E | 88.6 | Confident | 85.9 | Confident | 77 Ų | 77 | 83.6 Ų | 83.6 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 175.2 | -68.3 | 174.3 | -168.6 | 0 | 0 | 111.8 | K319 E320 R325 E326 L327 R356 | K319-E323 PolarHBondContact O-N 2.8Å; E320-E323 PolarHBondContact O-N 3.49Å; E323-R325 PolarHBondContact O-N 3.21Å; E323-E326 PolarHBondContact O-N 3Å; E323-L327 WeakPolarHBondContact O-CG 3.43Å; E323-L327 PolarHBondContact O-N 2.94Å; E323-R356 IonicContact OE2-NH2 2.99Å; E323-R356 PolarHBondContact OE2-NH2 3.08Å |
| 324 | A | 86.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 85.4 Ų | 85.4 | 3% | 0.033 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E320 M321 R322 E326 L327 V328 I357 L360 | E320-A324 PolarHBondContact O-N 3.16Å; M321-A324 PolarHBondContact O-N 3.4Å; R322-A324 PolarHBondContact O-N 2.95Å; A324-E326 PolarHBondContact O-N 3.01Å; A324-L327 WeakPolarHBondContact O-CB 3.4Å; A324-L327 PolarHBondContact O-N 2.82Å; A324-V328 WeakPolarHBondContact O-CG2 3.36Å; A324-V328 PolarHBondContact O-N 3.24Å; A324-I357 HydrophobicContact CB-CG1 4.21Å; A324-L360 HydrophobicContact CB-CD1 3.56Å |
| 325 | R | 86.8 | Confident | 84 | Confident | 141 Ų | 141 | 87.6 Ų | 87.6 | 53% | 0.532 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 174.2 | 178.9 | -177.6 | 167.6 | -178.2 | -0.2 | 111.7 | M321 R322 E323 L327 V328 E329 | M321-R325 WeakPolarHBondContact O-CB 3.15Å; M321-R325 PolarHBondContact O-N 3.12Å; R322-R325 WeakPolarHBondContact O-CB 3.47Å; R322-R325 PolarHBondContact O-N 2.68Å; E323-R325 PolarHBondContact O-N 3.21Å; R325-L327 VanDerWaalsContact C-N 3.29Å; R325-L327 PolarHBondContact O-N 3.31Å; R325-V328 PolarHBondContact O-N 3.11Å; R325-E329 IonicContact CZ-OE1 3.16Å; R325-E329 IonicContact NE-OE1 2.79Å; R325-E329 PolarHBondContact NE-OE1 3.29Å; R325-E329 IonicContact NH2-OE1 2.81Å; R325-E329 PolarHBondContact NH2-OE1 2.91Å; R325-E329 PolarHBondContact O-N 3.01Å |
| 326 | E | 88.6 | Confident | 82.7 | Confident | 90 Ų | 90 | 87 Ų | 87 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.7 | -72.8 | 178.7 | -161.7 | 0 | 0 | 112.3 | R322 E323 A324 E329 K330 | R322-E326 WeakPolarHBondContact O-CG 3.43Å; R322-E326 PolarHBondContact O-N 3.4Å; E323-E326 PolarHBondContact O-N 3Å; A324-E326 PolarHBondContact O-N 3.01Å; E326-E329 PolarHBondContact O-N 3.37Å; E326-K330 WeakPolarHBondContact O-CB 3.22Å; E326-K330 WeakPolarHBondContact O-CD 3.41Å; E326-K330 WeakPolarHBondContact O-CG 3.45Å; E326-K330 PolarHBondContact O-N 3.31Å |
| 327 | L | 85.2 | Confident | 81.3 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 174.6 | -68.1 | 173.6 | 0 | 0 | 0 | 111.9 | E323 A324 R325 K330 L331 I353 | E323-L327 WeakPolarHBondContact O-CG 3.43Å; E323-L327 PolarHBondContact O-N 2.94Å; A324-L327 WeakPolarHBondContact O-CB 3.4Å; A324-L327 PolarHBondContact O-N 2.82Å; R325-L327 VanDerWaalsContact C-N 3.29Å; R325-L327 PolarHBondContact O-N 3.31Å; L327-K330 PolarHBondContact O-N 3.17Å; L327-L331 PolarHBondContact O-N 2.99Å; L327-I353 HydrophobicContact CB-CD1 4.13Å; L327-I353 HydrophobicContact CB-CG1 4.26Å |
| 328 | V | 84.2 | Confident | 79.6 | Confident | 59 Ų | 59 | 94.7 Ų | 94.7 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 174.7 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | A324 R325 K330 L331 R332 I353 I357 | A324-V328 WeakPolarHBondContact O-CG2 3.36Å; A324-V328 PolarHBondContact O-N 3.24Å; R325-V328 PolarHBondContact O-N 3.11Å; V328-K330 VanDerWaalsContact C-N 3.32Å; V328-K330 PolarHBondContact O-N 3.22Å; V328-L331 PolarHBondContact O-N 3.16Å; V328-R332 WeakPolarHBondContact O-CB 3.33Å; V328-R332 PolarHBondContact O-N 2.99Å; V328-I353 HydrophobicContact CG2-CG2 3.52Å; V328-I357 HydrophobicContact CG2-CD1 3.46Å; V328-I357 VanDerWaalsContact CG2-CD1 3.46Å |
| 329 | E | 85.5 | Confident | 78 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 35% | 0.35 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 178.2 | -74.3 | -176.1 | -164.5 | 0 | 0 | 111.9 | R325 E326 R332 K333 | R325-E329 IonicContact CZ-OE1 3.16Å; R325-E329 IonicContact NE-OE1 2.79Å; R325-E329 PolarHBondContact NE-OE1 3.29Å; R325-E329 IonicContact NH2-OE1 2.81Å; R325-E329 PolarHBondContact NH2-OE1 2.91Å; R325-E329 PolarHBondContact O-N 3.01Å; E326-E329 PolarHBondContact O-N 3.37Å; E329-R332 PolarHBondContact O-N 3.49Å; E329-K333 WeakPolarHBondContact O-CB 3.15Å; E329-K333 WeakPolarHBondContact O-CG 3.05Å; E329-K333 PolarHBondContact O-N 2.85Å |
| 330 | K | 84.5 | Confident | 76.2 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 172.6 | -76 | 167.1 | -175.7 | 168 | 0 | 111.4 | E326 L327 V328 K333 K334 | E326-K330 WeakPolarHBondContact O-CB 3.22Å; E326-K330 WeakPolarHBondContact O-CD 3.41Å; E326-K330 WeakPolarHBondContact O-CG 3.45Å; E326-K330 PolarHBondContact O-N 3.31Å; L327-K330 PolarHBondContact O-N 3.17Å; V328-K330 VanDerWaalsContact C-N 3.32Å; V328-K330 PolarHBondContact O-N 3.22Å; K330-K333 PolarHBondContact O-N 3.18Å; K330-K334 WeakPolarHBondContact O-CG 3.41Å; K330-K334 PolarHBondContact O-N 2.79Å |
| 331 | L | 74.2 | Confident | 74.6 | Confident | 33 Ų | 33 | 101 Ų | 101 | 17% | 0.173 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.5 | -136.4 | 86.7 | 0 | 0 | 0 | 111.3 | L327 V328 K333 K334 H335 E349 I353 | L327-L331 PolarHBondContact O-N 2.99Å; V328-L331 PolarHBondContact O-N 3.16Å; L331-K333 VanDerWaalsContact C-N 3.35Å; L331-K333 PolarHBondContact O-N 3.01Å; L331-K334 WeakPolarHBondContact O-CB 3.47Å; L331-K334 PolarHBondContact O-N 3.46Å; L331-H335 PolarHBondContact O-CD2 2.81Å; L331-H335 VanDerWaalsContact O-CD2 3.31Å; L331-H335 PolarHBondContact O-N 3.38Å; L331-E349 HydrophobicContact CD1-CB 4.39Å; L331-E349 HydrophobicContact CD1-CG 3.83Å; L331-I353 HydrophobicContact CD1-CD1 3.82Å; L331-I353 HydrophobicContact CD2-CD1 4.43Å |
| 332 | R | 78.4 | Confident | 73 | Confident | 196 Ų | 196 | 106.4 Ų | 106.4 | 74% | 0.74 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -41.2 | 176.8 | -177.6 | 176.6 | 164.4 | 140.9 | -2.6 | 112.2 | V328 E329 H335 S336 | V328-R332 WeakPolarHBondContact O-CB 3.33Å; V328-R332 PolarHBondContact O-N 2.99Å; E329-R332 PolarHBondContact O-N 3.49Å; R332-H335 PolarHBondContact O-N 3.31Å; R332-S336 WeakPolarHBondContact O-CB 3.37Å; R332-S336 PolarHBondContact O-N 3.18Å |
| 333 | K | 78.5 | Confident | 71.2 | Confident | 144 Ų | 144 | 111 Ų | 111 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 175.2 | -74.2 | 172.1 | -178 | 172.3 | 0 | 112.3 | E329 K330 L331 S336 S337 | E329-K333 WeakPolarHBondContact O-CB 3.15Å; E329-K333 WeakPolarHBondContact O-CG 3.05Å; E329-K333 PolarHBondContact O-N 2.85Å; K330-K333 PolarHBondContact O-N 3.18Å; L331-K333 VanDerWaalsContact C-N 3.35Å; L331-K333 PolarHBondContact O-N 3.01Å; K333-S336 PolarHBondContact O-N 2.93Å; K333-S336 PolarHBondContact O-OG 3.18Å; K333-S337 PolarHBondContact O-N 2.92Å |
| 334 | K | 71.2 | Confident | 69.4 | Low | 108 Ų | 108 | 113.2 Ų | 113.2 | 47% | 0.47 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.2 | -44.8 | 172.9 | -70.1 | 174.1 | -178.7 | 176.8 | 0 | 110.8 | K330 L331 S337 E349 | K330-K334 WeakPolarHBondContact O-CG 3.41Å; K330-K334 PolarHBondContact O-N 2.79Å; L331-K334 WeakPolarHBondContact O-CB 3.47Å; L331-K334 PolarHBondContact O-N 3.46Å; K334-S337 PolarHBondContact O-OG 3.37Å; K334-E349 IonicContact NZ-OE1 3.41Å; K334-E349 PolarHBondContact NZ-OE1 2.92Å; K334-E349 VanDerWaalsContact NZ-OE1 3.15Å; K334-E349 IonicContact NZ-OE2 3.57Å |
| 335 | H | 61.9 | Low | 67.8 | Low | 144 Ų | 144 | 118.1 Ų | 118.1 | 67% | 0.667 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.4 | -26.6 | 178.7 | -84.4 | -84 | 0 | 0 | 0 | 114.9 | L331 R332 | L331-H335 PolarHBondContact O-CD2 2.81Å; L331-H335 VanDerWaalsContact O-CD2 3.31Å; L331-H335 PolarHBondContact O-N 3.38Å; R332-H335 PolarHBondContact O-N 3.31Å |
| 336 | S | 63.7 | Low | 65.9 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -82.4 | -12.9 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 113.9 | R332 K333 F338 | R332-S336 WeakPolarHBondContact O-CB 3.37Å; R332-S336 PolarHBondContact O-N 3.18Å; K333-S336 PolarHBondContact O-N 2.93Å; K333-S336 PolarHBondContact O-OG 3.18Å; S336-F338 PolarHBondContact O-N 3.01Å |
| 337 | S | 59 | Low | 64.4 | Low | 60 Ų | 60 | 116.7 Ų | 116.7 | 42% | 0.42 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -72 | 116.7 | 173.3 | 70.8 | 0 | 0 | 0 | 0 | 109.3 | K333 K334 V339 S340 | K333-S337 PolarHBondContact O-N 2.92Å; K334-S337 PolarHBondContact O-OG 3.37Å; S337-V339 PolarHBondContact O-N 3.02Å; S337-S340 PolarHBondContact O-N 3.43Å |
| 338 | F | 53 | Low | 63.7 | Low | 201 Ų | 201 | 117 Ų | 117 | 88% | 0.882 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -5.8 | -170.3 | -129.6 | -93.5 | 0 | 0 | 0 | 115.8 | S336 | S336-F338 PolarHBondContact O-N 3.01Š|
| 339 | V | 54.8 | Low | 63.1 | Low | 129 Ų | 129 | 118.1 Ų | 118.1 | 78% | 0.782 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -10.5 | -174.2 | -158 | 0 | 0 | 0 | 0 | 112.1 | S337 | S337-V339 PolarHBondContact O-N 3.02Š|
| 340 | S | 52.9 | Low | 62.6 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -90.6 | 2.6 | -170.1 | -161.8 | 0 | 0 | 0 | 0 | 115.8 | S337 I342 | S337-S340 PolarHBondContact O-N 3.43Å; S340-I342 PolarHBondContact O-N 3.38Å |
| 341 | Q | 55.5 | Low | 62.4 | Low | 181 Ų | 181 | 116.6 Ų | 116.6 | 85% | 0.846 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -68.8 | -1.2 | -179.9 | -101.3 | 169.2 | -18.2 | 0 | 0 | 114.9 | ||
| 342 | I | 52.7 | Low | 62.9 | Low | 157 Ų | 157 | 121.2 Ų | 121.2 | 81% | 0.805 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -112.4 | 7.9 | -166.9 | -59.3 | 177.3 | 0 | 0 | 0 | 114 | S340 | S340-I342 PolarHBondContact O-N 3.38Š|
| 343 | R | 49 | Very low | 63.1 | Low | 214 Ų | 214 | 112.6 Ų | 112.6 | 81% | 0.808 | 59% | 0.593 | S | S | * | * | trans | -137 | 72.9 | 172.2 | -165.7 | 159.8 | -92.7 | 168.3 | -7 | 113.4 | V345 | R343-V345 VanDerWaalsContact C-N 3.33Å; R343-V345 HydrophobicContact CG-CG2 4.06Å; R343-V345 PolarHBondContact O-N 3.16Å | ||
