| 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 | 38.6 | Very low | 56.5 | Low | 236 Ų | 236 | 132.4 Ų | 132.4 | 100% | 1.163 | 69% | 0.693 | S | S | * | * | 0 | 101.5 | 0 | -71.6 | -163.8 | -172.5 | 0 | 0 | 105.2 | E3 | M1-E3 PolarHBondContact O-N 3.06Š| |||
| 2 | D | 39.2 | Very low | 59 | Low | 164 Ų | 164 | 127.5 Ų | 127.5 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | trans | -82.3 | 105.7 | -178.1 | -59.8 | -64.2 | 0 | 0 | 0 | 107.9 | E4 | D2-E4 PolarHBondContact O-N 3.42Š| ||
| 3 | E | 48.1 | Very low | 61.4 | Low | 191 Ų | 191 | 123.9 Ų | 123.9 | 89% | 0.893 | 65% | 0.654 | S | S | * | * | trans | -77.1 | 102.1 | 172.6 | -73 | -155.3 | 163.9 | 0 | 0 | 109.3 | M1 R5 | M1-E3 PolarHBondContact O-N 3.06Å; E3-R5 PolarHBondContact O-N 3.32Å | ||
| 4 | E | 47.8 | Very low | 63.2 | Low | 182 Ų | 182 | 120.4 Ų | 120.4 | 85% | 0.85 | 64% | 0.635 | S | S | * | * | trans | -57.4 | 101.7 | 164 | -77.1 | -172.4 | 146.4 | 0 | 0 | 109.4 | D2 S6 | D2-E4 PolarHBondContact O-N 3.42Å; E4-S6 PolarHBondContact O-N 3.38Å | ||
| 5 | R | 46.4 | Very low | 65.2 | Low | 247 Ų | 247 | 115.1 Ų | 115.1 | 93% | 0.932 | 61% | 0.605 | S | S | * | * | trans | -66.9 | 79.3 | 165.6 | -121.3 | 176.3 | -178.6 | -130.4 | -0.3 | 108.5 | E3 G7 | E3-R5 PolarHBondContact O-N 3.32Å; R5-G7 PolarHBondContact O-N 3.02Å | ||
| 6 | S | 47.1 | Very low | 66.9 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 77% | 0.769 | 61% | 0.608 | S | S | * | * | trans | -60.7 | 96.5 | 170.9 | 57.2 | 0 | 0 | 0 | 0 | 108.9 | E4 S8 | E4-S6 PolarHBondContact O-N 3.38Å; S6-S8 PolarHBondContact O-N 3.13Å; S6-S8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | G | 60.6 | Low | 68.5 | Low | 35 Ų | 35 | 116.5 Ų | 116.5 | 36% | 0.361 | 61% | 0.61 | S | S | . | * | trans | -79.3 | 93.8 | -159.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R5 R34 | R5-G7 PolarHBondContact O-N 3.02Å; G7-R34 PolarHBondContact O-NE 2.92Å; G7-R34 PolarHBondContact O-NH2 3.2Å | ||
| 8 | S | 57.4 | Low | 69.7 | Low | 93 Ų | 93 | 116.9 Ų | 116.9 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 130.6 | 141.1 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | S6 D10 | S6-S8 PolarHBondContact O-N 3.13Å; S6-S8 VanDerWaalsContact O-N 3.13Å; S8-D10 PolarHBondContact O-N 3.4Å; S8-D10 VanDerWaalsContact O-N 3.13Å |
| 9 | P | 66.9 | Low | 70.9 | Confident | 58 Ų | 58 | 114.3 Ų | 114.3 | 38% | 0.377 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -65 | 116.1 | 172.8 | 23.8 | -29 | 0 | 0 | 0 | 108.6 | L11 L30 | P9-L11 PolarHBondContact O-N 3.46Å; P9-L30 HydrophobicContact CB-CD2 3.93Å; P9-L30 HydrophobicContact CB-CG 4.49Å; P9-L30 HydrophobicContact CG-CB 4.5Å; P9-L30 HydrophobicContact CG-CD1 4.02Å; P9-L30 HydrophobicContact CG-CD2 3.14Å; P9-L30 HydrophobicContact CG-CG 3.28Å |
