| 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 | 54.9 | Low | 74.4 | Confident | 219 Ų | 219 | 124.7 Ų | 124.7 | 100% | 1.079 | 63% | 0.627 | S | S | * | * | 0 | 67.9 | 0 | -74.5 | 169.6 | 169.8 | 0 | 0 | 108.2 | |||||
| 2 | E | 63.4 | Low | 75.9 | Confident | 167 Ų | 167 | 121.9 Ų | 121.9 | 78% | 0.78 | 61% | 0.614 | S | S | * | * | trans | -123.7 | -22.6 | -172.4 | -68.6 | 176.1 | 172.9 | 0 | 0 | 112.8 | Y4 S6 | E2-Y4 VanDerWaalsContact C-N 3.26Å; E2-Y4 PolarHBondContact O-N 2.97Å; E2-S6 PolarHBondContact O-N 3.1Å | ||
| 3 | L | 60.1 | Low | 77.1 | Confident | 147 Ų | 147 | 119.9 Ų | 119.9 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.9 | -19.7 | 176.3 | -61.3 | 173 | 0 | 0 | 0 | 112.6 | T7 | L3-T7 PolarHBondContact O-N 3.33Å; L3-T7 PolarHBondContact O-OG1 3.41Å |
| 4 | Y | 62.5 | Low | 78.3 | Confident | 154 Ų | 154 | 115.7 Ų | 115.7 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.4 | -61.4 | 173.7 | -154.6 | -107.7 | 0 | 0 | 0 | 107.9 | E2 S6 T7 Y8 | E2-Y4 VanDerWaalsContact C-N 3.26Å; E2-Y4 PolarHBondContact O-N 2.97Å; Y4-S6 VanDerWaalsContact C-N 3.3Å; Y4-S6 PolarHBondContact O-N 2.85Å; Y4-S6 VanDerWaalsContact O-N 3.15Å; Y4-T7 PolarHBondContact O-N 2.84Å; Y4-Y8 VanDerWaalsContact C-CD2 3.46Å; Y4-Y8 AromaticContact CD1-CD2 3.46Å; Y4-Y8 HydrophobicContact CD1-CD2 3.46Å; Y4-Y8 VanDerWaalsContact CD1-CD2 3.46Å; Y4-Y8 AromaticContact CD1-CE2 3.07Å; Y4-Y8 HydrophobicContact CD1-CE2 3.07Å; Y4-Y8 AromaticContact CD1-CZ 4Å; Y4-Y8 HydrophobicContact CD2-CD2 4.42Å; Y4-Y8 AromaticContact CD2-CE2 3.47Å; Y4-Y8 HydrophobicContact CD2-CE2 3.47Å; Y4-Y8 VanDerWaalsContact CD2-CE2 3.47Å; Y4-Y8 AromaticContact CE1-CD2 3.7Å; Y4-Y8 HydrophobicContact CE1-CD2 3.7Å; Y4-Y8 HydrophobicContact CE1-CE1 4.45Å; Y4-Y8 AromaticContact CE1-CE2 3Å; Y4-Y8 HydrophobicContact CE1-CE2 3Å; Y4-Y8 AromaticContact CE1-CZ 3.43Å; Y4-Y8 VanDerWaalsContact CE1-CZ 3.43Å; Y4-Y8 AromaticContact CE2-CE2 3.39Å; Y4-Y8 HydrophobicContact CE2-CE2 3.39Å; Y4-Y8 AromaticContact CE2-CZ 3.66Å; Y4-Y8 WeakPolarHBondContact CE2-OH 3.26Å; Y4-Y8 AromaticContact CG-CD2 3.86Å; Y4-Y8 HydrophobicContact CG-CD2 3.86Å; Y4-Y8 AromaticContact CG-CE2 3.31Å; Y4-Y8 HydrophobicContact CG-CE2 3.31Å; Y4-Y8 AromaticContact CZ-CE2 3.17Å; Y4-Y8 AromaticContact CZ-CZ 3.24Å; Y4-Y8 WeakPolarHBondContact O-CD2 3.26Å; Y4-Y8 PolarHBondContact O-N 3.14Å; Y4-Y8 PolarHBondContact OH-OH 3.44Å |
| 5 | E | 71.9 | Confident | 79.4 | Confident | 111 Ų | 111 | 111.9 Ų | 111.9 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -43.9 | -49.4 | 173.9 | -106.4 | 64.3 | -154.4 | 0 | 0 | 113.9 | T7 Y8 F9 | E5-T7 PolarHBondContact O-N 3.45Å; E5-Y8 PolarHBondContact O-N 2.81Å; E5-F9 HydrophobicContact CB-CD2 4.49Å; E5-F9 HydrophobicContact CB-CE2 4.29Å; E5-F9 HydrophobicContact CG-CE2 4.1Å; E5-F9 WeakPolarHBondContact O-CD2 3.49Å; E5-F9 PolarHBondContact O-N 3.45Å |
| 6 | S | 77.2 | Confident | 80.4 | Confident | 71 Ų | 71 | 109.5 Ų | 109.5 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -41.5 | -176.9 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | E2 Y4 F9 V10 | E2-S6 PolarHBondContact O-N 3.1Å; Y4-S6 VanDerWaalsContact C-N 3.3Å; Y4-S6 PolarHBondContact O-N 2.85Å; Y4-S6 VanDerWaalsContact O-N 3.15Å; S6-F9 PolarHBondContact O-N 3.33Å; S6-V10 WeakPolarHBondContact O-CG2 3.29Å; S6-V10 PolarHBondContact O-N 3.43Å |
| 7 | T | 82.3 | Confident | 81.3 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.3 | -36.6 | 177.3 | -49.8 | 0 | 0 | 0 | 0 | 111.2 | L3 Y4 E5 V10 V11 | L3-T7 PolarHBondContact O-N 3.33Å; L3-T7 PolarHBondContact O-OG1 3.41Å; Y4-T7 PolarHBondContact O-N 2.84Å; E5-T7 PolarHBondContact O-N 3.45Å; T7-V10 PolarHBondContact O-N 3.17Å; T7-V11 PolarHBondContact O-N 3.48Å |
| 8 | Y | 85.4 | Confident | 82.1 | Confident | 102 Ų | 102 | 106.4 Ų | 106.4 | 40% | 0.4 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.8 | -48.9 | 171.5 | -75.6 | -72.5 | 0 | 0 | 0 | 110.4 | Y4 E5 V10 V11 L12 | Y4-Y8 VanDerWaalsContact C-CD2 3.46Å; Y4-Y8 AromaticContact CD1-CD2 3.46Å; Y4-Y8 HydrophobicContact CD1-CD2 3.46Å; Y4-Y8 VanDerWaalsContact CD1-CD2 3.46Å; Y4-Y8 AromaticContact CD1-CE2 3.07Å; Y4-Y8 HydrophobicContact CD1-CE2 3.07Å; Y4-Y8 AromaticContact CD1-CZ 4Å; Y4-Y8 HydrophobicContact CD2-CD2 4.42Å; Y4-Y8 AromaticContact CD2-CE2 3.47Å; Y4-Y8 HydrophobicContact CD2-CE2 3.47Å; Y4-Y8 VanDerWaalsContact CD2-CE2 3.47Å; Y4-Y8 AromaticContact CE1-CD2 3.7Å; Y4-Y8 HydrophobicContact CE1-CD2 3.7Å; Y4-Y8 HydrophobicContact CE1-CE1 4.45Å; Y4-Y8 AromaticContact CE1-CE2 3Å; Y4-Y8 HydrophobicContact CE1-CE2 3Å; Y4-Y8 AromaticContact CE1-CZ 3.43Å; Y4-Y8 VanDerWaalsContact CE1-CZ 3.43Å; Y4-Y8 AromaticContact CE2-CE2 3.39Å; Y4-Y8 HydrophobicContact CE2-CE2 3.39Å; Y4-Y8 AromaticContact CE2-CZ 3.66Å; Y4-Y8 WeakPolarHBondContact CE2-OH 3.26Å; Y4-Y8 AromaticContact CG-CD2 3.86Å; Y4-Y8 HydrophobicContact CG-CD2 3.86Å; Y4-Y8 AromaticContact CG-CE2 3.31Å; Y4-Y8 HydrophobicContact CG-CE2 3.31Å; Y4-Y8 AromaticContact CZ-CE2 3.17Å; Y4-Y8 AromaticContact CZ-CZ 3.24Å; Y4-Y8 WeakPolarHBondContact O-CD2 3.26Å; Y4-Y8 PolarHBondContact O-N 3.14Å; Y4-Y8 PolarHBondContact OH-OH 3.44Å; E5-Y8 PolarHBondContact O-N 2.81Å; Y8-V10 VanDerWaalsContact C-N 3.26Å; Y8-V10 PolarHBondContact O-N 2.74Å; Y8-V11 PolarHBondContact O-N 3.15Å; Y8-L12 VanDerWaalsContact O-CA 3.31Å; Y8-L12 WeakPolarHBondContact O-CA 3.28Å; Y8-L12 WeakPolarHBondContact O-CB 3.4Å; Y8-L12 PolarHBondContact O-N 3.47Å |
| 9 | F | 85.4 | Confident | 82.8 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.2 | -37.8 | 178.9 | -75.9 | -64.8 | 0 | 0 | 0 | 113.2 | E5 S6 V11 I13 | E5-F9 HydrophobicContact CB-CD2 4.49Å; E5-F9 HydrophobicContact CB-CE2 4.29Å; E5-F9 HydrophobicContact CG-CE2 4.1Å; E5-F9 WeakPolarHBondContact O-CD2 3.49Å; E5-F9 PolarHBondContact O-N 3.45Å; S6-F9 PolarHBondContact O-N 3.33Å; F9-V11 VanDerWaalsContact C-N 3.29Å; F9-V11 PolarHBondContact O-N 2.9Å; F9-I13 HydrophobicContact CB-CD1 3.88Å; F9-I13 HydrophobicContact CB-CG1 4.4Å; F9-I13 HydrophobicContact CD1-CD1 3.83Å; F9-I13 HydrophobicContact CD1-CG1 4.03Å; F9-I13 HydrophobicContact CG-CD1 4.3Å; F9-I13 WeakPolarHBondContact O-CB 3.06Å; F9-I13 WeakPolarHBondContact O-CD1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.16Å; F9-I13 PolarHBondContact O-N 2.76Å |
| 10 | V | 86 | Confident | 83.4 | Confident | 104 Ų | 104 | 104 Ų | 104 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.4 | -27.7 | 178.4 | 176 | 0 | 0 | 0 | 0 | 113.1 | S6 T7 Y8 P14 | S6-V10 WeakPolarHBondContact O-CG2 3.29Å; S6-V10 PolarHBondContact O-N 3.43Å; T7-V10 PolarHBondContact O-N 3.17Å; Y8-V10 VanDerWaalsContact C-N 3.26Å; Y8-V10 PolarHBondContact O-N 2.74Å; V10-P14 WeakPolarHBondContact O-CD 3.19Å; V10-P14 WeakPolarHBondContact O-CG 3.25Å |