| 344 | S | 50.5 | Low | 63.5 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 86% | 0.86 | 59% | 0.589 | S | S | * | * | trans | -68.8 | 82.5 | 163.7 | 63 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 345 | V | 53.1 | Low | 64.3 | Low | 106 Ų | 106 | 111.4 Ų | 111.4 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | trans | -143.4 | 11.1 | 170.3 | -156.9 | 0 | 0 | 0 | 0 | 113.8 | R343 | R343-V345 VanDerWaalsContact C-N 3.33Å; R343-V345 HydrophobicContact CG-CG2 4.06Å; R343-V345 PolarHBondContact O-N 3.16Å | ||
| 346 | H | 46.5 | Very low | 65.6 | Low | 146 Ų | 146 | 108.7 Ų | 108.7 | 68% | 0.676 | 58% | 0.582 | S | S | * | * | trans | -135.6 | 67.7 | 172.8 | -68.8 | 85.9 | 0 | 0 | 0 | 111.9 | S348 | H346-S348 PolarHBondContact O-N 2.97Š| ||
| 347 | G | 57.8 | Low | 66.7 | Low | 56 Ų | 56 | 106.7 Ų | 106.7 | 58% | 0.577 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.5 | -15.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E349 E351 | G347-E349 PolarHBondContact O-N 3.5Å; G347-E351 PolarHBondContact O-N 3.42Å |
| 348 | S | 71.4 | Confident | 68.1 | Low | 59 Ų | 59 | 108.3 Ų | 108.3 | 41% | 0.413 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.7 | -25.4 | -176.1 | 60.9 | 0 | 0 | 0 | 0 | 114.8 | H346 Q352 | H346-S348 PolarHBondContact O-N 2.97Å; S348-Q352 WeakPolarHBondContact O-CB 3.16Å; S348-Q352 VanDerWaalsContact O-CG 3.25Å; S348-Q352 WeakPolarHBondContact O-CG 3.46Å; S348-Q352 PolarHBondContact O-N 3.3Å; S348-Q352 PolarHBondContact O-NE2 3.16Å |
| 349 | E | 71 | Confident | 69.9 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 39% | 0.393 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -73 | -40.8 | 179.1 | -165.1 | -179.6 | 167.1 | 0 | 0 | 110.4 | L331 K334 G347 I353 | L331-E349 HydrophobicContact CD1-CB 4.39Å; L331-E349 HydrophobicContact CD1-CG 3.83Å; K334-E349 IonicContact NZ-OE1 3.41Å; K334-E349 PolarHBondContact NZ-OE1 2.92Å; K334-E349 VanDerWaalsContact NZ-OE1 3.15Å; K334-E349 IonicContact NZ-OE2 3.57Å; G347-E349 PolarHBondContact O-N 3.5Å; E349-I353 HydrophobicContact CG-CD1 4.3Å; E349-I353 WeakPolarHBondContact O-CD1 3.5Å; E349-I353 WeakPolarHBondContact O-CG1 3.34Å; E349-I353 PolarHBondContact O-N 3.4Å |
| 350 | G | 75.5 | Confident | 71.5 | Confident | 20 Ų | 20 | 97.9 Ų | 97.9 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -66 | -48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q352 I353 D354 | G350-Q352 VanDerWaalsContact C-N 3.33Å; G350-Q352 PolarHBondContact O-N 3.05Å; G350-I353 PolarHBondContact O-N 3.31Å; G350-I353 VanDerWaalsContact O-N 3.16Å; G350-D354 PolarHBondContact O-N 3.43Å |
| 351 | E | 80.3 | Confident | 73.2 | Confident | 136 Ų | 136 | 99.4 Ų | 99.4 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -38.6 | 178.9 | -71.6 | 177 | -179.9 | 0 | 0 | 112.6 | G347 D354 L355 | G347-E351 PolarHBondContact O-N 3.42Å; E351-D354 PolarHBondContact O-N 3.14Å; E351-L355 WeakPolarHBondContact O-CB 3.45Å; E351-L355 WeakPolarHBondContact O-CG 3.33Å; E351-L355 PolarHBondContact O-N 2.88Å |
| 352 | Q | 84.4 | Confident | 74.9 | Confident | 130 Ų | 130 | 97 Ų | 97 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -39.4 | 175.5 | -80.4 | 174.6 | 77.2 | 0 | 0 | 112.5 | S348 G350 R356 | S348-Q352 WeakPolarHBondContact O-CB 3.16Å; S348-Q352 VanDerWaalsContact O-CG 3.25Å; S348-Q352 WeakPolarHBondContact O-CG 3.46Å; S348-Q352 PolarHBondContact O-N 3.3Å; S348-Q352 PolarHBondContact O-NE2 3.16Å; G350-Q352 VanDerWaalsContact C-N 3.33Å; G350-Q352 PolarHBondContact O-N 3.05Å; Q352-R356 WeakPolarHBondContact O-CB 3.46Å; Q352-R356 PolarHBondContact O-N 3.45Å |
| 353 | I | 82.9 | Confident | 76.7 | Confident | 14 Ų | 14 | 92.5 Ų | 92.5 | 7% | 0.072 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.2 | -68.8 | 164.9 | 0 | 0 | 0 | 110 | L327 V328 L331 E349 G350 R356 I357 | L327-I353 HydrophobicContact CB-CD1 4.13Å; L327-I353 HydrophobicContact CB-CG1 4.26Å; V328-I353 HydrophobicContact CG2-CG2 3.52Å; L331-I353 HydrophobicContact CD1-CD1 3.82Å; L331-I353 HydrophobicContact CD2-CD1 4.43Å; E349-I353 HydrophobicContact CG-CD1 4.3Å; E349-I353 WeakPolarHBondContact O-CD1 3.5Å; E349-I353 WeakPolarHBondContact O-CG1 3.34Å; E349-I353 PolarHBondContact O-N 3.4Å; G350-I353 PolarHBondContact O-N 3.31Å; G350-I353 VanDerWaalsContact O-N 3.16Å; I353-R356 PolarHBondContact O-N 3.19Å; I353-I357 HydrophobicContact CG2-CD1 3.74Å; I353-I357 HydrophobicContact CG2-CG1 4.43Å; I353-I357 VanDerWaalsContact O-CG1 3.27Å; I353-I357 WeakPolarHBondContact O-CG1 3.35Å; I353-I357 PolarHBondContact O-N 3.35Å |
| 354 | D | 85.7 | Confident | 78.5 | Confident | 101 Ų | 101 | 84.2 Ų | 84.2 | 54% | 0.54 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -45 | 179 | -72.8 | -21.3 | 0 | 0 | 0 | 111.9 | G350 E351 R356 I357 V358 | G350-D354 PolarHBondContact O-N 3.43Å; E351-D354 PolarHBondContact O-N 3.14Å; D354-R356 VanDerWaalsContact C-N 3.32Å; D354-R356 PolarHBondContact O-N 2.89Å; D354-I357 PolarHBondContact O-N 3.14Å; D354-V358 WeakPolarHBondContact O-CG2 3.43Å; D354-V358 PolarHBondContact O-N 2.98Å |
| 355 | L | 89.6 | Confident | 80.4 | Confident | 127 Ų | 127 | 83.8 Ų | 83.8 | 67% | 0.665 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 173.8 | -74.2 | 172.7 | 0 | 0 | 0 | 111.9 | E351 I357 V358 H359 | E351-L355 WeakPolarHBondContact O-CB 3.45Å; E351-L355 WeakPolarHBondContact O-CG 3.33Å; E351-L355 PolarHBondContact O-N 2.88Å; L355-I357 PolarHBondContact O-N 3.43Å; L355-V358 PolarHBondContact O-N 2.96Å; L355-H359 WeakPolarHBondContact O-CB 3.33Å; L355-H359 PolarHBondContact O-N 3.2Å |
| 356 | R | 88.3 | Confident | 82.1 | Confident | 86 Ų | 86 | 82.1 Ų | 82.1 | 33% | 0.325 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.6 | -169.2 | 172.3 | -177 | -168.8 | -5.9 | 111.5 | E320 E323 Q352 I353 D354 H359 L360 | E320-R356 IonicContact OE1-NE 2.92Å; E320-R356 IonicContact OE1-NH2 2.82Å; E323-R356 IonicContact OE2-NH2 2.99Å; E323-R356 PolarHBondContact OE2-NH2 3.08Å; Q352-R356 WeakPolarHBondContact O-CB 3.46Å; Q352-R356 PolarHBondContact O-N 3.45Å; I353-R356 PolarHBondContact O-N 3.19Å; D354-R356 VanDerWaalsContact C-N 3.32Å; D354-R356 PolarHBondContact O-N 2.89Å; R356-H359 PolarHBondContact O-N 3.43Å; R356-L360 HydrophobicContact CG-CD1 4.07Å; R356-L360 VanDerWaalsContact O-CB 3.28Å; R356-L360 WeakPolarHBondContact O-CB 3.36Å; R356-L360 WeakPolarHBondContact O-CG 3.39Å; R356-L360 PolarHBondContact O-N 2.78Å |
| 357 | I | 87 | Confident | 84 | Confident | 46 Ų | 46 | 75.9 Ų | 75.9 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 177.2 | -68.4 | 163.1 | 0 | 0 | 0 | 111.3 | A324 V328 I353 D354 L355 L360 K361 | A324-I357 HydrophobicContact CB-CG1 4.21Å; V328-I357 HydrophobicContact CG2-CD1 3.46Å; V328-I357 VanDerWaalsContact CG2-CD1 3.46Å; I353-I357 HydrophobicContact CG2-CD1 3.74Å; I353-I357 HydrophobicContact CG2-CG1 4.43Å; I353-I357 VanDerWaalsContact O-CG1 3.27Å; I353-I357 WeakPolarHBondContact O-CG1 3.35Å; I353-I357 PolarHBondContact O-N 3.35Å; D354-I357 PolarHBondContact O-N 3.14Å; L355-I357 PolarHBondContact O-N 3.43Å; I357-L360 PolarHBondContact O-N 3.13Å; I357-K361 HydrophobicContact CG2-CD 4.38Å; I357-K361 WeakPolarHBondContact O-CG 3.35Å; I357-K361 PolarHBondContact O-N 3.33Å |
| 358 | V | 88.9 | Confident | 85.5 | Confident | 94 Ų | 94 | 76.1 Ų | 76.1 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.4 | -47.2 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | D354 L355 L360 K361 Q362 | D354-V358 WeakPolarHBondContact O-CG2 3.43Å; D354-V358 PolarHBondContact O-N 2.98Å; L355-V358 PolarHBondContact O-N 2.96Å; V358-L360 VanDerWaalsContact C-N 3.34Å; V358-L360 PolarHBondContact O-N 3.01Å; V358-K361 PolarHBondContact O-N 2.99Å; V358-Q362 PolarHBondContact O-N 3.33Å |
| 359 | H | 90 | Very high | 86.4 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 176.7 | -178.4 | -100.9 | 0 | 0 | 0 | 111.8 | L355 R356 K361 Q362 K363 | L355-H359 WeakPolarHBondContact O-CB 3.33Å; L355-H359 PolarHBondContact O-N 3.2Å; R356-H359 PolarHBondContact O-N 3.43Å; H359-K361 PolarHBondContact O-N 2.84Å; H359-Q362 PolarHBondContact O-N 3.06Å; H359-K363 WeakPolarHBondContact O-CB 3.48Å; H359-K363 PolarHBondContact O-N 2.75Å |
| 360 | L | 89.3 | Confident | 87.2 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.3 | -80.9 | 170.9 | 0 | 0 | 0 | 113.3 | E320 M321 A324 R356 I357 V358 K363 M364 | E320-L360 HydrophobicContact CB-CD2 3.66Å; E320-L360 HydrophobicContact CG-CD1 4.28Å; E320-L360 HydrophobicContact CG-CD2 3.62Å; E320-L360 HydrophobicContact CG-CG 4.46Å; M321-L360 HydrophobicContact CG-CB 4.26Å; A324-L360 HydrophobicContact CB-CD1 3.56Å; R356-L360 HydrophobicContact CG-CD1 4.07Å; R356-L360 VanDerWaalsContact O-CB 3.28Å; R356-L360 WeakPolarHBondContact O-CB 3.36Å; R356-L360 WeakPolarHBondContact O-CG 3.39Å; R356-L360 PolarHBondContact O-N 2.78Å; I357-L360 PolarHBondContact O-N 3.13Å; V358-L360 VanDerWaalsContact C-N 3.34Å; V358-L360 PolarHBondContact O-N 3.01Å; L360-K363 PolarHBondContact O-N 2.73Å; L360-M364 WeakPolarHBondContact O-CB 3.28Å; L360-M364 PolarHBondContact O-N 3.46Å |
| 361 | K | 88.6 | Confident | 87.8 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.3 | -78 | -178.5 | 173.8 | -174 | 0 | 111.3 | M321 I357 V358 H359 M364 Q365 | M321-K361 HydrophobicContact CE-CG 4.28Å; I357-K361 HydrophobicContact CG2-CD 4.38Å; I357-K361 WeakPolarHBondContact O-CG 3.35Å; I357-K361 PolarHBondContact O-N 3.33Å; V358-K361 PolarHBondContact O-N 2.99Å; H359-K361 PolarHBondContact O-N 2.84Å; K361-M364 PolarHBondContact O-N 2.66Å; K361-Q365 WeakPolarHBondContact O-CB 3.49Å; K361-Q365 PolarHBondContact O-N 3.46Å |
| 362 | Q | 91.3 | Very high | 88.2 | Confident | 132 Ų | 132 | 77.2 Ų | 77.2 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 175.6 | -175.3 | 178.7 | -4.7 | 0 | 0 | 111.7 | V358 H359 M364 Q365 S366 | V358-Q362 PolarHBondContact O-N 3.33Å; H359-Q362 PolarHBondContact O-N 3.06Å; Q362-M364 PolarHBondContact O-N 2.67Å; Q362-Q365 PolarHBondContact O-N 2.86Å; Q362-S366 PolarHBondContact O-N 3.43Å |