| 10 | D | 82.3 | Confident | 71.9 | Confident | 116 Ų | 116 | 119 Ų | 119 | 62% | 0.62 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 117.6 | 174.3 | -176.9 | 7.5 | 0 | 0 | 0 | 109.2 | S8 T12 | S8-D10 PolarHBondContact O-N 3.4Å; S8-D10 VanDerWaalsContact O-N 3.13Å; D10-T12 VanDerWaalsContact OD1-CB 3.28Å; D10-T12 WeakPolarHBondContact OD1-CB 3.21Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.27Å; D10-T12 PolarHBondContact OD1-N 3.29Å; D10-T12 PolarHBondContact OD1-OG1 3.04Å; D10-T12 PolarHBondContact OD2-OG1 3.01Å |
| 11 | L | 86.8 | Confident | 72.9 | Confident | 24 Ų | 24 | 120.6 Ų | 120.6 | 13% | 0.126 | 63% | 0.627 | C | S | . | * | trans | -98.8 | 4.7 | -177.9 | -57.5 | 174.7 | 0 | 0 | 0 | 112 | P9 D13 I14 E15 V22 L26 V27 L30 | P9-L11 PolarHBondContact O-N 3.46Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.46Å; L11-I14 HydrophobicContact CD2-CD1 3.87Å; L11-I14 WeakPolarHBondContact O-CB 3.04Å; L11-I14 PolarHBondContact O-N 3.15Å; L11-I14 VanDerWaalsContact O-N 3.07Å; L11-E15 PolarHBondContact O-N 2.91Å; L11-E15 VanDerWaalsContact O-N 3.1Å; L11-V22 HydrophobicContact CB-CG2 4.2Å; L11-V22 HydrophobicContact CD1-CG1 3.93Å; L11-L26 HydrophobicContact CD1-CD2 3.83Å; L11-V27 HydrophobicContact CD1-CG2 4.18Å; L11-L30 HydrophobicContact CD1-CD2 4.25Å; L11-L30 HydrophobicContact CD2-CD2 4.19Å | ||
| 12 | T | 87.1 | Confident | 75.2 | Confident | 74 Ų | 74 | 110.1 Ų | 110.1 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.4 | -39.2 | -179.5 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | D10 I14 E15 T16 | D10-T12 VanDerWaalsContact OD1-CB 3.28Å; D10-T12 WeakPolarHBondContact OD1-CB 3.21Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.27Å; D10-T12 PolarHBondContact OD1-N 3.29Å; D10-T12 PolarHBondContact OD1-OG1 3.04Å; D10-T12 PolarHBondContact OD2-OG1 3.01Å; T12-I14 PolarHBondContact O-N 3.06Å; T12-E15 PolarHBondContact O-N 3.33Å; T12-T16 WeakPolarHBondContact O-CG2 3.48Å; T12-T16 PolarHBondContact O-N 3.32Å; T12-T16 PolarHBondContact O-OG1 2.93Å |
| 13 | D | 89.5 | Confident | 77.7 | Confident | 81 Ų | 81 | 106.6 Ų | 106.6 | 43% | 0.433 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.1 | -32.6 | 175 | -178.6 | 57.4 | 0 | 0 | 0 | 112.5 | L11 T16 K17 | L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.46Å; D13-T16 WeakPolarHBondContact CA-OG1 3.35Å; D13-T16 PolarHBondContact O-OG1 3.19Å; D13-K17 VanDerWaalsContact O-CB 3.3Å; D13-K17 WeakPolarHBondContact O-CB 3.44Å; D13-K17 WeakPolarHBondContact O-CD 3.38Å; D13-K17 VanDerWaalsContact O-CG 3.23Å; D13-K17 WeakPolarHBondContact O-CG 3.09Å; D13-K17 PolarHBondContact O-N 2.94Å; D13-K17 VanDerWaalsContact OD1-CE 3.25Å; D13-K17 WeakPolarHBondContact OD1-CE 3.36Å; D13-K17 IonicContact OD1-NZ 3.35Å; D13-K17 PolarHBondContact OD1-NZ 3.41Å; D13-K17 WeakPolarHBondContact OD2-CE 3.32Å; D13-K17 IonicContact OD2-NZ 2.73Å; D13-K17 PolarHBondContact OD2-NZ 2.89Å |