| 11 | V | 89.6 | Confident | 83.9 | Confident | 94 Ų | 94 | 102.8 Ų | 102.8 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -102.9 | -40.6 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | T7 Y8 F9 P14 S15 | T7-V11 PolarHBondContact O-N 3.48Å; Y8-V11 PolarHBondContact O-N 3.15Å; F9-V11 VanDerWaalsContact C-N 3.29Å; F9-V11 PolarHBondContact O-N 2.9Å; V11-P14 WeakPolarHBondContact O-CD 2.92Å; V11-S15 WeakPolarHBondContact O-CB 3.42Å; V11-S15 PolarHBondContact O-N 3.35Å |
| 12 | L | 92.2 | Very high | 85.7 | Confident | 91 Ų | 91 | 99 Ų | 99 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | -179.2 | -169.8 | 66.4 | 0 | 0 | 0 | 111.2 | Y8 S15 V16 | Y8-L12 VanDerWaalsContact O-CA 3.31Å; Y8-L12 WeakPolarHBondContact O-CA 3.28Å; Y8-L12 WeakPolarHBondContact O-CB 3.4Å; Y8-L12 PolarHBondContact O-N 3.47Å; L12-S15 PolarHBondContact O-N 3.35Å; L12-V16 HydrophobicContact CD1-CG2 4.28Å; L12-V16 HydrophobicContact CG-CG2 4.32Å; L12-V16 WeakPolarHBondContact O-CB 3.01Å; L12-V16 WeakPolarHBondContact O-CG2 3Å; L12-V16 PolarHBondContact O-N 2.63Å |
| 13 | I | 91.1 | Very high | 87 | Confident | 96 Ų | 96 | 96.8 Ų | 96.8 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -52.7 | 179.1 | -62.9 | 168 | 0 | 0 | 0 | 110.2 | F9 S15 V16 V17 | F9-I13 HydrophobicContact CB-CD1 3.88Å; F9-I13 HydrophobicContact CB-CG1 4.4Å; F9-I13 HydrophobicContact CD1-CD1 3.83Å; F9-I13 HydrophobicContact CD1-CG1 4.03Å; F9-I13 HydrophobicContact CG-CD1 4.3Å; F9-I13 WeakPolarHBondContact O-CB 3.06Å; F9-I13 WeakPolarHBondContact O-CD1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.16Å; F9-I13 PolarHBondContact O-N 2.76Å; I13-S15 VanDerWaalsContact C-N 3.33Å; I13-S15 PolarHBondContact O-N 3.01Å; I13-V16 PolarHBondContact O-N 2.92Å; I13-V17 HydrophobicContact CG2-CG2 4.41Å; I13-V17 WeakPolarHBondContact O-CB 3.31Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.05Å; I13-V17 PolarHBondContact O-N 3.26Å |
| 14 | P | 94.1 | Very high | 88.4 | Confident | 61 Ų | 61 | 96.2 Ų | 96.2 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 174.9 | -25.6 | 36.3 | 0 | 0 | 0 | 113 | V10 V11 V16 V17 I18 | V10-P14 WeakPolarHBondContact O-CD 3.19Å; V10-P14 WeakPolarHBondContact O-CG 3.25Å; V11-P14 WeakPolarHBondContact O-CD 2.92Å; P14-V16 PolarHBondContact O-N 3.26Å; P14-V17 PolarHBondContact O-N 2.81Å; P14-I18 WeakPolarHBondContact O-CB 3.3Å; P14-I18 VanDerWaalsContact O-CD1 3.32Å; P14-I18 WeakPolarHBondContact O-CD1 3.04Å; P14-I18 WeakPolarHBondContact O-CG1 3.32Å; P14-I18 PolarHBondContact O-N 3.44Å |
| 15 | S | 94.7 | Very high | 89.6 | Confident | 59 Ų | 59 | 94.5 Ų | 94.5 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | V11 L12 I13 I18 T19 | V11-S15 WeakPolarHBondContact O-CB 3.42Å; V11-S15 PolarHBondContact O-N 3.35Å; L12-S15 PolarHBondContact O-N 3.35Å; I13-S15 VanDerWaalsContact C-N 3.33Å; I13-S15 PolarHBondContact O-N 3.01Å; S15-I18 PolarHBondContact O-N 3.38Å; S15-T19 WeakPolarHBondContact O-CG2 3.43Å; S15-T19 PolarHBondContact O-N 3.48Å; S15-T19 PolarHBondContact O-OG1 3.13Å |
| 16 | V | 95.4 | Very high | 90.4 | Very high | 73 Ų | 73 | 98.1 Ų | 98.1 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L12 I13 P14 I18 T19 V20 | L12-V16 HydrophobicContact CD1-CG2 4.28Å; L12-V16 HydrophobicContact CG-CG2 4.32Å; L12-V16 WeakPolarHBondContact O-CB 3.01Å; L12-V16 WeakPolarHBondContact O-CG2 3Å; L12-V16 PolarHBondContact O-N 2.63Å; I13-V16 PolarHBondContact O-N 2.92Å; P14-V16 PolarHBondContact O-N 3.26Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.04Å; V16-T19 WeakPolarHBondContact CA-OG1 3.03Å; V16-T19 PolarHBondContact O-N 2.83Å; V16-T19 PolarHBondContact O-OG1 3.42Å; V16-V20 HydrophobicContact CG1-CG2 4.42Å; V16-V20 VanDerWaalsContact O-CG2 3.3Å; V16-V20 WeakPolarHBondContact O-CG2 3.14Å; V16-V20 PolarHBondContact O-N 3.47Å |
| 17 | V | 96.3 | Very high | 90.9 | Very high | 75 Ų | 75 | 99.3 Ų | 99.3 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.5 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | I13 P14 T19 V20 I21 | I13-V17 HydrophobicContact CG2-CG2 4.41Å; I13-V17 WeakPolarHBondContact O-CB 3.31Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.05Å; I13-V17 PolarHBondContact O-N 3.26Å; P14-V17 PolarHBondContact O-N 2.81Å; V17-T19 PolarHBondContact O-N 2.83Å; V17-V20 PolarHBondContact O-N 2.68Å; V17-I21 HydrophobicContact CG1-CD1 3.6Å; V17-I21 HydrophobicContact CG1-CG1 4.37Å; V17-I21 WeakPolarHBondContact O-CB 3.12Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 2.73Å |
| 18 | I | 95.4 | Very high | 90.8 | Very high | 88 Ų | 88 | 99.9 Ų | 99.9 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.3 | -70.1 | 162 | 0 | 0 | 0 | 110.8 | P14 S15 V16 I21 F22 | P14-I18 WeakPolarHBondContact O-CB 3.3Å; P14-I18 VanDerWaalsContact O-CD1 3.32Å; P14-I18 WeakPolarHBondContact O-CD1 3.04Å; P14-I18 WeakPolarHBondContact O-CG1 3.32Å; P14-I18 PolarHBondContact O-N 3.44Å; S15-I18 PolarHBondContact O-N 3.38Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.04Å; I18-I21 PolarHBondContact O-N 3.48Å; I18-F22 HydrophobicContact CG2-CD2 3.48Å; I18-F22 VanDerWaalsContact CG2-CD2 3.48Å; I18-F22 HydrophobicContact CG2-CE2 3.61Å; I18-F22 WeakPolarHBondContact O-CB 3.13Å; I18-F22 WeakPolarHBondContact O-CD2 3.42Å; I18-F22 PolarHBondContact O-N 3.04Å |
| 19 | T | 95.5 | Very high | 90.6 | Very high | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 178.2 | 57 | 0 | 0 | 0 | 0 | 112.3 | S15 V16 V17 F22 L23 | S15-T19 WeakPolarHBondContact O-CG2 3.43Å; S15-T19 PolarHBondContact O-N 3.48Å; S15-T19 PolarHBondContact O-OG1 3.13Å; V16-T19 WeakPolarHBondContact CA-OG1 3.03Å; V16-T19 PolarHBondContact O-N 2.83Å; V16-T19 PolarHBondContact O-OG1 3.42Å; V17-T19 PolarHBondContact O-N 2.83Å; T19-F22 PolarHBondContact O-N 3.02Å; T19-L23 WeakPolarHBondContact O-CB 3.18Å; T19-L23 PolarHBondContact O-N 3.43Å |
| 20 | V | 94.9 | Very high | 90.1 | Very high | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V16 V17 L23 F24 | V16-V20 HydrophobicContact CG1-CG2 4.42Å; V16-V20 VanDerWaalsContact O-CG2 3.3Å; V16-V20 WeakPolarHBondContact O-CG2 3.14Å; V16-V20 PolarHBondContact O-N 3.47Å; V17-V20 PolarHBondContact O-N 2.68Å; V20-L23 PolarHBondContact O-N 2.67Å; V20-F24 VanDerWaalsContact O-CB 3.23Å; V20-F24 WeakPolarHBondContact O-CB 3.41Å; V20-F24 PolarHBondContact O-N 2.57Å |