| 363 | K | 90 | Very high | 88.5 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.5 | -161.4 | -175.7 | -177.4 | -151.6 | 0 | 111.5 | N317 E320 H359 L360 S366 T367 | N317-K363 WeakPolarHBondContact OD1-CD 3.41Å; N317-K363 WeakPolarHBondContact OD1-CE 3.31Å; N317-K363 PolarHBondContact OD1-NZ 2.99Å; E320-K363 IonicContact OE2-NZ 3.29Å; E320-K363 PolarHBondContact OE2-NZ 3.38Å; H359-K363 WeakPolarHBondContact O-CB 3.48Å; H359-K363 PolarHBondContact O-N 2.75Å; L360-K363 PolarHBondContact O-N 2.73Å; K363-S366 WeakPolarHBondContact O-CB 3.42Å; K363-S366 PolarHBondContact O-N 3.37Å; K363-T367 PolarHBondContact O-N 3.22Å; K363-T367 PolarHBondContact O-OG1 3.36Å |
| 364 | M | 86.4 | Confident | 88.8 | Confident | 40 Ų | 40 | 75 Ų | 75 | 20% | 0.197 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.2 | -170.5 | 63.1 | 71.5 | 0 | 0 | 112.4 | N317 L318 M321 L360 K361 Q362 S366 T367 A368 | N317-M364 HydrophobicContact CB-CE 3.63Å; N317-M364 HydrophobicContact CB-SD 4.28Å; L318-M364 HydrophobicContact CD2-CE 3.69Å; L318-M364 HydrophobicContact CG-CE 3.93Å; M321-M364 HydrophobicContact CE-CB 3.59Å; M321-M364 HydrophobicContact CE-CE 4.07Å; M321-M364 HydrophobicContact CE-CG 3.94Å; M321-M364 HydrophobicContact CG-CE 4.27Å; M321-M364 HydrophobicContact SD-CE 3.5Å; M321-M364 VanDerWaalsContact SD-CE 3.5Å; M321-M364 HydrophobicContact SD-CG 4.43Å; L360-M364 WeakPolarHBondContact O-CB 3.28Å; L360-M364 PolarHBondContact O-N 3.46Å; K361-M364 PolarHBondContact O-N 2.66Å; Q362-M364 PolarHBondContact O-N 2.67Å; M364-S366 VanDerWaalsContact C-N 3.33Å; M364-S366 PolarHBondContact O-N 3.46Å; M364-T367 VanDerWaalsContact CA-OG1 3.31Å; M364-T367 WeakPolarHBondContact CA-OG1 2.94Å; M364-T367 PolarHBondContact O-N 2.84Å; M364-T367 PolarHBondContact O-OG1 3.15Å; M364-A368 PolarHBondContact O-N 3.2Å |
| 365 | Q | 90 | Very high | 88.9 | Confident | 113 Ų | 113 | 74.6 Ų | 74.6 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 175.2 | -173.8 | 178.7 | 2.9 | 0 | 0 | 111.2 | K361 Q362 T367 A368 L369 | K361-Q365 WeakPolarHBondContact O-CB 3.49Å; K361-Q365 PolarHBondContact O-N 3.46Å; Q362-Q365 PolarHBondContact O-N 2.86Å; Q365-T367 PolarHBondContact O-N 3.2Å; Q365-A368 PolarHBondContact O-N 3.37Å; Q365-L369 WeakPolarHBondContact O-CG 3.37Å; Q365-L369 PolarHBondContact O-N 3.24Å |
| 366 | S | 88.9 | Confident | 88.9 | Confident | 72 Ų | 72 | 73.2 Ų | 73.2 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 174.4 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | Q362 K363 M364 A368 L369 S370 | Q362-S366 PolarHBondContact O-N 3.43Å; K363-S366 WeakPolarHBondContact O-CB 3.42Å; K363-S366 PolarHBondContact O-N 3.37Å; M364-S366 VanDerWaalsContact C-N 3.33Å; M364-S366 PolarHBondContact O-N 3.46Å; S366-A368 VanDerWaalsContact C-N 3.34Å; S366-A368 PolarHBondContact O-N 2.78Å; S366-L369 PolarHBondContact O-N 3.31Å; S366-S370 WeakPolarHBondContact O-CB 3.33Å; S366-S370 PolarHBondContact O-N 2.83Å |
| 367 | T | 87.4 | Confident | 89 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 9% | 0.086 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 175.7 | 44 | 0 | 0 | 0 | 0 | 113.6 | E313 N317 K363 M364 Q365 S370 L371 | E313-T367 HydrophobicContact CB-CG2 4.35Å; E313-T367 HydrophobicContact CG-CG2 3.64Å; E313-T367 VanDerWaalsContact OE1-CG2 3.26Å; E313-T367 WeakPolarHBondContact OE1-CG2 3.28Å; N317-T367 WeakPolarHBondContact ND2-CG2 3.36Å; N317-T367 PolarHBondContact ND2-OG1 2.85Å; K363-T367 PolarHBondContact O-N 3.22Å; K363-T367 PolarHBondContact O-OG1 3.36Å; M364-T367 VanDerWaalsContact CA-OG1 3.31Å; M364-T367 WeakPolarHBondContact CA-OG1 2.94Å; M364-T367 PolarHBondContact O-N 2.84Å; M364-T367 PolarHBondContact O-OG1 3.15Å; Q365-T367 PolarHBondContact O-N 3.2Å; T367-S370 PolarHBondContact O-N 3.15Å; T367-L371 WeakPolarHBondContact O-CB 3.36Å; T367-L371 PolarHBondContact O-N 2.99Å |
| 368 | A | 88.4 | Confident | 89.1 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M364 Q365 S366 S370 L371 E372 | M364-A368 PolarHBondContact O-N 3.2Å; Q365-A368 PolarHBondContact O-N 3.37Å; S366-A368 VanDerWaalsContact C-N 3.34Å; S366-A368 PolarHBondContact O-N 2.78Å; A368-S370 PolarHBondContact O-N 3.46Å; A368-L371 PolarHBondContact O-N 2.96Å; A368-E372 PolarHBondContact O-N 3.35Å |
| 369 | L | 89.7 | Confident | 89 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.4 | -40.3 | 175.1 | -68.5 | 174.7 | 0 | 0 | 0 | 112.2 | Q365 S366 L371 E372 E373 | Q365-L369 WeakPolarHBondContact O-CG 3.37Å; Q365-L369 PolarHBondContact O-N 3.24Å; S366-L369 PolarHBondContact O-N 3.31Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.42Å; L369-E372 PolarHBondContact O-N 3.35Å; L369-E373 WeakPolarHBondContact O-CB 2.9Å; L369-E373 PolarHBondContact O-N 3.14Å |
| 370 | S | 88.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 28% | 0.28 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | 176.7 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | L310 S366 T367 A368 H374 | L310-S370 WeakPolarHBondContact CD2-OG 3.48Å; S366-S370 WeakPolarHBondContact O-CB 3.33Å; S366-S370 PolarHBondContact O-N 2.83Å; T367-S370 PolarHBondContact O-N 3.15Å; A368-S370 PolarHBondContact O-N 3.46Å; S370-H374 WeakPolarHBondContact O-CB 3.27Å; S370-H374 PolarHBondContact O-N 3.36Å |
| 371 | L | 87.6 | Confident | 88.7 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.9 | -39.2 | 176.1 | -168.3 | 118 | 0 | 0 | 0 | 111.5 | T367 A368 L369 H375 | T367-L371 WeakPolarHBondContact O-CB 3.36Å; T367-L371 PolarHBondContact O-N 2.99Å; A368-L371 PolarHBondContact O-N 2.96Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.42Å; L371-H375 PolarHBondContact O-N 3.32Å |
| 372 | E | 88.9 | Confident | 88.6 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -47.5 | 175.3 | -176.9 | 57.6 | -149.4 | 0 | 0 | 111.7 | A368 L369 H374 H375 Q376 | A368-E372 PolarHBondContact O-N 3.35Å; L369-E372 PolarHBondContact O-N 3.35Å; E372-H374 VanDerWaalsContact C-N 3.28Å; E372-H374 PolarHBondContact O-N 3.06Å; E372-H375 PolarHBondContact O-N 3.41Å; E372-Q376 WeakPolarHBondContact O-CG 3.35Å; E372-Q376 PolarHBondContact O-N 2.88Å; E372-Q376 PolarHBondContact OE1-NE2 2.95Å |
| 373 | E | 90.7 | Very high | 88.3 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.4 | -45.7 | 174.2 | -178 | -78.2 | 149.5 | 0 | 0 | 110.9 | L369 H375 Q376 R377 | L369-E373 WeakPolarHBondContact O-CB 2.9Å; L369-E373 PolarHBondContact O-N 3.14Å; E373-H375 PolarHBondContact O-N 3.07Å; E373-Q376 PolarHBondContact O-N 3.18Å; E373-R377 VanDerWaalsContact O-CB 3.29Å; E373-R377 WeakPolarHBondContact O-CB 3.3Å; E373-R377 PolarHBondContact O-N 3.36Å; E373-R377 WeakPolarHBondContact OE1-CD 3.4Å; E373-R377 IonicContact OE1-CZ 3.75Å; E373-R377 IonicContact OE1-NE 3.94Å; E373-R377 PolarHBondContact OE1-NE 2.95Å; E373-R377 IonicContact OE2-CZ 3.49Å; E373-R377 IonicContact OE2-NE 3.93Å; E373-R377 IonicContact OE2-NH2 3.51Å; E373-R377 PolarHBondContact OE2-NH2 2.85Å |
| 374 | H | 89.3 | Confident | 88 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.046 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 176.9 | 173.4 | -82.6 | 0 | 0 | 0 | 111.5 | Y303 E306 V307 L310 S370 E372 Q376 R377 W378 | Y303-H374 AromaticContact CD2-CE1 3.87Å; Y303-H374 AromaticContact CE2-CE1 3.6Å; E306-H374 VanDerWaalsContact CG-CD2 3.43Å; E306-H374 WeakPolarHBondContact CG-CD2 3.43Å; E306-H374 IonicContact OE1-CD2 2.95Å; E306-H374 IonicContact OE2-CD2 3.94Å; E306-H374 PolarHBondContact OE2-CD2 2.99Å; E306-H374 IonicContact OE2-NE2 3.3Å; V307-H374 WeakPolarHBondContact CG2-CE1 3.44Å; L310-H374 HydrophobicContact CD1-CB 3.49Å; L310-H374 VanDerWaalsContact CD1-CB 3.49Å; L310-H374 WeakPolarHBondContact CD1-CD2 3.37Å; S370-H374 WeakPolarHBondContact O-CB 3.27Å; S370-H374 PolarHBondContact O-N 3.36Å; E372-H374 VanDerWaalsContact C-N 3.28Å; E372-H374 PolarHBondContact O-N 3.06Å; H374-Q376 PolarHBondContact O-N 2.87Å; H374-R377 PolarHBondContact O-N 3.04Å; H374-W378 AromaticContact CD2-CD1 3.44Å; H374-W378 VanDerWaalsContact CD2-CD1 3.44Å; H374-W378 AromaticContact CD2-NE1 3.46Å; H374-W378 PolarHBondContact CD2-NE1 2.93Å; H374-W378 AromaticContact CE1-CD1 3.22Å; H374-W378 AromaticContact CE1-NE1 3.59Å; H374-W378 AromaticContact CG-CD1 3.72Å; H374-W378 AromaticContact ND1-CD1 3.59Å; H374-W378 AromaticContact NE2-CD1 3.15Å; H374-W378 AromaticContact NE2-NE1 3.04Å; H374-W378 PolarHBondContact NE2-NE1 2.85Å; H374-W378 WeakPolarHBondContact O-CB 3.01Å; H374-W378 PolarHBondContact O-N 2.84Å |
| 375 | H | 87.3 | Confident | 87.9 | Confident | 93 Ų | 93 | 71.6 Ų | 71.6 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 178.2 | -177.7 | 65.4 | 0 | 0 | 0 | 111.6 | L371 E372 E373 W378 A379 | L371-H375 PolarHBondContact O-N 3.32Å; E372-H375 PolarHBondContact O-N 3.41Å; E373-H375 PolarHBondContact O-N 3.07Å; H375-W378 PolarHBondContact O-N 2.72Å; H375-A379 WeakPolarHBondContact O-CB 3.42Å; H375-A379 PolarHBondContact O-N 3.13Å |
| 376 | Q | 89.7 | Confident | 87.2 | Confident | 98 Ų | 98 | 69.7 Ų | 69.7 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 178 | -69.8 | 177.4 | 5 | 0 | 0 | 112.3 | E372 E373 H374 W378 A379 Q380 | E372-Q376 WeakPolarHBondContact O-CG 3.35Å; E372-Q376 PolarHBondContact O-N 2.88Å; E372-Q376 PolarHBondContact OE1-NE2 2.95Å; E373-Q376 PolarHBondContact O-N 3.18Å; H374-Q376 PolarHBondContact O-N 2.87Å; Q376-W378 PolarHBondContact O-N 3.28Å; Q376-A379 PolarHBondContact O-N 2.84Å; Q376-Q380 VanDerWaalsContact O-CG 3.31Å; Q376-Q380 WeakPolarHBondContact O-CG 3.48Å; Q376-Q380 PolarHBondContact O-N 2.85Å |
| 377 | R | 91.4 | Very high | 86.7 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 25% | 0.245 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.6 | 174.7 | 167.9 | 47.3 | 83.2 | 2.1 | 111.4 | E306 E373 H374 Q380 I381 | E306-R377 VanDerWaalsContact CD-NH2 3.28Å; E306-R377 IonicContact OE1-CZ 2.67Å; E306-R377 IonicContact OE1-NH1 2.9Å; E306-R377 IonicContact OE1-NH2 3.23Å; E306-R377 PolarHBondContact OE1-NH2 3.05Å; E306-R377 IonicContact OE2-CZ 3.93Å; E306-R377 IonicContact OE2-NH1 3.51Å; E306-R377 PolarHBondContact OE2-NH1 3.4Å; E306-R377 IonicContact OE2-NH2 2.68Å; E306-R377 PolarHBondContact OE2-NH2 3.37Å; E373-R377 VanDerWaalsContact O-CB 3.29Å; E373-R377 WeakPolarHBondContact O-CB 3.3Å; E373-R377 PolarHBondContact O-N 3.36Å; E373-R377 WeakPolarHBondContact OE1-CD 3.4Å; E373-R377 IonicContact OE1-CZ 3.75Å; E373-R377 IonicContact OE1-NE 3.94Å; E373-R377 PolarHBondContact OE1-NE 2.95Å; E373-R377 IonicContact OE2-CZ 3.49Å; E373-R377 IonicContact OE2-NE 3.93Å; E373-R377 IonicContact OE2-NH2 3.51Å; E373-R377 PolarHBondContact OE2-NH2 2.85Å; H374-R377 PolarHBondContact O-N 3.04Å; R377-Q380 PolarHBondContact O-N 3.47Å; R377-I381 HydrophobicContact CG-CD1 3.91Å; R377-I381 VanDerWaalsContact O-CG1 3.25Å; R377-I381 WeakPolarHBondContact O-CG1 3.48Å; R377-I381 PolarHBondContact O-N 3Å |