| 14 | I | 87.8 | Confident | 79.3 | Confident | 75 Ų | 75 | 103.1 Ų | 103.1 | 39% | 0.385 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -76.1 | -39.4 | 178.5 | -59.6 | 175.8 | 0 | 0 | 0 | 110.1 | L11 T12 T16 K17 L18 V22 | L11-I14 HydrophobicContact CD2-CD1 3.87Å; L11-I14 WeakPolarHBondContact O-CB 3.04Å; L11-I14 PolarHBondContact O-N 3.15Å; L11-I14 VanDerWaalsContact O-N 3.07Å; T12-I14 PolarHBondContact O-N 3.06Å; I14-T16 VanDerWaalsContact C-N 3.33Å; I14-T16 PolarHBondContact O-N 2.83Å; I14-K17 PolarHBondContact O-N 2.75Å; I14-L18 HydrophobicContact CG2-CD1 3.82Å; I14-L18 HydrophobicContact CG2-CG 4.2Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.5Å; I14-V22 HydrophobicContact CG2-CG2 4.42Å |
| 15 | E | 92.1 | Very high | 81.1 | Confident | 41 Ų | 41 | 96.9 Ų | 96.9 | 19% | 0.192 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.2 | -67.3 | -175.5 | 179.5 | 0 | 0 | 111.9 | L11 T12 G19 R20 K21 V22 | L11-E15 PolarHBondContact O-N 2.91Å; L11-E15 VanDerWaalsContact O-N 3.1Å; T12-E15 PolarHBondContact O-N 3.33Å; E15-G19 WeakPolarHBondContact O-CA 3.48Å; E15-G19 PolarHBondContact O-N 3.1Å; E15-R20 WeakPolarHBondContact CA-O 3.46Å; E15-R20 PolarHBondContact O-N 3.36Å; E15-K21 VanDerWaalsContact OE1-CD 3.28Å; E15-K21 WeakPolarHBondContact OE1-CD 3.43Å; E15-K21 IonicContact OE1-NZ 2.75Å; E15-K21 WeakPolarHBondContact OE2-CD 3.37Å; E15-K21 IonicContact OE2-NZ 2.72Å; E15-K21 PolarHBondContact OE2-NZ 2.91Å; E15-V22 HydrophobicContact CG-CB 4.21Å; E15-V22 HydrophobicContact CG-CG2 3.68Å; E15-V22 PolarHBondContact OE1-N 3.48Å |
| 16 | T | 93.1 | Very high | 82.8 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 64% | 0.644 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.6 | -40.5 | 179 | 57 | 0 | 0 | 0 | 0 | 111.5 | T12 D13 I14 | T12-T16 WeakPolarHBondContact O-CG2 3.48Å; T12-T16 PolarHBondContact O-N 3.32Å; T12-T16 PolarHBondContact O-OG1 2.93Å; D13-T16 WeakPolarHBondContact CA-OG1 3.35Å; D13-T16 PolarHBondContact O-OG1 3.19Å; I14-T16 VanDerWaalsContact C-N 3.33Å; I14-T16 PolarHBondContact O-N 2.83Å |
| 17 | K | 93.2 | Very high | 84.6 | Confident | 148 Ų | 148 | 87.3 Ų | 87.3 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.3 | -37.2 | 177.9 | -78.7 | 173.1 | 177.2 | 166.8 | 0 | 113.9 | D13 I14 | D13-K17 VanDerWaalsContact O-CB 3.3Å; D13-K17 WeakPolarHBondContact O-CB 3.44Å; D13-K17 WeakPolarHBondContact O-CD 3.38Å; D13-K17 VanDerWaalsContact O-CG 3.23Å; D13-K17 WeakPolarHBondContact O-CG 3.09Å; D13-K17 PolarHBondContact O-N 2.94Å; D13-K17 VanDerWaalsContact OD1-CE 3.25Å; D13-K17 WeakPolarHBondContact OD1-CE 3.36Å; D13-K17 IonicContact OD1-NZ 3.35Å; D13-K17 PolarHBondContact OD1-NZ 3.41Å; D13-K17 WeakPolarHBondContact OD2-CE 3.32Å; D13-K17 IonicContact OD2-NZ 2.73Å; D13-K17 PolarHBondContact OD2-NZ 2.89Å; I14-K17 PolarHBondContact O-N 2.75Å |