| 21 | I | 93.6 | Very high | 89.2 | Confident | 78 Ų | 78 | 101.9 Ų | 101.9 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 176.6 | -69.4 | 169 | 0 | 0 | 0 | 111 | V17 I18 F24 F25 | V17-I21 HydrophobicContact CG1-CD1 3.6Å; V17-I21 HydrophobicContact CG1-CG1 4.37Å; V17-I21 WeakPolarHBondContact O-CB 3.12Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 2.73Å; I18-I21 PolarHBondContact O-N 3.48Å; I21-F24 PolarHBondContact O-N 2.83Å; I21-F25 HydrophobicContact CG2-CD2 3.37Å; I21-F25 HydrophobicContact CG2-CE2 3.25Å; I21-F25 HydrophobicContact CG2-CZ 4.43Å; I21-F25 WeakPolarHBondContact O-CB 3.42Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 2.88Å |
| 22 | F | 92.1 | Very high | 88 | Confident | 139 Ų | 139 | 100.2 Ų | 100.2 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -38.1 | 175.8 | -93.5 | -69.4 | 0 | 0 | 0 | 112.3 | I18 T19 F25 W26 | I18-F22 HydrophobicContact CG2-CD2 3.48Å; I18-F22 VanDerWaalsContact CG2-CD2 3.48Å; I18-F22 HydrophobicContact CG2-CE2 3.61Å; I18-F22 WeakPolarHBondContact O-CB 3.13Å; I18-F22 WeakPolarHBondContact O-CD2 3.42Å; I18-F22 PolarHBondContact O-N 3.04Å; T19-F22 PolarHBondContact O-N 3.02Å; F22-F25 PolarHBondContact O-N 3.37Å; F22-W26 WeakPolarHBondContact O-CA 2.85Å; F22-W26 WeakPolarHBondContact O-CB 3.34Å; F22-W26 PolarHBondContact O-N 2.8Å |
| 23 | L | 92 | Very high | 86.5 | Confident | 121 Ų | 121 | 100.9 Ų | 100.9 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.1 | -40.7 | 176.8 | -169.3 | 65.3 | 0 | 0 | 0 | 110.3 | T19 V20 W26 L27 | T19-L23 WeakPolarHBondContact O-CB 3.18Å; T19-L23 PolarHBondContact O-N 3.43Å; V20-L23 PolarHBondContact O-N 2.67Å; L23-W26 PolarHBondContact O-N 3.4Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 PolarHBondContact O-N 2.62Å |
| 24 | F | 88.3 | Confident | 84.9 | Confident | 135 Ų | 135 | 103.2 Ų | 103.2 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 173.4 | -160.3 | -93.5 | 0 | 0 | 0 | 110.4 | V20 I21 F28 | V20-F24 VanDerWaalsContact O-CB 3.23Å; V20-F24 WeakPolarHBondContact O-CB 3.41Å; V20-F24 PolarHBondContact O-N 2.57Å; I21-F24 PolarHBondContact O-N 2.83Å; F24-F28 HydrophobicContact CD1-CB 4.34Å; F24-F28 HydrophobicContact CE1-CB 4.47Å; F24-F28 HydrophobicContact CE1-CD2 4.03Å; F24-F28 HydrophobicContact CE1-CG 4.44Å; F24-F28 WeakPolarHBondContact O-CA 3.34Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 PolarHBondContact O-N 2.8Å |
| 25 | F | 88.6 | Confident | 83.2 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.2 | -34.5 | 176.9 | -76.4 | -53.4 | 0 | 0 | 0 | 113.4 | I21 F22 M29 | I21-F25 HydrophobicContact CG2-CD2 3.37Å; I21-F25 HydrophobicContact CG2-CE2 3.25Å; I21-F25 HydrophobicContact CG2-CZ 4.43Å; I21-F25 WeakPolarHBondContact O-CB 3.42Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 2.88Å; F22-F25 PolarHBondContact O-N 3.37Å; F25-M29 WeakPolarHBondContact O-CA 3.23Å; F25-M29 WeakPolarHBondContact O-CB 3.23Å; F25-M29 WeakPolarHBondContact O-CG 3.18Å; F25-M29 PolarHBondContact O-N 3.44Å |
| 26 | W | 89.1 | Confident | 81.5 | Confident | 187 Ų | 187 | 108.4 Ų | 108.4 | 71% | 0.708 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -49.9 | 174.7 | -175.6 | -51.1 | 0 | 0 | 0 | 109.2 | F22 L23 K30 | F22-W26 WeakPolarHBondContact O-CA 2.85Å; F22-W26 WeakPolarHBondContact O-CB 3.34Å; F22-W26 PolarHBondContact O-N 2.8Å; L23-W26 PolarHBondContact O-N 3.4Å; W26-K30 WeakPolarHBondContact O-CB 3.39Å; W26-K30 PolarHBondContact O-N 2.79Å |
| 27 | L | 87 | Confident | 79.8 | Confident | 96 Ų | 96 | 109 Ų | 109 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.2 | -49.7 | 177.6 | -164.1 | 68.8 | 0 | 0 | 0 | 109.5 | L23 M29 K30 E31 | L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 PolarHBondContact O-N 2.62Å; L27-M29 PolarHBondContact O-N 3.38Å; L27-K30 CarbonylContact O-C 3.46Å; L27-K30 PolarHBondContact O-N 3.44Å; L27-E31 WeakPolarHBondContact CD1-OE2 3.46Å; L27-E31 WeakPolarHBondContact O-CA 3.32Å; L27-E31 WeakPolarHBondContact O-CB 3.11Å; L27-E31 PolarHBondContact O-N 3.36Å |
| 28 | F | 80.6 | Confident | 78 | Confident | 102 Ų | 102 | 110.3 Ų | 110.3 | 45% | 0.447 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 179.2 | -170.6 | -91.2 | 0 | 0 | 0 | 112.5 | F24 K30 T32 | F24-F28 HydrophobicContact CD1-CB 4.34Å; F24-F28 HydrophobicContact CE1-CB 4.47Å; F24-F28 HydrophobicContact CE1-CD2 4.03Å; F24-F28 HydrophobicContact CE1-CG 4.44Å; F24-F28 WeakPolarHBondContact O-CA 3.34Å; F24-F28 WeakPolarHBondContact O-CB 3.33Å; F24-F28 PolarHBondContact O-N 2.8Å; F28-K30 PolarHBondContact O-N 2.91Å; F28-T32 HydrophobicContact CD1-CG2 3.99Å; F28-T32 HydrophobicContact CD2-CG2 3.39Å; F28-T32 HydrophobicContact CE1-CG2 3.98Å; F28-T32 HydrophobicContact CE2-CG2 3.39Å; F28-T32 HydrophobicContact CG-CG2 3.7Å; F28-T32 HydrophobicContact CZ-CG2 3.69Å; F28-T32 WeakPolarHBondContact O-CA 3.41Å; F28-T32 VanDerWaalsContact O-CB 3.23Å; F28-T32 WeakPolarHBondContact O-CB 3.12Å; F28-T32 WeakPolarHBondContact O-CG2 3.2Å; F28-T32 PolarHBondContact O-N 3.37Å; F28-T32 PolarHBondContact O-OG1 2.81Å |
| 29 | M | 80.6 | Confident | 76.2 | Confident | 127 Ų | 127 | 108.8 Ų | 108.8 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68 | -23.9 | 174.1 | -70.1 | -72 | -75 | 0 | 0 | 112.6 | F25 L27 L33 | F25-M29 WeakPolarHBondContact O-CA 3.23Å; F25-M29 WeakPolarHBondContact O-CB 3.23Å; F25-M29 WeakPolarHBondContact O-CG 3.18Å; F25-M29 PolarHBondContact O-N 3.44Å; L27-M29 PolarHBondContact O-N 3.38Å; M29-L33 WeakPolarHBondContact O-CB 3.38Å |
| 30 | K | 74.8 | Confident | 74.4 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -86.3 | -59.9 | 174.6 | -155.9 | -177.1 | 177.5 | -169.3 | 0 | 109.7 | W26 L27 F28 Y34 | W26-K30 WeakPolarHBondContact O-CB 3.39Å; W26-K30 PolarHBondContact O-N 2.79Å; L27-K30 CarbonylContact O-C 3.46Å; L27-K30 PolarHBondContact O-N 3.44Å; F28-K30 PolarHBondContact O-N 2.91Å; K30-Y34 HydrophobicContact CG-CD2 4.22Å; K30-Y34 HydrophobicContact CG-CE2 4.2Å; K30-Y34 WeakPolarHBondContact O-CB 3.4Å; K30-Y34 WeakPolarHBondContact O-CD2 3.12Å; K30-Y34 PolarHBondContact O-N 2.84Å |
| 31 | E | 67.2 | Low | 72.7 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | -178.8 | -138.9 | 86.6 | -175.1 | 0 | 0 | 114.3 | L27 Y34 D35 | L27-E31 WeakPolarHBondContact CD1-OE2 3.46Å; L27-E31 WeakPolarHBondContact O-CA 3.32Å; L27-E31 WeakPolarHBondContact O-CB 3.11Å; L27-E31 PolarHBondContact O-N 3.36Å; E31-Y34 PolarHBondContact O-N 3.44Å; E31-D35 PolarHBondContact O-N 2.76Å |