| 378 | W | 89.2 | Confident | 86.2 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 2% | 0.019 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 177.5 | -81 | 106.4 | 0 | 0 | 0 | 112.9 | L299 T302 Y303 E306 H374 H375 Q376 Q380 I381 E382 V389 | L299-W378 HydrophobicContact CB-CZ3 4.26Å; L299-W378 HydrophobicContact CD2-CH2 4.19Å; L299-W378 HydrophobicContact CD2-CZ3 4.19Å; L299-W378 VanDerWaalsContact O-CH2 3.27Å; L299-W378 WeakPolarHBondContact O-CH2 3.39Å; T302-W378 WeakPolarHBondContact OG1-CH2 3.47Å; Y303-W378 HydrophobicContact CD2-CB 4.2Å; Y303-W378 AromaticContact CD2-CD1 3.76Å; Y303-W378 AromaticContact CD2-CD2 3.54Å; Y303-W378 HydrophobicContact CD2-CD2 3.54Å; Y303-W378 AromaticContact CD2-CE2 3.71Å; Y303-W378 HydrophobicContact CD2-CE3 4.11Å; Y303-W378 AromaticContact CD2-CG 3.57Å; Y303-W378 HydrophobicContact CD2-CG 3.57Å; Y303-W378 HydrophobicContact CD2-CZ2 4.36Å; Y303-W378 AromaticContact CD2-NE1 3.82Å; Y303-W378 HydrophobicContact CE2-CB 4.23Å; Y303-W378 HydrophobicContact CE2-CD2 4.41Å; Y303-W378 AromaticContact CE2-CG 4Å; Y303-W378 HydrophobicContact CE2-CG 4Å; Y303-W378 HydrophobicContact CG-CD2 4.34Å; Y303-W378 VanDerWaalsContact N-CZ2 3.35Å; E306-W378 PolarHBondContact OE2-NE1 3.42Å; H374-W378 AromaticContact CD2-CD1 3.44Å; H374-W378 VanDerWaalsContact CD2-CD1 3.44Å; H374-W378 AromaticContact CD2-NE1 3.46Å; H374-W378 PolarHBondContact CD2-NE1 2.93Å; H374-W378 AromaticContact CE1-CD1 3.22Å; H374-W378 AromaticContact CE1-NE1 3.59Å; H374-W378 AromaticContact CG-CD1 3.72Å; H374-W378 AromaticContact ND1-CD1 3.59Å; H374-W378 AromaticContact NE2-CD1 3.15Å; H374-W378 AromaticContact NE2-NE1 3.04Å; H374-W378 PolarHBondContact NE2-NE1 2.85Å; H374-W378 WeakPolarHBondContact O-CB 3.01Å; H374-W378 PolarHBondContact O-N 2.84Å; H375-W378 PolarHBondContact O-N 2.72Å; Q376-W378 PolarHBondContact O-N 3.28Å; W378-Q380 VanDerWaalsContact C-N 3.31Å; W378-Q380 PolarHBondContact O-N 3.1Å; W378-I381 HydrophobicContact CD2-CD1 4.08Å; W378-I381 HydrophobicContact CE3-CB 4.13Å; W378-I381 HydrophobicContact CE3-CD1 3.85Å; W378-I381 HydrophobicContact CE3-CG2 4.05Å; W378-I381 HydrophobicContact CH2-CD1 4.48Å; W378-I381 HydrophobicContact CZ3-CB 4.49Å; W378-I381 HydrophobicContact CZ3-CD1 4.04Å; W378-I381 HydrophobicContact CZ3-CG2 3.96Å; W378-I381 PolarHBondContact O-N 3.44Å; W378-E382 WeakPolarHBondContact O-CG 3.36Å; W378-E382 PolarHBondContact O-N 3.17Å; W378-V389 HydrophobicContact CE3-CB 4.39Å; W378-V389 HydrophobicContact CE3-CG1 4.06Å; W378-V389 HydrophobicContact CH2-CG1 4.42Å; W378-V389 HydrophobicContact CZ3-CB 4.31Å; W378-V389 HydrophobicContact CZ3-CG1 3.66Å; W378-V389 HydrophobicContact CZ3-CG2 4.39Å |
| 379 | A | 86.4 | Confident | 85.4 | Confident | 42 Ų | 42 | 67.8 Ų | 67.8 | 35% | 0.347 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | H375 Q376 E382 L383 | H375-A379 WeakPolarHBondContact O-CB 3.42Å; H375-A379 PolarHBondContact O-N 3.13Å; Q376-A379 PolarHBondContact O-N 2.84Å; A379-E382 PolarHBondContact O-N 3.5Å; A379-L383 WeakPolarHBondContact O-CB 3.46Å; A379-L383 PolarHBondContact O-N 3.2Å |
| 380 | Q | 86.1 | Confident | 84.1 | Confident | 123 Ų | 123 | 65.4 Ų | 65.4 | 58% | 0.575 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 173.6 | -72.1 | 174.7 | 25.3 | 0 | 0 | 112.4 | Q376 R377 W378 E382 L383 V384 | Q376-Q380 VanDerWaalsContact O-CG 3.31Å; Q376-Q380 WeakPolarHBondContact O-CG 3.48Å; Q376-Q380 PolarHBondContact O-N 2.85Å; R377-Q380 PolarHBondContact O-N 3.47Å; W378-Q380 VanDerWaalsContact C-N 3.31Å; W378-Q380 PolarHBondContact O-N 3.1Å; Q380-E382 VanDerWaalsContact C-N 3.34Å; Q380-L383 PolarHBondContact O-N 3.37Å; Q380-V384 WeakPolarHBondContact O-CG2 3.44Å; Q380-V384 PolarHBondContact O-N 3.39Å |
| 381 | I | 87.6 | Confident | 82.6 | Confident | 44 Ų | 44 | 67 Ų | 67 | 23% | 0.226 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.5 | -70.8 | 164.3 | 0 | 0 | 0 | 110.4 | L299 R377 W378 L383 V384 C385 | L299-I381 HydrophobicContact CD1-CG2 4.1Å; L299-I381 HydrophobicContact CD2-CG2 4.4Å; R377-I381 HydrophobicContact CG-CD1 3.91Å; R377-I381 VanDerWaalsContact O-CG1 3.25Å; R377-I381 WeakPolarHBondContact O-CG1 3.48Å; R377-I381 PolarHBondContact O-N 3Å; W378-I381 HydrophobicContact CD2-CD1 4.08Å; W378-I381 HydrophobicContact CE3-CB 4.13Å; W378-I381 HydrophobicContact CE3-CD1 3.85Å; W378-I381 HydrophobicContact CE3-CG2 4.05Å; W378-I381 HydrophobicContact CH2-CD1 4.48Å; W378-I381 HydrophobicContact CZ3-CB 4.49Å; W378-I381 HydrophobicContact CZ3-CD1 4.04Å; W378-I381 HydrophobicContact CZ3-CG2 3.96Å; W378-I381 PolarHBondContact O-N 3.44Å; I381-L383 VanDerWaalsContact C-N 3.33Å; I381-L383 PolarHBondContact O-N 2.92Å; I381-V384 PolarHBondContact O-N 3.1Å; I381-C385 VanDerWaalsContact O-CB 3.24Å; I381-C385 WeakPolarHBondContact O-CB 3.43Å; I381-C385 PolarHBondContact O-N 2.94Å; I381-C385 PolarHBondContact O-SG 3.05Å |
| 382 | E | 86 | Confident | 80.5 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 176 | -73.1 | -176.6 | 144.4 | 0 | 0 | 112.2 | W378 A379 Q380 C385 G386 V389 Q390 | W378-E382 WeakPolarHBondContact O-CG 3.36Å; W378-E382 PolarHBondContact O-N 3.17Å; A379-E382 PolarHBondContact O-N 3.5Å; Q380-E382 VanDerWaalsContact C-N 3.34Å; E382-C385 PolarHBondContact O-N 3.24Å; E382-G386 PolarHBondContact O-N 3.07Å; E382-V389 HydrophobicContact CG-CB 4.02Å; E382-V389 HydrophobicContact CG-CG2 4.02Å; E382-V389 PolarHBondContact OE1-N 3.3Å; E382-Q390 VanDerWaalsContact OE1-CB 3.23Å; E382-Q390 WeakPolarHBondContact OE1-CB 3.33Å; E382-Q390 WeakPolarHBondContact OE1-CG 3.47Å; E382-Q390 PolarHBondContact OE1-N 3.11Å; E382-Q390 PolarHBondContact OE2-NE2 3.2Å |
| 383 | L | 84.6 | Confident | 78 | Confident | 146 Ų | 146 | 67.3 Ų | 67.3 | 76% | 0.764 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 175.6 | -176 | 65.7 | 0 | 0 | 0 | 112.2 | A379 Q380 I381 | A379-L383 WeakPolarHBondContact O-CB 3.46Å; A379-L383 PolarHBondContact O-N 3.2Å; Q380-L383 PolarHBondContact O-N 3.37Å; I381-L383 VanDerWaalsContact C-N 3.33Å; I381-L383 PolarHBondContact O-N 2.92Å |
| 384 | V | 84.4 | Confident | 75.3 | Confident | 129 Ų | 129 | 67.9 Ų | 67.9 | 78% | 0.782 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -75 | -35 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 112.1 | Q380 I381 | Q380-V384 WeakPolarHBondContact O-CG2 3.44Å; Q380-V384 PolarHBondContact O-N 3.39Å; I381-V384 PolarHBondContact O-N 3.1Å |
| 385 | C | 82.8 | Confident | 72.8 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 27% | 0.27 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -84.3 | -22.7 | -177.2 | -65.4 | 0 | 0 | 0 | 0 | 113.4 | I381 E382 F387 | I381-C385 VanDerWaalsContact O-CB 3.24Å; I381-C385 WeakPolarHBondContact O-CB 3.43Å; I381-C385 PolarHBondContact O-N 2.94Å; I381-C385 PolarHBondContact O-SG 3.05Å; E382-C385 PolarHBondContact O-N 3.24Å; C385-F387 VanDerWaalsContact C-N 3.25Å; C385-F387 HydrophobicContact CB-CD1 4.06Å; C385-F387 HydrophobicContact CB-CD2 4.33Å; C385-F387 HydrophobicContact CB-CE1 3.63Å; C385-F387 HydrophobicContact CB-CE2 3.9Å; C385-F387 HydrophobicContact CB-CG 4.41Å; C385-F387 HydrophobicContact CB-CZ 3.55Å; C385-F387 WeakPolarHBondContact O-CD1 3.28Å; C385-F387 WeakPolarHBondContact O-CE1 3.44Å; C385-F387 PolarHBondContact O-N 3.04Å |
| 386 | G | 76 | Confident | 70.1 | Confident | 74 Ų | 74 | 74.3 Ų | 74.3 | 76% | 0.763 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 74.2 | 9.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E382 | E382-G386 PolarHBondContact O-N 3.07Š|
| 387 | F | 79.3 | Confident | 67.2 | Low | 23 Ų | 23 | 73 Ų | 73 | 10% | 0.101 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -133.1 | 146.8 | 173.7 | 51.5 | -102.1 | 0 | 0 | 0 | 110.5 | I292 L295 Q296 L299 C385 V389 | I292-F387 HydrophobicContact CG2-CD1 3.97Å; I292-F387 HydrophobicContact CG2-CE1 3.94Å; L295-F387 HydrophobicContact CD2-CZ 4.31Å; L295-F387 HydrophobicContact CG-CZ 4.27Å; Q296-F387 HydrophobicContact CB-CD2 3.82Å; Q296-F387 HydrophobicContact CB-CE1 4.46Å; Q296-F387 HydrophobicContact CB-CE2 3.58Å; Q296-F387 HydrophobicContact CB-CG 4.37Å; Q296-F387 HydrophobicContact CB-CZ 3.91Å; Q296-F387 HydrophobicContact CG-CD2 3.54Å; Q296-F387 HydrophobicContact CG-CE2 3.74Å; Q296-F387 HydrophobicContact CG-CG 4.21Å; L299-F387 HydrophobicContact CD1-CE2 3.96Å; L299-F387 HydrophobicContact CD1-CZ 3.92Å; C385-F387 VanDerWaalsContact C-N 3.25Å; C385-F387 HydrophobicContact CB-CD1 4.06Å; C385-F387 HydrophobicContact CB-CD2 4.33Å; C385-F387 HydrophobicContact CB-CE1 3.63Å; C385-F387 HydrophobicContact CB-CE2 3.9Å; C385-F387 HydrophobicContact CB-CG 4.41Å; C385-F387 HydrophobicContact CB-CZ 3.55Å; C385-F387 WeakPolarHBondContact O-CD1 3.28Å; C385-F387 WeakPolarHBondContact O-CE1 3.44Å; C385-F387 PolarHBondContact O-N 3.04Å; F387-V389 HydrophobicContact CD2-CG2 4.06Å; F387-V389 HydrophobicContact CE2-CG2 3.86Å; F387-V389 PolarHBondContact O-N 2.96Å |
| 388 | P | 76.8 | Confident | 64.2 | Low | 80 Ų | 80 | 75.1 Ų | 75.1 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | trans | -66.6 | 128.4 | 174.4 | 28.1 | -33.2 | 0 | 0 | 0 | 109.2 | Q296 T392 | Q296-P388 PolarHBondContact NE2-O 3.34Å; P388-T392 WeakPolarHBondContact O-CG2 3.24Å | ||