| 18 | L | 91 | Very high | 85.6 | Confident | 124 Ų | 124 | 94.7 Ų | 94.7 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -94.1 | -8.5 | -177.4 | -58.8 | -171.9 | 0 | 0 | 0 | 113.3 | I14 R20 | I14-L18 HydrophobicContact CG2-CD1 3.82Å; I14-L18 HydrophobicContact CG2-CG 4.2Å; I14-L18 WeakPolarHBondContact O-CB 3.41Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.5Å; L18-R20 PolarHBondContact O-N 2.96Å |
| 19 | G | 92.3 | Very high | 86.6 | Confident | 68 Ų | 68 | 94.7 Ų | 94.7 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 21.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E15 | E15-G19 WeakPolarHBondContact O-CA 3.48Å; E15-G19 PolarHBondContact O-N 3.1Å |
| 20 | R | 91.3 | Very high | 87.2 | Confident | 207 Ų | 207 | 95.9 Ų | 95.9 | 78% | 0.781 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -139.6 | 138.4 | -176.9 | -67.7 | -175.2 | -175.9 | -118.5 | 0.8 | 109.9 | E15 L18 | E15-R20 WeakPolarHBondContact CA-O 3.46Å; E15-R20 PolarHBondContact O-N 3.36Å; L18-R20 PolarHBondContact O-N 2.96Å |
| 21 | K | 92.6 | Very high | 86.9 | Confident | 154 Ų | 154 | 93.4 Ų | 93.4 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 135.2 | 176.7 | -176.8 | 63.1 | 69.8 | -167.2 | 0 | 109.9 | E15 | E15-K21 VanDerWaalsContact OE1-CD 3.28Å; E15-K21 WeakPolarHBondContact OE1-CD 3.43Å; E15-K21 IonicContact OE1-NZ 2.75Å; E15-K21 WeakPolarHBondContact OE2-CD 3.37Å; E15-K21 IonicContact OE2-NZ 2.72Å; E15-K21 PolarHBondContact OE2-NZ 2.91Å |
| 22 | V | 87.9 | Confident | 85.7 | Confident | 15 Ų | 15 | 94.8 Ų | 94.8 | 9% | 0.091 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 133.1 | 173.7 | 171.9 | 0 | 0 | 0 | 0 | 108.6 | L11 I14 E15 D24 L26 V27 | L11-V22 HydrophobicContact CB-CG2 4.2Å; L11-V22 HydrophobicContact CD1-CG1 3.93Å; I14-V22 HydrophobicContact CG2-CG2 4.42Å; E15-V22 HydrophobicContact CG-CB 4.21Å; E15-V22 HydrophobicContact CG-CG2 3.68Å; E15-V22 PolarHBondContact OE1-N 3.48Å; V22-D24 PolarHBondContact O-N 3.32Å; V22-L26 HydrophobicContact CG1-CB 4.13Å; V22-L26 HydrophobicContact CG1-CD2 3.68Å; V22-L26 HydrophobicContact CG1-CG 4.46Å; V22-V27 HydrophobicContact CB-CG2 4.39Å; V22-V27 HydrophobicContact CG1-CG2 3.89Å |
| 23 | P | 89.9 | Confident | 84.2 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 132.9 | 178.6 | -25.3 | 33.9 | 0 | 0 | 0 | 112.4 | G25 L26 V27 | P23-G25 PolarHBondContact O-N 2.73Å; P23-L26 WeakPolarHBondContact O-CB 3.25Å; P23-L26 PolarHBondContact O-N 3.11Å; P23-V27 PolarHBondContact O-N 3.3Å |