| 32 | T | 65.1 | Low | 71 | Confident | 58 Ų | 58 | 114.7 Ų | 114.7 | 36% | 0.356 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -75.8 | -30.2 | 179.4 | 68.9 | 0 | 0 | 0 | 0 | 112.9 | F28 Y34 D35 E36 | F28-T32 HydrophobicContact CD1-CG2 3.99Å; F28-T32 HydrophobicContact CD2-CG2 3.39Å; F28-T32 HydrophobicContact CE1-CG2 3.98Å; F28-T32 HydrophobicContact CE2-CG2 3.39Å; F28-T32 HydrophobicContact CG-CG2 3.7Å; F28-T32 HydrophobicContact CZ-CG2 3.69Å; F28-T32 WeakPolarHBondContact O-CA 3.41Å; F28-T32 VanDerWaalsContact O-CB 3.23Å; F28-T32 WeakPolarHBondContact O-CB 3.12Å; F28-T32 WeakPolarHBondContact O-CG2 3.2Å; F28-T32 PolarHBondContact O-N 3.37Å; F28-T32 PolarHBondContact O-OG1 2.81Å; T32-Y34 VanDerWaalsContact C-N 3.28Å; T32-D35 PolarHBondContact O-N 3.26Å; T32-E36 PolarHBondContact O-N 2.94Å |
| 33 | L | 60.3 | Low | 69.1 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 56% | 0.555 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -37 | 169.2 | -166.2 | 77.3 | 0 | 0 | 0 | 110.4 | M29 V37 | M29-L33 WeakPolarHBondContact O-CB 3.38Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.33Å |
| 34 | Y | 56.5 | Low | 67.2 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.5 | -38.3 | 173.8 | -94.3 | -74.4 | 0 | 0 | 0 | 112.6 | K30 E31 T32 V37 L38 | K30-Y34 HydrophobicContact CG-CD2 4.22Å; K30-Y34 HydrophobicContact CG-CE2 4.2Å; K30-Y34 WeakPolarHBondContact O-CB 3.4Å; K30-Y34 WeakPolarHBondContact O-CD2 3.12Å; K30-Y34 PolarHBondContact O-N 2.84Å; E31-Y34 PolarHBondContact O-N 3.44Å; T32-Y34 VanDerWaalsContact C-N 3.28Å; Y34-V37 PolarHBondContact O-N 3.34Å; Y34-L38 HydrophobicContact CD1-CD1 4.36Å; Y34-L38 VanDerWaalsContact O-CB 3.31Å; Y34-L38 WeakPolarHBondContact O-CB 3.18Å; Y34-L38 PolarHBondContact O-N 3.34Å |
| 35 | D | 59.2 | Low | 65.5 | Low | 115 Ų | 115 | 115.5 Ų | 115.5 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.9 | -37.8 | 178.9 | -162.3 | 27.3 | 0 | 0 | 0 | 112.1 | E31 T32 V37 A39 | E31-D35 PolarHBondContact O-N 2.76Å; T32-D35 PolarHBondContact O-N 3.26Å; D35-V37 PolarHBondContact O-N 3.49Å; D35-A39 WeakPolarHBondContact O-CB 3.18Å; D35-A39 PolarHBondContact O-N 2.95Å |
| 36 | E | 60.3 | Low | 63.7 | Low | 115 Ų | 115 | 116.8 Ų | 116.8 | 54% | 0.537 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 174.5 | -156.3 | -166.6 | 161.6 | 0 | 0 | 111.8 | T32 K40 | T32-E36 PolarHBondContact O-N 2.94Å; E36-K40 VanDerWaalsContact O-CB 3.28Å; E36-K40 WeakPolarHBondContact O-CB 3.48Å; E36-K40 WeakPolarHBondContact O-CG 3.12Å; E36-K40 PolarHBondContact O-N 2.92Å; E36-K40 IonicContact OE1-NZ 3.98Å |
| 37 | V | 59.3 | Low | 61.9 | Low | 84 Ų | 84 | 113.1 Ų | 113.1 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -75 | -38.7 | 179 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | L33 Y34 D35 Q41 | L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.33Å; Y34-V37 PolarHBondContact O-N 3.34Å; D35-V37 PolarHBondContact O-N 3.49Å; V37-Q41 WeakPolarHBondContact O-CB 2.87Å; V37-Q41 PolarHBondContact O-N 2.84Å |
| 38 | L | 57.4 | Low | 60.2 | Low | 104 Ų | 104 | 113.8 Ų | 113.8 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 173.2 | -109.5 | 69.2 | 0 | 0 | 0 | 111.5 | Y34 Q41 K42 | Y34-L38 HydrophobicContact CD1-CD1 4.36Å; Y34-L38 VanDerWaalsContact O-CB 3.31Å; Y34-L38 WeakPolarHBondContact O-CB 3.18Å; Y34-L38 PolarHBondContact O-N 3.34Å; L38-Q41 PolarHBondContact O-N 3.37Å; L38-K42 WeakPolarHBondContact O-CB 3.3Å; L38-K42 PolarHBondContact O-N 3.44Å |
| 39 | A | 58.4 | Low | 58.6 | Low | 55 Ų | 55 | 112.9 Ų | 112.9 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.5 | -40.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D35 R43 | D35-A39 WeakPolarHBondContact O-CB 3.18Å; D35-A39 PolarHBondContact O-N 2.95Å; A39-R43 VanDerWaalsContact O-CB 3.3Å; A39-R43 WeakPolarHBondContact O-CB 3.24Å; A39-R43 PolarHBondContact O-N 2.88Å |
| 40 | K | 57.4 | Low | 57 | Low | 110 Ų | 110 | 111.9 Ų | 111.9 | 48% | 0.478 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.4 | -43.2 | 171.5 | -81 | -165.1 | -179.3 | -173.4 | 0 | 111.8 | E36 K42 R43 E44 | E36-K40 VanDerWaalsContact O-CB 3.28Å; E36-K40 WeakPolarHBondContact O-CB 3.48Å; E36-K40 WeakPolarHBondContact O-CG 3.12Å; E36-K40 PolarHBondContact O-N 2.92Å; E36-K40 IonicContact OE1-NZ 3.98Å; K40-K42 PolarHBondContact O-N 3.32Å; K40-R43 PolarHBondContact O-N 3.39Å; K40-R43 VanDerWaalsContact O-N 3.15Å; K40-E44 VanDerWaalsContact O-CB 3.26Å; K40-E44 WeakPolarHBondContact O-CB 3.31Å; K40-E44 VanDerWaalsContact O-CG 3.29Å; K40-E44 WeakPolarHBondContact O-CG 3.22Å; K40-E44 PolarHBondContact O-N 2.93Å |
| 41 | Q | 59.5 | Low | 55.9 | Low | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -43.4 | 176.1 | -173.2 | -173.1 | -31.2 | 0 | 0 | 111.2 | V37 L38 R43 Q45 | V37-Q41 WeakPolarHBondContact O-CB 2.87Å; V37-Q41 PolarHBondContact O-N 2.84Å; L38-Q41 PolarHBondContact O-N 3.37Å; Q41-R43 VanDerWaalsContact C-N 3.28Å; Q41-R43 PolarHBondContact O-N 3.3Å; Q41-Q45 WeakPolarHBondContact O-CA 3.39Å; Q41-Q45 WeakPolarHBondContact O-CB 3.37Å; Q41-Q45 PolarHBondContact O-N 2.93Å |
| 42 | K | 56.6 | Low | 55 | Low | 145 Ų | 145 | 114.8 Ų | 114.8 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.5 | -27.3 | 177.2 | -161.5 | -177.6 | -176.8 | -168.7 | 0 | 112.5 | L38 K40 K46 | L38-K42 WeakPolarHBondContact O-CB 3.3Å; L38-K42 PolarHBondContact O-N 3.44Å; K40-K42 PolarHBondContact O-N 3.32Å; K42-K46 VanDerWaalsContact O-CB 3.28Å; K42-K46 WeakPolarHBondContact O-CB 3.15Å; K42-K46 WeakPolarHBondContact O-CG 3.19Å; K42-K46 PolarHBondContact O-N 3.23Å |
| 43 | R | 54 | Low | 54.2 | Low | 190 Ų | 190 | 118.7 Ų | 118.7 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.1 | -40.9 | 176.8 | -160.7 | -178 | -156.2 | 93.8 | -0.6 | 112.6 | A39 K40 Q41 K46 L47 | A39-R43 VanDerWaalsContact O-CB 3.3Å; A39-R43 WeakPolarHBondContact O-CB 3.24Å; A39-R43 PolarHBondContact O-N 2.88Å; K40-R43 PolarHBondContact O-N 3.39Å; K40-R43 VanDerWaalsContact O-N 3.15Å; Q41-R43 VanDerWaalsContact C-N 3.28Å; Q41-R43 PolarHBondContact O-N 3.3Å; R43-K46 PolarHBondContact O-N 3.34Å; R43-L47 PolarHBondContact O-N 2.64Å; R43-L47 VanDerWaalsContact O-N 3.13Å |
| 44 | E | 51.2 | Low | 53.9 | Low | 106 Ų | 106 | 122.9 Ų | 122.9 | 50% | 0.495 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.3 | -37 | -179.8 | -65.3 | -168 | -158.4 | 0 | 0 | 111.6 | K40 K46 L47 I48 | K40-E44 VanDerWaalsContact O-CB 3.26Å; K40-E44 WeakPolarHBondContact O-CB 3.31Å; K40-E44 VanDerWaalsContact O-CG 3.29Å; K40-E44 WeakPolarHBondContact O-CG 3.22Å; K40-E44 PolarHBondContact O-N 2.93Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.5Å; E44-L47 CarbonylContact O-C 3.59Å; E44-L47 PolarHBondContact O-N 3.11Å; E44-L47 VanDerWaalsContact O-N 3.1Å; E44-I48 VanDerWaalsContact O-CG1 3.26Å; E44-I48 WeakPolarHBondContact O-CG1 2.96Å; E44-I48 PolarHBondContact O-N 2.77Å |