| 389 | V | 70.1 | Confident | 61.4 | Low | 3 Ų | 3 | 81.2 Ų | 81.2 | 2% | 0.018 | 56% | 0.556 | C | S | . | * | trans | -94.1 | -29.3 | 168.5 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | L299 A300 Y303 W378 E382 F387 G391 | L299-V389 VanDerWaalsContact C-CG1 3.49Å; L299-V389 HydrophobicContact CB-CG1 4.04Å; L299-V389 HydrophobicContact CB-CG2 4.04Å; L299-V389 HydrophobicContact CD1-CG2 4.39Å; L299-V389 WeakPolarHBondContact O-CG1 3.1Å; A300-V389 HydrophobicContact CB-CG1 4.44Å; Y303-V389 HydrophobicContact CG-CG1 4.42Å; W378-V389 HydrophobicContact CE3-CB 4.39Å; W378-V389 HydrophobicContact CE3-CG1 4.06Å; W378-V389 HydrophobicContact CH2-CG1 4.42Å; W378-V389 HydrophobicContact CZ3-CB 4.31Å; W378-V389 HydrophobicContact CZ3-CG1 3.66Å; W378-V389 HydrophobicContact CZ3-CG2 4.39Å; E382-V389 HydrophobicContact CG-CB 4.02Å; E382-V389 HydrophobicContact CG-CG2 4.02Å; E382-V389 PolarHBondContact OE1-N 3.3Å; F387-V389 HydrophobicContact CD2-CG2 4.06Å; F387-V389 HydrophobicContact CE2-CG2 3.86Å; F387-V389 PolarHBondContact O-N 2.96Å; V389-G391 PolarHBondContact O-N 3.41Å | ||
| 390 | Q | 64 | Low | 58.9 | Low | 67 Ų | 67 | 86.2 Ų | 86.2 | 31% | 0.313 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | 95.9 | 174.7 | -62.3 | 177.6 | 57.2 | 0 | 0 | 109.9 | Y303 E382 | Y303-Q390 HydrophobicContact CE1-CG 4.26Å; Y303-Q390 HydrophobicContact CE2-CG 4.01Å; E382-Q390 VanDerWaalsContact OE1-CB 3.23Å; E382-Q390 WeakPolarHBondContact OE1-CB 3.33Å; E382-Q390 WeakPolarHBondContact OE1-CG 3.47Å; E382-Q390 PolarHBondContact OE1-N 3.11Å; E382-Q390 PolarHBondContact OE2-NE2 3.2Å |
| 391 | G | 56.8 | Low | 56.4 | Low | 73 Ų | 73 | 87.8 Ų | 87.8 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.9 | 22.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | V389 S393 | V389-G391 PolarHBondContact O-N 3.41Å; G391-S393 PolarHBondContact O-N 3.23Å |
| 392 | T | 42.9 | Very low | 53.7 | Low | 63 Ų | 63 | 91.1 Ų | 91.1 | 39% | 0.387 | 61% | 0.614 | S | S | . | * | trans | -80.5 | 57.5 | 175.5 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | P388 | P388-T392 WeakPolarHBondContact O-CG2 3.24Š| ||
| 393 | S | 37.7 | Very low | 51 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | trans | -100.2 | 69.2 | 161.1 | -170.2 | 0 | 0 | 0 | 0 | 109.2 | G391 D395 | G391-S393 PolarHBondContact O-N 3.23Å; S393-D395 PolarHBondContact O-N 3.31Å | ||
| 394 | A | 34 | Very low | 48.4 | Very low | 98 Ų | 98 | 92.6 Ų | 92.6 | 81% | 0.81 | 65% | 0.647 | S | S | * | * | trans | -80.5 | 79.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 395 | D | 35.7 | Very low | 45.8 | Very low | 152 Ų | 152 | 90.8 Ų | 90.8 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -157.8 | 127.2 | 150.5 | -105.9 | -20.5 | 0 | 0 | 0 | 109.1 | S393 | S393-D395 PolarHBondContact O-N 3.31Š|
| 396 | G | 29.7 | Very low | 43.3 | Very low | 86 Ų | 86 | 95.1 Ų | 95.1 | 89% | 0.887 | 67% | 0.671 | S | S | * | * | trans | -65.8 | 135 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 397 | G | 29.7 | Very low | 41 | Very low | 71 Ų | 71 | 98.6 Ų | 98.6 | 73% | 0.732 | 67% | 0.671 | S | S | * | * | trans | 171.3 | 69.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 398 | S | 29.5 | Very low | 38.5 | Very low | 109 Ų | 109 | 102.3 Ų | 102.3 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | trans | 44 | 94.7 | 142.3 | -178 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 399 | C | 29.8 | Very low | 36.3 | Very low | 133 Ų | 133 | 104.9 Ų | 104.9 | 90% | 0.899 | 71% | 0.706 | S | S | * | * | -146.5 | 120.2 | 123.9 | 16.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 400 | I | 34.1 | Very low | 34.3 | Very low | 147 Ų | 147 | 110.3 Ų | 110.3 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -84.6 | 157.3 | -177.5 | -66.1 | -179 | 0 | 0 | 0 | 108.8 | ||||
| 401 | L | 33.8 | Very low | 32.6 | Very low | 156 Ų | 156 | 114 Ų | 114 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | 88.6 | 89.5 | 177.3 | -48.5 | 178.2 | 0 | 0 | 0 | 113.1 | ||||
| 402 | S | 29.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 54.6 | 96 | 38.5 | -150.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 403 | S | 29.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 116.9 Ų | 116.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 170.1 | 129.4 | 106.8 | -165.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 404 | A | 29.9 | Very low | 30.2 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 63.9 | 120.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 405 | A | 30.4 | Very low | 30.3 | Very low | 92 Ų | 92 | 122.3 Ų | 122.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -148.7 | 108.2 | 22.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 406 | T | 29.8 | Very low | 30.1 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -92.8 | 102.4 | 151.2 | -52.5 | 0 | 0 | 0 | 0 | 105.3 | P408 | T406-P408 HydrophobicContact CG2-CG 4.42Å; T406-P408 WeakPolarHBondContact O-CD 3.17Å | ||
| 407 | L | 28.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -92.6 | 106.8 | 152.4 | -77 | 175.2 | 0 | 0 | 0 | 106.2 | ||||
| 408 | P | 26.6 | Very low | 30.3 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -85.5 | 97.1 | 151.9 | 31.6 | -17.9 | 0 | 0 | 0 | 104.7 | T406 | T406-P408 HydrophobicContact CG2-CG 4.42Å; T406-P408 WeakPolarHBondContact O-CD 3.17Å | ||
| 409 | L | 30.4 | Very low | 30.4 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -152.6 | 94.5 | 173.6 | -129.9 | 75 | 0 | 0 | 0 | 111.1 | ||||
| 410 | T | 27.6 | Very low | 30.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | 14.9 | 111.6 | 129.2 | 40.9 | 0 | 0 | 0 | 0 | 114.6 | A412 | T410-A412 PolarHBondContact O-N 3.45Š| |||
| 411 | V | 27.8 | Very low | 30.7 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -66.2 | 83.9 | 162.9 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | S413 | V411-S413 PolarHBondContact O-N 3.21Š| ||
| 412 | A | 29.1 | Very low | 30.9 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -82.8 | 89.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | T410 S414 | T410-A412 PolarHBondContact O-N 3.45Å; A412-S414 PolarHBondContact O-N 3.49Å | ||
| 413 | S | 29.2 | Very low | 31 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -79.3 | 90.7 | 168.3 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | V411 | V411-S413 PolarHBondContact O-N 3.21Š| ||
| 414 | S | 29.9 | Very low | 31.3 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | trans | -151.5 | 96.9 | 167.9 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | A412 | A412-S414 PolarHBondContact O-N 3.49Š| ||
| 415 | Y | 35.6 | Very low | 31.5 | Very low | 239 Ų | 239 | 127.4 Ų | 127.4 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | trans | -150.2 | 107.2 | 137.6 | -82 | -70.2 | 0 | 0 | 0 | 109.3 | ||||
| 416 | L | 32.2 | Very low | 31.7 | Very low | 183 Ų | 183 | 127.3 Ų | 127.3 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | trans | -51.2 | 136.3 | 161.2 | -85.8 | 140.1 | 0 | 0 | 0 | 111.2 | ||||
| 417 | G | 31.1 | Very low | 32.1 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -169.4 | 50.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 418 | R | 31.5 | Very low | 32.3 | Very low | 239 Ų | 239 | 131.8 Ų | 131.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | 49.3 | 104.6 | 138.8 | -160.9 | 170.8 | -165 | 160.5 | 3.6 | 121.3 | ||||
| 419 | A | 32.9 | Very low | 32.8 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 66.9 | 165.8 | 125.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 420 | P | 36.5 | Very low | 33 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -129.5 | 169.8 | -17.1 | 23 | 0.8 | 0 | 0 | 0 | 115.6 | ||||
| 421 | V | 33.3 | Very low | 33.3 | Very low | 119 Ų | 119 | 134 Ų | 134 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -60.5 | 144.9 | 169 | 172.5 | 0 | 0 | 0 | 0 | 113.3 | T423 | V421-T423 WeakPolarHBondContact CG1-OG1 3.28Š| ||
| 422 | V | 37.9 | Very low | 33.7 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -128.9 | 125.6 | 149.2 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 423 | T | 30.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -102.7 | 138.4 | -176.2 | -29.6 | 0 | 0 | 0 | 0 | 109.9 | V421 | V421-T423 WeakPolarHBondContact CG1-OG1 3.28Š| ||
| 424 | A | 36.3 | Very low | 33.9 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -168.1 | 101.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 425 | A | 33.2 | Very low | 33.8 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | 61.4 | 104.7 | 82 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 426 | A | 35.1 | Very low | 33.6 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | 161.6 | 128.4 | 113.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 427 | K | 37.7 | Very low | 33.5 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | 80.1 | 108.5 | 141.3 | -70.3 | 175.7 | 178.1 | -173.8 | 0 | 121.5 | ||||
| 428 | Q | 33.4 | Very low | 33.7 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -72.7 | 177.3 | 146 | -58.1 | -175.8 | -43.9 | 0 | 0 | 111 | ||||
| 429 | P | 38 | Very low | 33.7 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -142.8 | 160 | 81 | 29.3 | -7.5 | 0 | 0 | 0 | 116.5 | |||||
| 430 | T | 33 | Very low | 33.9 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | trans | -60.5 | 156.2 | 171.4 | 47.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 431 | L | 35.7 | Very low | 33.7 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | -171.8 | 125.9 | 125 | -102.1 | 168.1 | 0 | 0 | 0 | 115.3 | |||||
| 432 | A | 35.5 | Very low | 33.5 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 59.7 | 120.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 433 | R | 28.7 | Very low | 33.3 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -78.9 | 146.4 | 165.4 | -175.6 | -175.1 | -138.9 | 153.4 | 3.2 | 111.3 | V435 | R433-V435 HydrophobicContact CG-CG2 4.45Š| ||
| 434 | K | 32.6 | Very low | 33.1 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -141.1 | 135.3 | 155.2 | -144.1 | 174 | -174.3 | -176.4 | 0 | 110.9 | ||||
| 435 | V | 29.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -106.1 | 136.5 | -176.4 | 169.2 | 0 | 0 | 0 | 0 | 108.9 | R433 | R433-V435 HydrophobicContact CG-CG2 4.45Š| ||
| 436 | L | 30.9 | Very low | 32.6 | Very low | 171 Ų | 171 | 149 Ų | 149 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -180 | 130.1 | 152.6 | -132.9 | 67.2 | 0 | 0 | 0 | 105.7 | ||||