| 24 | D | 83.5 | Confident | 82.6 | Confident | 118 Ų | 118 | 99 Ų | 99 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55.4 | -30.6 | -178.3 | -61.6 | -32.2 | 0 | 0 | 0 | 113.2 | V22 L26 V27 R28 | V22-D24 PolarHBondContact O-N 3.32Å; D24-L26 VanDerWaalsContact C-N 3.28Å; D24-L26 PolarHBondContact O-N 3.26Å; D24-V27 PolarHBondContact O-N 3.13Å; D24-R28 VanDerWaalsContact O-CB 3.24Å; D24-R28 WeakPolarHBondContact O-CB 3.44Å; D24-R28 PolarHBondContact O-N 3.11Å |
| 25 | G | 83.5 | Confident | 80.8 | Confident | 52 Ų | 52 | 106.9 Ų | 106.9 | 54% | 0.536 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.3 | -34.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P23 S29 | P23-G25 PolarHBondContact O-N 2.73Å; G25-S29 VanDerWaalsContact O-CB 3.27Å; G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 3.19Å |
| 26 | L | 83.5 | Confident | 78.5 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.7 | -43.3 | 178.1 | -168.3 | 137.2 | 0 | 0 | 0 | 111 | L11 V22 P23 D24 R28 S29 L30 | L11-L26 HydrophobicContact CD1-CD2 3.83Å; V22-L26 HydrophobicContact CG1-CB 4.13Å; V22-L26 HydrophobicContact CG1-CD2 3.68Å; V22-L26 HydrophobicContact CG1-CG 4.46Å; P23-L26 WeakPolarHBondContact O-CB 3.25Å; P23-L26 PolarHBondContact O-N 3.11Å; D24-L26 VanDerWaalsContact C-N 3.28Å; D24-L26 PolarHBondContact O-N 3.26Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.35Å; L26-S29 PolarHBondContact O-N 3.35Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 PolarHBondContact O-N 3.48Å |
| 27 | V | 84.3 | Confident | 76.3 | Confident | 63 Ų | 63 | 111.6 Ų | 111.6 | 38% | 0.382 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -56.8 | -48.1 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | L11 V22 P23 D24 L30 A31 | L11-V27 HydrophobicContact CD1-CG2 4.18Å; V22-V27 HydrophobicContact CB-CG2 4.39Å; V22-V27 HydrophobicContact CG1-CG2 3.89Å; P23-V27 PolarHBondContact O-N 3.3Å; D24-V27 PolarHBondContact O-N 3.13Å; V27-L30 PolarHBondContact O-N 2.93Å; V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 3.23Å; V27-A31 PolarHBondContact O-N 2.91Å |
| 28 | R | 81.9 | Confident | 73.9 | Confident | 190 Ų | 190 | 115.1 Ų | 115.1 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.4 | -41.9 | 179 | -172.5 | -174.4 | -57.7 | -178.3 | 2 | 112.8 | D24 L26 L30 G32 | D24-R28 VanDerWaalsContact O-CB 3.24Å; D24-R28 WeakPolarHBondContact O-CB 3.44Å; D24-R28 PolarHBondContact O-N 3.11Å; L26-R28 VanDerWaalsContact C-N 3.32Å; L26-R28 PolarHBondContact O-N 3.35Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3.2Å; R28-G32 PolarHBondContact O-N 2.87Å |