| 45 | Q | 52.8 | Low | 53.8 | Low | 116 Ų | 116 | 125.7 Ų | 125.7 | 54% | 0.542 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.7 | -34.7 | 168.5 | -169.9 | 175.4 | 16.9 | 0 | 0 | 111.3 | Q41 L47 I48 S49 | Q41-Q45 WeakPolarHBondContact O-CA 3.39Å; Q41-Q45 WeakPolarHBondContact O-CB 3.37Å; Q41-Q45 PolarHBondContact O-N 2.93Å; Q45-L47 VanDerWaalsContact C-N 3.31Å; Q45-L47 PolarHBondContact O-N 3.07Å; Q45-I48 PolarHBondContact O-N 3.21Å; Q45-S49 WeakPolarHBondContact O-CB 3.36Å; Q45-S49 PolarHBondContact O-N 3.26Å |
| 46 | K | 51.2 | Low | 53.5 | Low | 145 Ų | 145 | 130.2 Ų | 130.2 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.3 | -32.7 | 170.8 | -85.8 | -171.2 | -178.4 | -150.7 | 0 | 112.8 | K42 R43 E44 T50 | K42-K46 VanDerWaalsContact O-CB 3.28Å; K42-K46 WeakPolarHBondContact O-CB 3.15Å; K42-K46 WeakPolarHBondContact O-CG 3.19Å; K42-K46 PolarHBondContact O-N 3.23Å; R43-K46 PolarHBondContact O-N 3.34Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.5Å; K46-T50 PolarHBondContact O-OG1 3.05Å |
| 47 | L | 50.8 | Low | 53.2 | Low | 111 Ų | 111 | 129.5 Ų | 129.5 | 58% | 0.581 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.3 | -31 | 176.4 | -86.8 | 162.1 | 0 | 0 | 0 | 113.6 | R43 E44 Q45 T50 | R43-L47 PolarHBondContact O-N 2.64Å; R43-L47 VanDerWaalsContact O-N 3.13Å; E44-L47 CarbonylContact O-C 3.59Å; E44-L47 PolarHBondContact O-N 3.11Å; E44-L47 VanDerWaalsContact O-N 3.1Å; Q45-L47 VanDerWaalsContact C-N 3.31Å; Q45-L47 PolarHBondContact O-N 3.07Å; L47-T50 PolarHBondContact O-OG1 3.35Å |
| 48 | I | 51.2 | Low | 52.9 | Low | 110 Ų | 110 | 135.1 Ų | 135.1 | 56% | 0.564 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -84.6 | -38.2 | 178.8 | -61.4 | 163.3 | 0 | 0 | 0 | 111.1 | E44 Q45 T50 K51 T52 | E44-I48 VanDerWaalsContact O-CG1 3.26Å; E44-I48 WeakPolarHBondContact O-CG1 2.96Å; E44-I48 PolarHBondContact O-N 2.77Å; Q45-I48 PolarHBondContact O-N 3.21Å; I48-T50 VanDerWaalsContact C-N 3.26Å; I48-T50 PolarHBondContact O-N 3.27Å; I48-K51 PolarHBondContact O-N 3.19Å; I48-K51 VanDerWaalsContact O-N 3.17Å; I48-T52 PolarHBondContact O-N 3.46Å; I48-T52 PolarHBondContact O-OG1 2.96Å |
| 49 | S | 47.9 | Very low | 52.9 | Low | 83 Ų | 83 | 139 Ų | 139 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.7 | -22.7 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 113.1 | Q45 | Q45-S49 WeakPolarHBondContact O-CB 3.36Å; Q45-S49 PolarHBondContact O-N 3.26Å |
| 50 | T | 46.2 | Very low | 52.8 | Low | 105 Ų | 105 | 145.6 Ų | 145.6 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -13.2 | 173.9 | 27.5 | 0 | 0 | 0 | 0 | 113.9 | K46 L47 I48 | K46-T50 PolarHBondContact O-OG1 3.05Å; L47-T50 PolarHBondContact O-OG1 3.35Å; I48-T50 VanDerWaalsContact C-N 3.26Å; I48-T50 PolarHBondContact O-N 3.27Å |
| 51 | K | 50.8 | Low | 52.6 | Low | 183 Ų | 183 | 149.8 Ų | 149.8 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -9.4 | 177.7 | -73 | -166.7 | 176.6 | -178 | 0 | 114.5 | I48 | I48-K51 PolarHBondContact O-N 3.19Å; I48-K51 VanDerWaalsContact O-N 3.17Å |
| 52 | T | 49.8 | Very low | 52.1 | Low | 114 Ų | 114 | 151.7 Ų | 151.7 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -120.8 | 24.5 | -172.7 | -20.1 | 0 | 0 | 0 | 0 | 114.4 | I48 | I48-T52 PolarHBondContact O-N 3.46Å; I48-T52 PolarHBondContact O-OG1 2.96Å |
| 53 | D | 47.1 | Very low | 51.8 | Low | 139 Ų | 139 | 155 Ų | 155 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | -136.3 | 61.6 | 172.3 | -156.9 | -64.5 | 0 | 0 | 0 | 111.7 | ||||
| 54 | K | 54.3 | Low | 51.6 | Low | 195 Ų | 195 | 154.6 Ų | 154.6 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -142.1 | 37.3 | 170 | -74.2 | -162.9 | 178.7 | -179.4 | 0 | 113.1 | ||||
| 55 | K | 54.5 | Low | 51.3 | Low | 203 Ų | 203 | 157.2 Ų | 157.2 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -152.8 | 61.6 | 169.5 | -126.4 | -172.3 | -173 | -173.6 | 0 | 114.7 | ||
| 56 | K | 53 | Low | 51 | Low | 209 Ų | 209 | 161 Ų | 161 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -160.2 | 130.7 | 142.5 | -113.3 | 178.7 | -177.3 | -175.1 | 0 | 110.5 | ||
| 57 | A | 54.6 | Low | 51 | Low | 101 Ų | 101 | 160 Ų | 160 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 85.6 | 55.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 58 | E | 52.4 | Low | 50.6 | Low | 202 Ų | 202 | 162.4 Ų | 162.4 | 94% | 0.944 | 79% | 0.785 | S | S | * | * | trans | -89.5 | 87 | 141.9 | -168.3 | -159.6 | 149.8 | 0 | 0 | 108.4 | ||||
| 59 | K | 56.7 | Low | 50.1 | Low | 185 Ų | 185 | 164.7 Ų | 164.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -153.7 | 118.4 | 157.9 | -153.1 | 174.9 | -176 | 175.8 | 0 | 110.1 | ||||
| 60 | K | 56.5 | Low | 49.8 | Very low | 194 Ų | 194 | 164.4 Ų | 164.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 83.1 | 114.1 | 165 | -78.4 | 179.6 | 170 | -178.2 | 0 | 118.7 | ||||
| 61 | K | 52.8 | Low | 49.9 | Very low | 198 Ų | 198 | 166.3 Ų | 166.3 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | 85.3 | 96.8 | 126.8 | -164.3 | -171.2 | -175 | -172.5 | 0 | 117.2 | |||||
| 62 | N | 50.3 | Low | 49.7 | Very low | 151 Ų | 151 | 165 Ų | 165 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | -174.6 | 114.1 | 116.2 | 50.3 | 17.7 | 0 | 0 | 0 | 113.7 | |||||
| 63 | K | 49.5 | Very low | 49.5 | Very low | 216 Ų | 216 | 169 Ų | 169 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -85.1 | 99.8 | 155.5 | 173.4 | 179.6 | 179.5 | 175.7 | 0 | 107.1 | ||||
| 64 | K | 49.5 | Very low | 49.3 | Very low | 180 Ų | 180 | 171.7 Ų | 171.7 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | -174.4 | 130.9 | 154.2 | -136 | -178.3 | 173.3 | 170.7 | 0 | 112.9 | ||||
| 65 | K | 45 | Very low | 48.9 | Very low | 161 Ų | 161 | 166.4 Ų | 166.4 | 70% | 0.7 | 82% | 0.819 | S | S | * | * | trans | 82.8 | 75.8 | 158.5 | -53.6 | -161.5 | 177.6 | -173.8 | 0 | 117.7 | ||||
| 66 | E | 47.9 | Very low | 48.5 | Very low | 195 Ų | 195 | 163.1 Ų | 163.1 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -74.1 | 107.8 | 133.5 | 177.2 | -166.5 | 150.7 | 0 | 0 | 107.6 | ||||
| 67 | I | 49.9 | Very low | 48.4 | Very low | 125 Ų | 125 | 158.5 Ų | 158.5 | 64% | 0.641 | 81% | 0.805 | S | S | * | * | trans | -149.9 | 106 | 164.1 | -59.2 | -175.2 | 0 | 0 | 0 | 108.6 | ||||
| 68 | Q | 42.2 | Very low | 48 | Very low | 161 Ų | 161 | 161.3 Ų | 161.3 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | 71.3 | 110.3 | 129.8 | -148.6 | 171.5 | 54 | 0 | 0 | 120.1 | |||||
| 69 | N | 41.8 | Very low | 47.7 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 45.4 | 129.4 | 131.9 | -59.9 | -38.3 | 0 | 0 | 0 | 120.8 | ||||
| 70 | G | 42.1 | Very low | 47.3 | Very low | 77 Ų | 77 | 156.4 Ų | 156.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 177.7 | 89 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L72 | G70-L72 PolarHBondContact O-N 3.44Š| ||