| 437 | G | 29.1 | Very low | 32.6 | Very low | 61 Ų | 61 | 151 Ų | 151 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | cis | 107.1 | 81.3 | 17.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 438 | T | 36.7 | Very low | 32.5 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 95% | 0.945 | 81% | 0.806 | S | S | * | * | trans | -162.2 | 133.6 | 152 | 37.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 439 | A | 31 | Very low | 32.4 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -102.6 | 150.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 440 | T | 36.1 | Very low | 32.2 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | -178.1 | 131.9 | 125.9 | 10.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 441 | Q | 33.7 | Very low | 31.9 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 78% | 0.78 | 83% | 0.829 | S | S | * | * | trans | 32 | 148.9 | 132.6 | -69.4 | -164.5 | 9.5 | 0 | 0 | 120.2 | ||||
| 442 | L | 29.1 | Very low | 31.6 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 65% | 0.654 | 83% | 0.83 | S | S | * | * | cis | -176.2 | 149.2 | 8.1 | -110.5 | 167.5 | 0 | 0 | 0 | 103.9 | ||||
| 443 | Q | 32.6 | Very low | 31.2 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | 172.2 | 121.4 | 128.6 | -157.7 | 92.1 | -15.2 | 0 | 0 | 109.5 | |||||
| 444 | Q | 27 | Very low | 31.4 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -64.6 | 152.6 | 178.7 | -70 | 156.3 | -69.4 | 0 | 0 | 114 | ||||
| 445 | R | 30.9 | Very low | 31.3 | Very low | 257 Ų | 257 | 144 Ų | 144 | 97% | 0.97 | 83% | 0.825 | S | S | * | * | -153.3 | 133.6 | 124.7 | -111.4 | 175.5 | 179.5 | -168 | -0.8 | 112.4 | |||||
| 446 | S | 27.9 | Very low | 31.4 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -77.3 | 151.3 | -172.9 | 174.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 447 | C | 34.5 | Very low | 31.5 | Very low | 133 Ų | 133 | 146 Ų | 146 | 90% | 0.899 | 83% | 0.828 | S | S | * | * | 179.3 | 133.6 | 127.7 | -90.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 448 | G | 35.9 | Very low | 31.9 | Very low | 80 Ų | 80 | 150.7 Ų | 150.7 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | 122.9 | 86.9 | 154 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 449 | N | 31.5 | Very low | 31.7 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | -54.4 | 142.9 | 168.4 | -68.9 | -42.2 | 0 | 0 | 0 | 113.2 | ||||
| 450 | L | 33.9 | Very low | 31.9 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 95% | 0.948 | 84% | 0.839 | S | S | * | * | -176.9 | 112.8 | 127.1 | -91.7 | 164.4 | 0 | 0 | 0 | 108.6 | |||||
| 451 | K | 27.9 | Very low | 31.7 | Very low | 212 Ų | 212 | 152.2 Ų | 152.2 | 92% | 0.922 | 83% | 0.834 | S | S | * | * | trans | -110 | 133.8 | 172.3 | -87.4 | 177.4 | 172.3 | 178.7 | 0 | 108.4 | ||||
| 452 | S | 28 | Very low | 31.8 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -177.8 | 139.9 | 160.5 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 453 | A | 28.4 | Very low | 31.8 | Very low | 89 Ų | 89 | 155.3 Ų | 155.3 | 74% | 0.736 | 85% | 0.85 | S | S | * | * | cis | -169.4 | 109.6 | -17.5 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 454 | S | 31.4 | Very low | 31.8 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | trans | -158.3 | 19.2 | 174.3 | 67.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 455 | E | 30.9 | Very low | 32 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -137.3 | 71.8 | 178.3 | -77.8 | -171 | 149.5 | 0 | 0 | 111.5 | ||||
| 456 | V | 32.6 | Very low | 32 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -157 | 98.5 | 156 | -175.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 457 | F | 32 | Very low | 32 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -177.1 | 120.7 | 142.7 | -104.9 | -74.4 | 0 | 0 | 0 | 110.5 | ||
| 458 | L | 38.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | 80.3 | 68.8 | 160.9 | -53 | -179.6 | 0 | 0 | 0 | 118.8 | ||||
| 459 | Q | 31 | Very low | 31.5 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | trans | -107.8 | 117 | 141.8 | -170.4 | 171.5 | 16.2 | 0 | 0 | 107 | ||||
| 460 | N | 35.6 | Very low | 31.3 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | 137.6 | 119.4 | 159 | -69.5 | -23.9 | 0 | 0 | 0 | 112.4 | ||||
| 461 | G | 32.9 | Very low | 31 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 141.9 | 83.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 462 | L | 35.3 | Very low | 31 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | 67.1 | 103.5 | 131.9 | -68.8 | 156.3 | 0 | 0 | 0 | 121.2 | ||||
| 463 | Q | 30 | Very low | 31.2 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | 45.1 | 114.1 | 110.6 | -152.2 | 90.3 | 21.8 | 0 | 0 | 118.9 | |||||
| 464 | G | 31.2 | Very low | 31.1 | Very low | 72 Ų | 72 | 150.2 Ų | 150.2 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 147.5 | 106.3 | 147 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 465 | Y | 32.3 | Very low | 31 | Very low | 234 Ų | 234 | 153.5 Ų | 153.5 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | trans | 75.3 | 125.6 | 146.2 | -106.9 | -97.7 | 0 | 0 | 0 | 122.2 | ||||
| 466 | N | 29.5 | Very low | 30.8 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -33.9 | 147.7 | 158.9 | -69.7 | -24 | 0 | 0 | 0 | 112.5 | ||||
| 467 | D | 29.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | -179.2 | 154 | 56 | -142.8 | -8.4 | 0 | 0 | 0 | 108.7 | |||||
| 468 | R | 29.3 | Very low | 30.5 | Very low | 215 Ų | 215 | 147.2 Ų | 147.2 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | 70.4 | 126.7 | 159.6 | -62 | -178.4 | -170.9 | -134.4 | -0.9 | 121.8 | ||||
| 469 | S | 29.9 | Very low | 30.2 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 68.5 | 105.4 | 145 | 59.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 470 | G | 27.2 | Very low | 30.2 | Very low | 80 Ų | 80 | 144.6 Ų | 144.6 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 76.2 | 58.7 | 130.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 471 | V | 28.4 | Very low | 30.1 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -105.6 | 116.8 | 170.1 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 472 | W | 27 | Very low | 30.3 | Very low | 238 Ų | 238 | 146.1 Ų | 146.1 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -53.9 | 151.9 | 162.2 | -68.5 | 75.3 | 0 | 0 | 0 | 111.1 | ||||
| 473 | P | 32.7 | Very low | 30.5 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -136.7 | 122.2 | 143.4 | 20 | 1.4 | 0 | 0 | 0 | 114.1 | ||||
| 474 | T | 26 | Very low | 30.9 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -33.6 | 127.3 | 146.7 | 49.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 475 | Q | 28.6 | Very low | 31.5 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 164.3 | 119.5 | 149.7 | -100.8 | 165.8 | -24.3 | 0 | 0 | 106.7 | ||||
| 476 | G | 27.2 | Very low | 32.1 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | 108.2 | 80.1 | 63 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 477 | V | 31.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | -134.3 | 104.5 | 172.5 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | A479 | V477-A479 PolarHBondContact O-N 3.46Š| ||
| 478 | L | 26.5 | Very low | 33.2 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 94% | 0.937 | 74% | 0.741 | S | S | * | * | trans | -59.3 | 94.7 | 160.4 | -88.1 | 151.9 | 0 | 0 | 0 | 108.9 | ||||
| 479 | A | 33.6 | Very low | 33.9 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -88.2 | 124 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V477 S481 | V477-A479 PolarHBondContact O-N 3.46Å; A479-S481 PolarHBondContact O-N 2.92Å | ||
| 480 | R | 30.8 | Very low | 34.4 | Very low | 203 Ų | 203 | 132 Ų | 132 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -68.5 | 106 | -169.9 | -164.7 | -179.7 | -174 | 117.5 | -0.3 | 113 | E482 | R480-E482 VanDerWaalsContact C-N 3.32Å; R480-E482 PolarHBondContact O-N 3.49Å | ||
| 481 | S | 32.6 | Very low | 35.2 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 26.2 | 5.6 | 143.5 | -154.5 | 0 | 0 | 0 | 0 | 125.3 | A479 | A479-S481 PolarHBondContact O-N 2.92Š|
| 482 | E | 38.1 | Very low | 36 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -109.8 | -14.9 | 179.4 | -81.1 | 177 | 167.9 | 0 | 0 | 115 | R480 V484 | R480-E482 VanDerWaalsContact C-N 3.32Å; R480-E482 PolarHBondContact O-N 3.49Å; E482-V484 PolarHBondContact O-N 2.91Å |
| 483 | E | 38.6 | Very low | 36.9 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -2 | -179.6 | -70.4 | 175 | 164.8 | 0 | 0 | 114.6 | ||
| 484 | V | 39.7 | Very low | 37.4 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -16.2 | -174.3 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | E482 I488 | E482-V484 PolarHBondContact O-N 2.91Å; V484-I488 HydrophobicContact CG1-CD1 4.31Å; V484-I488 WeakPolarHBondContact O-CD1 3.37Å; V484-I488 VanDerWaalsContact O-CG1 3.3Å; V484-I488 WeakPolarHBondContact O-CG1 3.46Å |
| 485 | E | 42.9 | Very low | 38 | Very low | 160 Ų | 160 | 117.5 Ų | 117.5 | 75% | 0.748 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -31.4 | -179.7 | -63.3 | -147.4 | 159.1 | 0 | 0 | 113.7 | I488 | E485-I488 PolarHBondContact O-N 3.48Š|
| 486 | D | 44.1 | Very low | 38.6 | Very low | 132 Ų | 132 | 112 Ų | 112 | 71% | 0.706 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.4 | -30.4 | 180 | -76.5 | -20.7 | 0 | 0 | 0 | 113 | I488 S489 Y490 | D486-I488 VanDerWaalsContact C-N 3.25Å; D486-I488 PolarHBondContact O-N 3.15Å; D486-S489 PolarHBondContact O-N 2.95Å; D486-Y490 PolarHBondContact O-N 3.37Å |
| 487 | L | 41.6 | Very low | 39.1 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 69% | 0.686 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.7 | -22.6 | 175.4 | -69.4 | 170.6 | 0 | 0 | 0 | 112.8 | A491 | L487-A491 PolarHBondContact O-N 3.34Å |