| 71 | T | 47.8 | Very low | 47.2 | Very low | 145 Ų | 145 | 151 Ų | 151 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -52.9 | 115 | 153.2 | -67.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 72 | L | 46.4 | Very low | 47.1 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -165.6 | 127.6 | 150.9 | -151 | 69.4 | 0 | 0 | 0 | 112.4 | G70 | G70-L72 PolarHBondContact O-N 3.44Š| ||
| 73 | R | 44.2 | Very low | 47 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 85.7 | 85.2 | 146.5 | -117.3 | -179.9 | 159.6 | -160.8 | -7.7 | 118.1 | S75 | R73-S75 PolarHBondContact O-N 3.07Å; R73-S75 VanDerWaalsContact O-N 3.11Å | ||
| 74 | E | 42.8 | Very low | 46.8 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | -40.1 | 108.1 | 126.3 | -61 | -179.7 | 125.2 | 0 | 0 | 108.8 | |||||
| 75 | S | 46.5 | Very low | 47 | Very low | 84 Ų | 84 | 151 Ų | 151 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | -101.9 | 83.1 | 163.1 | -66.5 | 0 | 0 | 0 | 0 | 107.1 | R73 | R73-S75 PolarHBondContact O-N 3.07Å; R73-S75 VanDerWaalsContact O-N 3.11Å | ||
| 76 | D | 47.2 | Very low | 47.3 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -51.9 | 129.6 | 148.2 | -172.9 | 14.3 | 0 | 0 | 0 | 108.7 | ||||
| 77 | S | 51.2 | Low | 46.8 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -139.6 | 83.8 | 179 | 164.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 78 | E | 45.8 | Very low | 46.5 | Very low | 160 Ų | 160 | 147 Ų | 147 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -49.9 | 146.6 | 175.2 | -61.6 | 177 | 97.5 | 0 | 0 | 113.6 | ||||
| 79 | H | 45.9 | Very low | 46.3 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -29.1 | 130.9 | 157.9 | 138 | -73.4 | 0 | 0 | 0 | 115.3 | ||||
| 80 | V | 47 | Very low | 46.2 | Very low | 125 Ų | 125 | 141 Ų | 141 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -134.9 | 116.9 | 154.7 | 169.6 | 0 | 0 | 0 | 0 | 108 | R82 | V80-R82 PolarHBondContact O-N 3.36Š| ||
| 81 | P | 55.4 | Low | 46 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 51% | 0.513 | 76% | 0.763 | S | S | . | * | trans | -74.4 | 115.8 | 171.3 | 29.3 | -26.3 | 0 | 0 | 0 | 107.4 | D83 | P81-D83 PolarHBondContact O-N 3.15Š| ||
| 82 | R | 50.3 | Low | 45.9 | Very low | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 100.9 | 173.1 | -90.3 | -148 | -171.3 | -160.7 | 5.7 | 109.4 | V80 F84 | V80-R82 PolarHBondContact O-N 3.36Å; R82-F84 PolarHBondContact O-N 3.45Å | ||
| 83 | D | 49 | Very low | 45.7 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -51.5 | 116.7 | 152.6 | -62.1 | -62.1 | 0 | 0 | 0 | 109.8 | P81 | P81-D83 PolarHBondContact O-N 3.15Š| ||
| 84 | F | 44.7 | Very low | 45.6 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | trans | -136.3 | 94 | 162.9 | -150.4 | -93.3 | 0 | 0 | 0 | 108.8 | R82 | R82-F84 PolarHBondContact O-N 3.45Š| ||
| 85 | K | 54.5 | Low | 45.4 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -113.8 | 88.9 | -176.8 | -147 | -77.1 | -174.7 | -179.4 | 0 | 108.7 | ||||
| 86 | L | 49.9 | Very low | 44.8 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -162.3 | 131.8 | 164.8 | -68.5 | 176.6 | 0 | 0 | 0 | 105.6 | ||||
| 87 | S | 38.9 | Very low | 44.2 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | -164.6 | 146.9 | -5.9 | -80.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 88 | D | 43.5 | Very low | 43.4 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -6.4 | 124.5 | 150.8 | -166.1 | 21.8 | 0 | 0 | 0 | 118.7 | ||||
| 89 | A | 38.3 | Very low | 43.7 | Very low | 92 Ų | 92 | 143 Ų | 143 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -166.2 | 89.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 90 | S | 39.3 | Very low | 43 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -65.3 | 148.6 | 156.1 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 91 | P | 38.3 | Very low | 43.4 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | -129.2 | 122.6 | 121.2 | 33.3 | -23.6 | 0 | 0 | 0 | 110.2 | |||||
| 92 | A | 45.4 | Very low | 42.7 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -75.6 | 126.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 93 | E | 40.8 | Very low | 42.4 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -151.4 | 108.8 | 149.3 | -80.3 | -70.2 | 76.4 | 0 | 0 | 106.1 | ||||
| 94 | D | 43.4 | Very low | 42 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -69.5 | 125.2 | 159.7 | -86.9 | -76.7 | 0 | 0 | 0 | 108.8 | ||||
| 95 | E | 39.3 | Very low | 42.1 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -159.5 | 97.5 | 150.7 | -118.9 | 172.1 | 112.3 | 0 | 0 | 112.3 | ||||
| 96 | Q | 33 | Very low | 41.3 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | 63.3 | 110.8 | 120.5 | -162.4 | 163.3 | -20.5 | 0 | 0 | 120.8 | |||||
| 97 | F | 33.4 | Very low | 40.8 | Very low | 190 Ų | 190 | 132.4 Ų | 132.4 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | 44.2 | 118.9 | 135.1 | -83.1 | -106.1 | 0 | 0 | 0 | 120.4 | ||||
| 98 | V | 36.1 | Very low | 40.9 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | 169.3 | 132.3 | 103.3 | 161.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 99 | P | 50.8 | Low | 40.8 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -82.8 | 120.9 | 167.3 | 32.8 | -27.3 | 0 | 0 | 0 | 109.2 | ||||
| 100 | A | 32.6 | Very low | 40.9 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -113.7 | 127.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 101 | P | 54.3 | Low | 41.1 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 143.2 | -171.6 | 34.9 | -32.5 | 0 | 0 | 0 | 110.7 | ||||
| 102 | L | 40.4 | Very low | 41.5 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | -140.6 | 107.1 | 165.1 | -144.6 | 124.2 | 0 | 0 | 0 | 111.7 | V104 | L102-V104 PolarHBondContact O-N 2.88Š| ||
| 103 | N | 43.5 | Very low | 41.7 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -41.3 | 125.2 | 162 | -78.6 | -78.8 | 0 | 0 | 0 | 111.9 | ||||
| 104 | V | 41.7 | Very low | 42.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -127.1 | 95.4 | 142.8 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | L102 E106 | L102-V104 PolarHBondContact O-N 2.88Å; V104-E106 HydrophobicContact CG1-CG 3.82Å; V104-E106 PolarHBondContact O-N 2.98Å | ||
| 105 | A | 45.8 | Very low | 43.2 | Very low | 86 Ų | 86 | 144.4 Ų | 144.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -68.7 | 114.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 106 | E | 37.5 | Very low | 43.7 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -127 | 79.9 | 161.7 | -77.7 | -170.3 | 138.4 | 0 | 0 | 109.3 | V104 S108 | V104-E106 HydrophobicContact CG1-CG 3.82Å; V104-E106 PolarHBondContact O-N 2.98Å; E106-S108 PolarHBondContact O-N 3.35Å; E106-S108 VanDerWaalsContact O-N 3.14Å | ||
| 107 | T | 41.3 | Very low | 44.4 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -59.5 | 101.7 | 145.3 | 47.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 108 | S | 40.5 | Very low | 45.3 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -120.8 | 75 | 160.1 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | E106 | E106-S108 PolarHBondContact O-N 3.35Å; E106-S108 VanDerWaalsContact O-N 3.14Å | ||
| 109 | S | 40.6 | Very low | 46 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -58 | 142.1 | 148.3 | 75.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 110 | S | 39.8 | Very low | 45.8 | Very low | 106 Ų | 106 | 154.6 Ų | 154.6 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 114.3 | 133.1 | 139.3 | -151.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 111 | V | 44.1 | Very low | 46.1 | Very low | 109 Ų | 109 | 159.4 Ų | 159.4 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | 86.9 | 92.2 | 150.3 | -155.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 112 | R | 46.1 | Very low | 45.5 | Very low | 218 Ų | 218 | 163.3 Ų | 163.3 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | -167.5 | 72.1 | 109.8 | -130.3 | 170.8 | -179.4 | 160.3 | -1.5 | 113.5 | |||||
| 113 | E | 50.9 | Low | 45.5 | Very low | 187 Ų | 187 | 161 Ų | 161 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -96.7 | 114.2 | 162.8 | -160.8 | -176.7 | 160.9 | 0 | 0 | 108.4 | ||||
| 114 | R | 58.4 | Low | 44.8 | Very low | 201 Ų | 201 | 158.9 Ų | 158.9 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -144 | 86.9 | 169.2 | -69.9 | -168.7 | -176.1 | 134.3 | 5 | 112 | ||||
| 115 | K | 56.5 | Low | 44.3 | Very low | 207 Ų | 207 | 159.7 Ų | 159.7 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -148.7 | 76.8 | 139.6 | -149.3 | -177 | -175.6 | -175.6 | 0 | 111 | ||
| 116 | K | 50.7 | Low | 43.7 | Very low | 191 Ų | 191 | 163.4 Ų | 163.4 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | 30.2 | 101.7 | 146.8 | -164.5 | 176.6 | -176.9 | 178.5 | 0 | 118.6 | ||||
| 117 | K | 47.2 | Very low | 43.4 | Very low | 206 Ų | 206 | 163.4 Ų | 163.4 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | -152.4 | 104.3 | 123.9 | -168.5 | 172.4 | -179.4 | 179.8 | 0 | 108.9 | |||||
| 118 | E | 51.9 | Low | 42.9 | Very low | 176 Ų | 176 | 163.9 Ų | 163.9 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 134.3 | -179.3 | -64.4 | 173.1 | 104.5 | 0 | 0 | 112.1 | ||||
| 119 | K | 51.7 | Low | 42.2 | Very low | 203 Ų | 203 | 164.3 Ų | 164.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -155.5 | 91.9 | 139.1 | -160.9 | 173.7 | 178.7 | -177.1 | 0 | 110.6 | ||||
| 120 | K | 45.5 | Very low | 41.8 | Very low | 201 Ų | 201 | 166.1 Ų | 166.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 38.1 | 110.2 | 153.9 | -57.7 | -159.5 | 176 | -168.5 | 0 | 119.2 | ||||
| 121 | Q | 39.9 | Very low | 41.6 | Very low | 192 Ų | 192 | 169.5 Ų | 169.5 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -71.2 | 146.3 | 144.3 | -82 | 176.5 | -32.7 | 0 | 0 | 110.6 | ||||
| 122 | K | 42.2 | Very low | 41.1 | Very low | 202 Ų | 202 | 172.1 Ų | 172.1 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -133 | 139.5 | 140 | -91 | -168.6 | 175.7 | -170.8 | 0 | 108.5 | ||||
| 123 | P | 40.5 | Very low | 40.7 | Very low | 116 Ų | 116 | 166.6 Ų | 166.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -92.5 | 163.1 | 178.1 | 38.2 | -33.1 | 0 | 0 | 0 | 111.9 | ||||
| 124 | S | 27.9 | Very low | 39.8 | Very low | 103 Ų | 103 | 165.1 Ų | 165.1 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 67.8 | 118 | 138.2 | -165 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 125 | L | 31.3 | Very low | 38.6 | Very low | 131 Ų | 131 | 159.3 Ų | 159.3 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | 79 | 113.1 | 123.7 | -162.2 | 147.4 | 0 | 0 | 0 | 118.8 | |||||
| 126 | E | 33.9 | Very low | 37.7 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | 53.1 | 155.8 | 136.4 | -59.1 | 170.1 | 167.3 | 0 | 0 | 121.2 | ||||
| 127 | E | 30 | Very low | 37 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 90.4 | 124.1 | 166.4 | -108.9 | -173.4 | 110.8 | 0 | 0 | 119 | ||||
| 128 | Q | 30.7 | Very low | 36.7 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 88.2 | 103.2 | 149.9 | -64.4 | -171.1 | 23.7 | 0 | 0 | 117.2 | ||||
| 129 | V | 26.9 | Very low | 36.3 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | 89.2 | 121.1 | 73.1 | 157.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 130 | I | 32.8 | Very low | 35.4 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 66.8 | 107.2 | 155.1 | -59.2 | 163.4 | 0 | 0 | 0 | 116.9 | ||||
| 131 | K | 35.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 144 Ų | 144 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 175.6 | 119.8 | 103.7 | -127.1 | 161.8 | 179.8 | -179.1 | 0 | 112.2 | |||||
| 132 | E | 32.3 | Very low | 34.7 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | 21.8 | 114.9 | 138.4 | -63.2 | -173.6 | 134.5 | 0 | 0 | 117.8 | ||||
| 133 | S | 38.2 | Very low | 34.6 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | 45.7 | 109.9 | 85.7 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 134 | D | 32.7 | Very low | 34.3 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | 173.6 | 146.2 | 119.7 | -164.7 | -124.5 | 0 | 0 | 0 | 112.8 | |||||
| 135 | A | 33.5 | Very low | 35.2 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | trans | 50.9 | 120.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 136 | S | 37.7 | Very low | 35.6 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | -179.9 | 142.1 | 90.3 | -168.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 137 | K | 35.2 | Very low | 36.3 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -79.3 | 133.6 | -175 | -72.7 | 167.2 | 172.2 | 173.3 | 0 | 112.5 | ||||
| 138 | I | 40.2 | Very low | 36.7 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | 27.3 | 133.7 | 128.4 | -29.7 | 172.4 | 0 | 0 | 0 | 116.3 | |||||
| 139 | P | 43.8 | Very low | 37.3 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | -154 | 158.3 | 56 | 40.3 | -17.8 | 0 | 0 | 0 | 120.7 | |||||
| 140 | G | 33.1 | Very low | 38.1 | Very low | 68 Ų | 68 | 142.6 Ų | 142.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | 103.4 | 102 | 125.4 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 141 | K | 34.5 | Very low | 38.7 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | 83.4 | 124.1 | 139.3 | -82.4 | 178.6 | 174.5 | 175.5 | 0 | 120.5 | ||||