| 488 | I | 42.3 | Very low | 39.5 | Very low | 83 Ų | 83 | 116.1 Ų | 116.1 | 43% | 0.426 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -81.9 | -29.7 | 178.6 | -64.7 | 170.2 | 0 | 0 | 0 | 111.4 | V484 E485 D486 T492 | V484-I488 HydrophobicContact CG1-CD1 4.31Å; V484-I488 WeakPolarHBondContact O-CD1 3.37Å; V484-I488 VanDerWaalsContact O-CG1 3.3Å; V484-I488 WeakPolarHBondContact O-CG1 3.46Å; E485-I488 PolarHBondContact O-N 3.48Å; D486-I488 VanDerWaalsContact C-N 3.25Å; D486-I488 PolarHBondContact O-N 3.15Å; I488-T492 PolarHBondContact O-N 3.34Å; I488-T492 PolarHBondContact O-OG1 3.24Å |
| 489 | S | 43.1 | Very low | 40.1 | Very low | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.6 | -44 | 174.1 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | D486 A491 T492 I493 | D486-S489 PolarHBondContact O-N 2.95Å; S489-A491 VanDerWaalsContact C-N 3.34Å; S489-A491 PolarHBondContact O-N 3.01Å; S489-T492 PolarHBondContact O-N 3.01Å; S489-I493 WeakPolarHBondContact O-CG1 3.33Å; S489-I493 PolarHBondContact O-N 3.28Å |
| 490 | Y | 40.6 | Very low | 40.2 | Very low | 171 Ų | 171 | 110.1 Ų | 110.1 | 67% | 0.671 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -30.6 | -179.9 | -154.7 | -97.3 | 0 | 0 | 0 | 113.2 | D486 N494 | D486-Y490 PolarHBondContact O-N 3.37Å; Y490-N494 VanDerWaalsContact CD1-ND2 3.35Å; Y490-N494 WeakPolarHBondContact CD1-ND2 3.45Å; Y490-N494 WeakPolarHBondContact CE1-ND2 3.39Å; Y490-N494 PolarHBondContact O-N 2.83Å; Y490-N494 PolarHBondContact O-ND2 3.03Å |
| 491 | A | 43.6 | Very low | 40.7 | Very low | 40 Ų | 40 | 105.4 Ų | 105.4 | 33% | 0.331 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -76.1 | -30.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L487 S489 H495 | L487-A491 PolarHBondContact O-N 3.34Å; S489-A491 VanDerWaalsContact C-N 3.34Å; S489-A491 PolarHBondContact O-N 3.01Å; A491-H495 WeakPolarHBondContact O-CB 3.23Å; A491-H495 PolarHBondContact O-N 3.39Å; A491-H495 VanDerWaalsContact O-N 3.13Å |
| 492 | T | 45.9 | Very low | 41 | Very low | 82 Ų | 82 | 106.6 Ų | 106.6 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.6 | -36.9 | 179.8 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | I488 S489 S496 | I488-T492 PolarHBondContact O-N 3.34Å; I488-T492 PolarHBondContact O-OG1 3.24Å; S489-T492 PolarHBondContact O-N 3.01Å; T492-S496 PolarHBondContact O-N 3.11Å |
| 493 | I | 45.3 | Very low | 40.9 | Very low | 103 Ų | 103 | 105.5 Ų | 105.5 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.4 | -37.6 | 178.7 | -62.4 | 167.4 | 0 | 0 | 0 | 111 | S489 S496 L497 | S489-I493 WeakPolarHBondContact O-CG1 3.33Å; S489-I493 PolarHBondContact O-N 3.28Å; I493-S496 WeakPolarHBondContact O-CB 3.15Å; I493-L497 PolarHBondContact O-N 3.31Å |
| 494 | N | 42.8 | Very low | 40.9 | Very low | 70 Ų | 70 | 105.9 Ų | 105.9 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -79.1 | -26.8 | 179.6 | -72.2 | -44.4 | 0 | 0 | 0 | 113.9 | Y490 L497 Y498 | Y490-N494 VanDerWaalsContact CD1-ND2 3.35Å; Y490-N494 WeakPolarHBondContact CD1-ND2 3.45Å; Y490-N494 WeakPolarHBondContact CE1-ND2 3.39Å; Y490-N494 PolarHBondContact O-N 2.83Å; Y490-N494 PolarHBondContact O-ND2 3.03Å; N494-L497 PolarHBondContact O-N 3.03Å; N494-Y498 PolarHBondContact O-N 2.9Å |
| 495 | H | 39.6 | Very low | 40.8 | Very low | 94 Ų | 94 | 107.2 Ų | 107.2 | 44% | 0.435 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74 | -27.4 | 173.4 | -167.8 | -74.7 | 0 | 0 | 0 | 112.7 | R322 A491 S499 | R322-H495 PolarHBondContact NH2-CD2 2.86Å; R322-H495 PolarHBondContact NH2-NE2 3.08Å; A491-H495 WeakPolarHBondContact O-CB 3.23Å; A491-H495 PolarHBondContact O-N 3.39Å; A491-H495 VanDerWaalsContact O-N 3.13Å; H495-S499 WeakPolarHBondContact O-CB 3.1Å; H495-S499 PolarHBondContact O-N 3.43Å; H495-S499 PolarHBondContact O-OG 2.86Å |
| 496 | S | 40.5 | Very low | 40.6 | Very low | 77 Ų | 77 | 108.2 Ų | 108.2 | 54% | 0.538 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.8 | -47.7 | 168.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | T492 I493 S499 S500 | T492-S496 PolarHBondContact O-N 3.11Å; I493-S496 WeakPolarHBondContact O-CB 3.15Å; S496-S499 PolarHBondContact O-N 2.8Å; S496-S499 PolarHBondContact O-OG 2.93Å; S496-S500 PolarHBondContact O-N 3.06Å; S496-S500 VanDerWaalsContact O-N 3.13Å |
| 497 | L | 38.5 | Very low | 40.2 | Very low | 105 Ų | 105 | 110 Ų | 110 | 55% | 0.55 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.2 | -35.4 | 179 | -74.9 | 162.3 | 0 | 0 | 0 | 113 | I493 N494 V501 | I493-L497 PolarHBondContact O-N 3.31Å; N494-L497 PolarHBondContact O-N 3.03Å; L497-V501 VanDerWaalsContact O-CG2 3.27Å; L497-V501 WeakPolarHBondContact O-CG2 3.45Å |
| 498 | Y | 39.5 | Very low | 39.8 | Very low | 180 Ų | 180 | 107.1 Ų | 107.1 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -77.5 | -26.8 | 177.3 | -117.1 | -93.9 | 0 | 0 | 0 | 114.2 | N494 | N494-Y498 PolarHBondContact O-N 2.9Å |
| 499 | S | 37.7 | Very low | 39.3 | Very low | 60 Ų | 60 | 113 Ų | 113 | 42% | 0.42 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76.5 | -34.1 | 173.1 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | H495 S496 V501 N502 | H495-S499 WeakPolarHBondContact O-CB 3.1Å; H495-S499 PolarHBondContact O-N 3.43Å; H495-S499 PolarHBondContact O-OG 2.86Å; S496-S499 PolarHBondContact O-N 2.8Å; S496-S499 PolarHBondContact O-OG 2.93Å; S499-V501 VanDerWaalsContact C-N 3.25Å; S499-V501 PolarHBondContact O-N 2.71Å; S499-N502 PolarHBondContact O-N 2.86Å |
| 500 | S | 36.8 | Very low | 38.9 | Very low | 73 Ų | 73 | 113.3 Ų | 113.3 | 51% | 0.51 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.7 | -21.1 | 178.6 | -167.2 | 0 | 0 | 0 | 0 | 113.6 | S496 | S496-S500 PolarHBondContact O-N 3.06Å; S496-S500 VanDerWaalsContact O-N 3.13Å |
| 501 | V | 41.3 | Very low | 38.4 | Very low | 104 Ų | 104 | 112.8 Ų | 112.8 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.9 | -18.9 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 112 | L497 S499 | L497-V501 VanDerWaalsContact O-CG2 3.27Å; L497-V501 WeakPolarHBondContact O-CG2 3.45Å; S499-V501 VanDerWaalsContact C-N 3.25Å; S499-V501 PolarHBondContact O-N 2.71Å |
| 502 | N | 38 | Very low | 37.7 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 65% | 0.647 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -93.5 | -12.8 | -179.7 | -83.9 | -10.4 | 0 | 0 | 0 | 115 | S499 | S499-N502 PolarHBondContact O-N 2.86Å |
| 503 | D | 37.4 | Very low | 37.1 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 78% | 0.775 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -2.1 | 173.4 | -87.2 | -34.5 | 0 | 0 | 0 | 113.8 | ||
| 504 | M | 36.8 | Very low | 36.3 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 80% | 0.803 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 8.7 | -179.5 | -72.6 | 174.1 | 63.9 | 0 | 0 | 114.6 | ||
| 505 | A | 39.1 | Very low | 35.9 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -100.3 | 7.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 506 | K | 37.5 | Very low | 35.6 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 79% | 0.787 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -144.5 | 94.9 | 175.4 | -72.6 | -177.6 | -179.4 | 172.8 | 0 | 109.7 | ||
| 507 | D | 36.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | trans | 166.1 | 116.7 | 132.7 | -78.8 | -17.3 | 0 | 0 | 0 | 109.1 | ||||
| 508 | G | 32.3 | Very low | 35 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | -85.5 | 160.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 509 | H | 33.2 | Very low | 34.8 | Very low | 206 Ų | 206 | 128.6 Ų | 128.6 | 95% | 0.954 | 72% | 0.724 | S | S | * | * | trans | 87 | 113.8 | 165.8 | -70.2 | -37.5 | 0 | 0 | 0 | 119.3 | ||||
| 510 | G | 33.5 | Very low | 34.8 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 153.2 | 97.6 | 149.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 511 | N | 30.9 | Very low | 34.6 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | -46.3 | 148.4 | 171.8 | -79.7 | -13.8 | 0 | 0 | 0 | 115.2 | ||||
| 512 | F | 29.4 | Very low | 34.1 | Very low | 180 Ų | 180 | 135 Ų | 135 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | 159.7 | 112.5 | 98.2 | -158.8 | -103.5 | 0 | 0 | 0 | 114 | |||||
| 513 | V | 33 | Very low | 33.8 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | trans | 43.8 | 112.9 | 134 | -173.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 514 | F | 27.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | 68.2 | 130 | 95.2 | -138.5 | -118.3 | 0 | 0 | 0 | 113.2 | |||||
| 515 | D | 34.6 | Very low | 33.4 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | cis | -170.2 | 171.2 | 46.3 | -153.7 | -4 | 0 | 0 | 0 | 113.2 | ||||
| 516 | E | 32.4 | Very low | 33 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 65% | 0.654 | 78% | 0.777 | S | S | * | * | trans | -66.5 | 158.3 | -168.7 | -147.4 | 176.6 | 117.1 | 0 | 0 | 117.9 | ||||
| 517 | Q | 33.6 | Very low | 33.1 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 149 | 115.1 | 113.6 | -130.1 | 140.9 | 51.6 | 0 | 0 | 116.7 | |||||
| 518 | S | 33.2 | Very low | 33 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 70.8 | 126.3 | 131.4 | -164.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 519 | S | 35 | Very low | 33 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 91 | 97.3 | 134.1 | 47.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 520 | A | 38.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 82 | 146.1 | 124.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 521 | P | 33.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -118 | 166.4 | -149 | 38.3 | -22.8 | 0 | 0 | 0 | 114.4 | ||||
| 522 | L | 29.7 | Very low | 34.2 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 167.3 | 149.4 | 131.7 | -87.2 | 174.9 | 0 | 0 | 0 | 111.9 | ||||
| 523 | H | 33 | Very low | 34.5 | Very low | 165 Ų | 165 | 139 Ų | 139 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 88.1 | 100.6 | 162.1 | -79.7 | -83 | 0 | 0 | 0 | 122.5 | ||||
| 524 | F | 28.6 | Very low | 35 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | 59.2 | 105.4 | 112.3 | -152.8 | -98.2 | 0 | 0 | 0 | 120.8 | |||||
| 525 | K | 35.9 | Very low | 35.6 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | 166.1 | 142.4 | 128.1 | -96.6 | 167.7 | -178.8 | -179.8 | 0 | 114 | |||||