| 142 | K | 36.8 | Very low | 39.2 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | 76.8 | 97.2 | 157.6 | -66.4 | -165.6 | 174.6 | -169.3 | 0 | 115.7 | ||||
| 143 | V | 39.8 | Very low | 39.7 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | -158 | 124.5 | 101.7 | 172.7 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 144 | E | 34.9 | Very low | 40.6 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -86.9 | 138.2 | 168.4 | -175.1 | 173.6 | -179.2 | 0 | 0 | 108.4 | V146 | E144-V146 HydrophobicContact CG-CG2 4.33Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.01Å | ||
| 145 | P | 45.1 | Very low | 42.3 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -135 | 115.4 | 117.9 | 30 | -15.5 | 0 | 0 | 0 | 111.7 | L147 | P145-L147 PolarHBondContact O-N 3.3Š| |||
| 146 | V | 40.6 | Very low | 43.4 | Very low | 103 Ų | 103 | 139 Ų | 139 | 62% | 0.624 | 78% | 0.784 | S | S | * | * | trans | 6.6 | 100.6 | 146 | -173.4 | 0 | 0 | 0 | 0 | 115.3 | E144 V148 | E144-V146 HydrophobicContact CG-CG2 4.33Å; E144-V146 WeakPolarHBondContact OE1-CG2 3.01Å; V146-V148 HydrophobicContact CG1-CG2 4.36Å | ||
| 147 | L | 47.7 | Very low | 44 | Very low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -119.4 | 95.6 | 153.3 | -77.1 | 174.3 | 0 | 0 | 0 | 106.9 | P145 | P145-L147 PolarHBondContact O-N 3.3Š| ||
| 148 | V | 40.3 | Very low | 44.8 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | -127.2 | 95.7 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | V146 | V146-V148 HydrophobicContact CG1-CG2 4.36Š| ||
| 149 | T | 42.9 | Very low | 45.1 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | trans | 57.6 | 144.4 | 135.9 | 66.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 150 | K | 43.7 | Very low | 45.2 | Very low | 202 Ų | 202 | 138.3 Ų | 138.3 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | 175.7 | 79.3 | 123.7 | -73.7 | -124 | 179.7 | -178.7 | 0 | 112.1 | |||||
| 151 | Q | 45.3 | Very low | 45.5 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -161.7 | 157.9 | 143.4 | -126.3 | -163.3 | -14.8 | 0 | 0 | 107 | ||||
| 152 | P | 45.2 | Very low | 45.8 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | cis | -137.5 | 161.3 | -2.9 | 38.5 | -20.7 | 0 | 0 | 0 | 114.8 | ||||
| 153 | A | 43.1 | Very low | 46 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | 167.9 | 140.8 | 140.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 154 | P | 56.6 | Low | 46.2 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 157.7 | 171.9 | 34.3 | -33 | 0 | 0 | 0 | 112.2 | ||
| 155 | P | 67.7 | Low | 46.7 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 148.7 | 177.2 | 28.8 | -32.9 | 0 | 0 | 0 | 112.9 | ||
| 156 | P | 57.9 | Low | 46.8 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 161.4 | -176.2 | 33 | -35.2 | 0 | 0 | 0 | 113.6 | ||
| 157 | P | 49.6 | Very low | 47.1 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 133.7 | 177 | 34.3 | -28.9 | 0 | 0 | 0 | 110.6 | ||
| 158 | L | 51.4 | Low | 46.9 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -123.7 | 105.3 | 163.3 | -155.4 | 77.7 | 0 | 0 | 0 | 109 | ||||
| 159 | E | 47.6 | Very low | 47.1 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -69.2 | 158.7 | 163.3 | -74.2 | -159.9 | 141.9 | 0 | 0 | 111.5 | ||||
| 160 | A | 45.9 | Very low | 47.2 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 75.6 | 98.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 161 | A | 39.8 | Very low | 47.6 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | -171.4 | 128.1 | 109.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 162 | A | 39.9 | Very low | 48 | Very low | 85 Ų | 85 | 137.1 Ų | 137.1 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | 66.7 | 141 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 163 | L | 41.6 | Very low | 48.7 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | cis | -176.1 | 137.6 | 16.8 | -137.8 | 77.7 | 0 | 0 | 0 | 105.4 | ||||
| 164 | K | 43.8 | Very low | 49.2 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | 55.2 | 121 | 137.4 | -70.5 | 179.4 | -177.5 | -175.7 | 0 | 121.4 | ||||
| 165 | K | 45.7 | Very low | 49 | Very low | 202 Ų | 202 | 142.9 Ų | 142.9 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | 37.8 | 121.6 | 128.2 | -81.3 | -172.3 | 170.8 | -178.4 | 0 | 118.1 | |||||
| 166 | K | 45.8 | Very low | 47.8 | Very low | 213 Ų | 213 | 146.4 Ų | 146.4 | 93% | 0.926 | 84% | 0.841 | S | S | * | * | -148.2 | 123.7 | 122.9 | -112.3 | -173.1 | -177.9 | -175.2 | 0 | 112.1 | |||||
| 167 | A | 47.7 | Very low | 47.3 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -87.9 | 157 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 168 | G | 43.6 | Very low | 47.2 | Very low | 72 Ų | 72 | 149 Ų | 149 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | trans | 137.7 | 87.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 169 | Q | 45 | Very low | 47 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | 66.9 | 128.1 | 75 | -144.3 | -162.4 | 37 | 0 | 0 | 115 | |||||
| 170 | K | 44.8 | Very low | 47 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 75% | 0.752 | 84% | 0.842 | S | S | * | * | trans | 86.8 | 112.9 | 161 | -55.8 | -171.9 | 179.4 | 176.1 | 0 | 118.1 | ||||
| 171 | K | 51.6 | Low | 47 | Very low | 192 Ų | 192 | 148.6 Ų | 148.6 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | -171.4 | 121.6 | 84.9 | -93.3 | -173.6 | -179.2 | 179.5 | 0 | 111.1 | |||||
| 172 | S | 53.9 | Low | 47.5 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -69.8 | 145 | 149.5 | 49.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 173 | K | 58.6 | Low | 48 | Very low | 198 Ų | 198 | 157.1 Ų | 157.1 | 86% | 0.861 | 86% | 0.859 | S | S | * | * | trans | -133 | 111.9 | 165.5 | -128.9 | -180 | 179.9 | -174.4 | 0 | 107.4 | ||||
| 174 | N | 54.1 | Low | 48.5 | Very low | 164 Ų | 164 | 158.3 Ų | 158.3 | 88% | 0.877 | 87% | 0.868 | S | S | * | * | trans | -61.4 | 154.5 | 167.7 | -88.5 | -3.3 | 0 | 0 | 0 | 111.2 | ||||
| 175 | G | 53.1 | Low | 48.9 | Very low | 78 Ų | 78 | 156.5 Ų | 156.5 | 80% | 0.804 | 88% | 0.875 | S | S | * | * | trans | 115.5 | 98.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 176 | S | 43.3 | Very low | 49.2 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 100% | 1.371 | 88% | 0.875 | S | S | * | * | -160.2 | 0 | 105 | -161.8 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 176 of 176 residues in 219.7 ms
(Link to these results)