| 526 | K | 31 | Very low | 35.8 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | -74.9 | 156.2 | 164.2 | -72.9 | 174.2 | 175.5 | 173.4 | 0 | 111.5 | ||||
| 527 | P | 39.4 | Very low | 36.2 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | -147.2 | 148.3 | 112.8 | 32.8 | -14.4 | 0 | 0 | 0 | 112.5 | |||||
| 528 | K | 34.5 | Very low | 36.6 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | 57.7 | 115.1 | 75.1 | -111.3 | -160.7 | 164.5 | 175.8 | 0 | 117.7 | |||||
| 529 | I | 33.5 | Very low | 36.9 | Very low | 141 Ų | 141 | 136 Ų | 136 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | 77.3 | 118.7 | 146.1 | -54 | 161.1 | 0 | 0 | 0 | 119 | ||||
| 530 | A | 44.7 | Very low | 37.1 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -161.7 | 138.4 | 131.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 531 | D | 33.6 | Very low | 37.2 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -122.7 | 125.4 | -171.8 | -166.2 | 7.4 | 0 | 0 | 0 | 106.6 | ||||
| 532 | V | 43 | Very low | 37.5 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -155 | 121.8 | 167.2 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 533 | G | 36.2 | Very low | 37.9 | Very low | 63 Ų | 63 | 137.4 Ų | 137.4 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -100.9 | 168.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 534 | K | 43.2 | Very low | 38.2 | Very low | 209 Ų | 209 | 132.8 Ų | 132.8 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 169.4 | 153.6 | 156.5 | -112.6 | 164.2 | 168.8 | 165.5 | 0 | 106.7 | ||||
| 535 | A | 41.4 | Very low | 38.9 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | cis | 170.1 | 150.9 | -20.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 536 | G | 38.9 | Very low | 38.9 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 112 | 96.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 537 | S | 40.4 | Very low | 39.5 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 69.5 | 128 | 80 | -133.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 538 | L | 41.3 | Very low | 39.6 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | cis | -166.9 | 166.4 | 49.6 | -79.6 | 163 | 0 | 0 | 0 | 112.9 | ||||
| 539 | A | 39.7 | Very low | 39.8 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -41.9 | 162.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 540 | S | 40.5 | Very low | 39.9 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | -176.8 | 155.6 | 64.3 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 541 | S | 38.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -71.6 | 152.3 | 179.3 | 40.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 542 | N | 40.7 | Very low | 39.7 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | -172.5 | 146.6 | 125.5 | -105.4 | 3.8 | 0 | 0 | 0 | 114.1 | |||||
| 543 | S | 38.2 | Very low | 39.4 | Very low | 122 Ų | 122 | 118 Ų | 118 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -104.7 | 161.5 | -176.8 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 544 | G | 39.6 | Very low | 39.4 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | 152 | 106.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 545 | S | 42.1 | Very low | 38.8 | Very low | 115 Ų | 115 | 118 Ų | 118 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | 61.7 | 140.5 | 82.3 | -171.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 546 | S | 36.8 | Very low | 38.4 | Very low | 99 Ų | 99 | 119.3 Ų | 119.3 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | -169.5 | 176.1 | -17.2 | -84.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 547 | K | 42.4 | Very low | 38.2 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 68% | 0.683 | 75% | 0.754 | S | S | * | * | trans | 94.5 | 113 | 160.8 | -73.2 | -177.4 | 165.6 | -100.3 | 0 | 118.1 | ||||
| 548 | E | 42.8 | Very low | 37.8 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 64% | 0.64 | 76% | 0.76 | S | S | * | * | 83 | 141.2 | 89.2 | -76.3 | 171.9 | -174.3 | 0 | 0 | 109.3 | |||||
| 549 | D | 38.7 | Very low | 37.7 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | cis | -172.5 | 168.1 | 1.5 | -99.9 | -26.1 | 0 | 0 | 0 | 106.8 | ||||
| 550 | G | 36.2 | Very low | 37.2 | Very low | 60 Ų | 60 | 122.2 Ų | 122.2 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | trans | 107.1 | 102.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 551 | S | 40.3 | Very low | 37 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | 71.3 | 130.9 | 89.1 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 552 | E | 33.2 | Very low | 36.7 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | cis | 176.6 | 173.8 | 12.3 | 177.7 | 166.3 | 179.8 | 0 | 0 | 105.4 | ||||
| 553 | S | 35.8 | Very low | 36.2 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 86.9 | 97.3 | 162.3 | 78.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 554 | T | 36.4 | Very low | 35.9 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | 13.2 | 122.5 | 125.5 | 58.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 555 | N | 31.5 | Very low | 35.4 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | -149.1 | 94.9 | 144.9 | -93.5 | -27.5 | 0 | 0 | 0 | 110.1 | T557 | N555-T557 PolarHBondContact O-N 3.26Å; N555-T557 PolarHBondContact O-OG1 2.94Å | ||
| 556 | S | 32.7 | Very low | 35 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -57 | 109.3 | 148 | 49.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 557 | T | 34.4 | Very low | 35 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 59% | 0.589 | 75% | 0.75 | S | S | * | * | trans | -124.5 | 96.9 | 175.5 | -29 | 0 | 0 | 0 | 0 | 109 | N555 V559 | N555-T557 PolarHBondContact O-N 3.26Å; N555-T557 PolarHBondContact O-OG1 2.94Å; T557-V559 HydrophobicContact CG2-CG2 3.13Å; T557-V559 PolarHBondContact O-N 3.35Å | ||
| 558 | T | 32.9 | Very low | 34.7 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | -58.6 | 110.4 | 146.4 | 40.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 559 | V | 37.8 | Very low | 34.5 | Very low | 91 Ų | 91 | 140 Ų | 140 | 55% | 0.552 | 76% | 0.764 | S | S | * | * | trans | -128.2 | 98.5 | 170.7 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | T557 T561 | T557-V559 HydrophobicContact CG2-CG2 3.13Å; T557-V559 PolarHBondContact O-N 3.35Å; V559-T561 HydrophobicContact CG1-CG2 3.89Å; V559-T561 PolarHBondContact O-N 3.02Å | ||
| 560 | D | 29.8 | Very low | 34.7 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -47.1 | 115.9 | 150.8 | -77.9 | -67.2 | 0 | 0 | 0 | 110.2 | ||||
| 561 | T | 35.5 | Very low | 34.8 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | -136.2 | 100.8 | 166.4 | 25.4 | 0 | 0 | 0 | 0 | 111.8 | V559 | V559-T561 HydrophobicContact CG1-CG2 3.89Å; V559-T561 PolarHBondContact O-N 3.02Å | ||
| 562 | K | 33.6 | Very low | 34.7 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | 80.5 | 91.4 | 127.8 | -141.8 | 163.4 | -171.7 | 170.6 | 0 | 116.5 | R564 | K562-R564 PolarHBondContact O-N 3.12Š| |||
| 563 | K | 30.1 | Very low | 35.1 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -24.1 | 124.2 | 140.6 | -72.8 | 177.2 | 176.5 | 176.1 | 0 | 111.9 | ||||
| 564 | R | 31.4 | Very low | 35.2 | Very low | 224 Ų | 224 | 155.6 Ų | 155.6 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -130.5 | 80.7 | 142.8 | -148.9 | 174.9 | -170.8 | 172.6 | 1.1 | 108.9 | K562 L566 | K562-R564 PolarHBondContact O-N 3.12Å; R564-L566 HydrophobicContact CG-CD1 4.16Å | ||
| 565 | S | 29.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 161.4 Ų | 161.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -70.2 | 116.9 | 156.6 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 566 | L | 33.5 | Very low | 35.5 | Very low | 109 Ų | 109 | 162.3 Ų | 162.3 | 57% | 0.571 | 81% | 0.805 | S | S | * | * | trans | -152.3 | 108 | 164.8 | -92.9 | 158.6 | 0 | 0 | 0 | 101.9 | R564 | R564-L566 HydrophobicContact CG-CD1 4.16Š| ||
| 567 | F | 36.3 | Very low | 35.6 | Very low | 185 Ų | 185 | 164.4 Ų | 164.4 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | cis | -147.8 | 158 | 47 | -80.5 | -93.5 | 0 | 0 | 0 | 111.5 | ||||
| 568 | P | 36.5 | Very low | 35.7 | Very low | 102 Ų | 102 | 168.2 Ų | 168.2 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | trans | -95.2 | 122.9 | -163.9 | 34.7 | -27.2 | 0 | 0 | 0 | 112.1 | K570 | P568-K570 PolarHBondContact O-N 3.13Š| ||
| 569 | F | 37.8 | Very low | 35.8 | Very low | 216 Ų | 216 | 169.6 Ų | 169.6 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -88 | 98.6 | 153 | -88.4 | -80.5 | 0 | 0 | 0 | 108.3 | K571 | F569-K571 PolarHBondContact O-N 2.74Š| ||
| 570 | K | 42.1 | Very low | 35.7 | Very low | 178 Ų | 178 | 174.5 Ų | 174.5 | 77% | 0.774 | 83% | 0.826 | S | S | * | * | trans | -56.8 | 115 | 168.8 | -75.5 | 178.9 | 176 | 179.3 | 0 | 108.8 | P568 L572 | P568-K570 PolarHBondContact O-N 3.13Å; K570-L572 PolarHBondContact O-N 3.25Å | ||
| 571 | K | 39.8 | Very low | 36.1 | Very low | 207 Ų | 207 | 175.3 Ų | 175.3 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | -64.4 | 107.6 | 149.7 | -87.2 | -176.5 | 175 | 179.4 | 0 | 107.3 | F569 | F569-K571 PolarHBondContact O-N 2.74Š| ||
| 572 | L | 37.1 | Very low | 36.2 | Very low | 160 Ų | 160 | 179.4 Ų | 179.4 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -86.9 | 116.7 | 155.7 | -98.1 | 121.2 | 0 | 0 | 0 | 107.7 | K570 | K570-L572 PolarHBondContact O-N 3.25Š| ||
| 573 | K | 43.2 | Very low | 36.4 | Very low | 186 Ų | 186 | 177.9 Ų | 177.9 | 81% | 0.809 | 83% | 0.828 | S | S | * | * | trans | -79.2 | 134.9 | 163.5 | -94 | -177.8 | 168.2 | 176 | 0 | 108.6 | ||||
| 574 | F | 36.2 | Very low | 36.9 | Very low | 196 Ų | 196 | 176.6 Ų | 176.6 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 37.2 | 119 | 143 | -70.8 | -86.9 | 0 | 0 | 0 | 120 | ||||
| 575 | H | 38.9 | Very low | 37.4 | Very low | 249 Ų | 249 | 172.3 Ų | 172.3 | 100% | 1.153 | 83% | 0.825 | S | S | * | * | -128.4 | 0 | 103.8 | -158.3 | -56.3 | 0 | 0 | 0 | 109.2 |
Retrieved 575 of 575 residues in 625 ms
(Link to these results)