| 29 | S | 79.4 | Confident | 71.6 | Confident | 92 Ų | 92 | 117 Ų | 117 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.2 | -43.2 | 178.4 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | G25 L26 | G25-S29 VanDerWaalsContact O-CB 3.27Å; G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 3.19Å; L26-S29 PolarHBondContact O-N 3.35Å |
| 30 | L | 77.9 | Confident | 69.1 | Low | 83 Ų | 83 | 119.9 Ų | 119.9 | 44% | 0.435 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.4 | -34.7 | -177.2 | -167.9 | 58.1 | 0 | 0 | 0 | 112.6 | P9 L11 L26 V27 R28 | P9-L30 HydrophobicContact CB-CD2 3.93Å; P9-L30 HydrophobicContact CB-CG 4.49Å; P9-L30 HydrophobicContact CG-CB 4.5Å; P9-L30 HydrophobicContact CG-CD1 4.02Å; P9-L30 HydrophobicContact CG-CD2 3.14Å; P9-L30 HydrophobicContact CG-CG 3.28Å; L11-L30 HydrophobicContact CD1-CD2 4.25Å; L11-L30 HydrophobicContact CD2-CD2 4.19Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 PolarHBondContact O-N 3.48Å; V27-L30 PolarHBondContact O-N 2.93Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3.2Å |
| 31 | A | 76.3 | Confident | 66.6 | Low | 65 Ų | 65 | 117.4 Ų | 117.4 | 54% | 0.537 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.6 | -33.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V27 G33 | V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 3.23Å; V27-A31 PolarHBondContact O-N 2.91Å; A31-G33 VanDerWaalsContact C-N 3.25Å; A31-G33 PolarHBondContact O-N 2.74Å |
| 32 | G | 61.8 | Low | 63.9 | Low | 53 Ų | 53 | 116.3 Ų | 116.3 | 55% | 0.546 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.2 | -5.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R28 | R28-G32 PolarHBondContact O-N 2.87Š|
| 33 | G | 56.2 | Low | 62 | Low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -5.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | A31 | A31-G33 VanDerWaalsContact C-N 3.25Å; A31-G33 PolarHBondContact O-N 2.74Å |
| 34 | R | 56 | Low | 59.7 | Low | 178 Ų | 178 | 126.4 Ų | 126.4 | 67% | 0.672 | 66% | 0.664 | S | S | * | * | trans | -115.6 | 71.8 | 176.2 | -62.9 | -163.9 | -137.2 | -99.3 | 1.8 | 111.5 | G7 S36 | G7-R34 PolarHBondContact O-NE 2.92Å; G7-R34 PolarHBondContact O-NH2 3.2Å; R34-S36 PolarHBondContact O-N 3.42Å | ||
| 35 | R | 49 | Very low | 57.6 | Low | 242 Ų | 242 | 124.9 Ų | 124.9 | 91% | 0.913 | 67% | 0.668 | S | S | * | * | trans | -79.1 | 95.7 | 160.4 | -73.8 | -171 | 170.4 | -121 | -2.4 | 108 | D37 | R35-D37 PolarHBondContact O-N 2.72Š| ||
| 36 | S | 44.5 | Very low | 55.7 | Low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -61.3 | 122.7 | 160.1 | -174.3 | 0 | 0 | 0 | 0 | 107.5 | R34 R38 | R34-S36 PolarHBondContact O-N 3.42Å; S36-R38 PolarHBondContact O-N 2.96Å | ||
| 37 | D | 46.7 | Very low | 53.9 | Low | 142 Ų | 142 | 128 Ų | 128 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | -53.2 | 115.4 | 166.6 | 179.4 | 24.3 | 0 | 0 | 0 | 110.3 | R35 | R35-D37 PolarHBondContact O-N 2.72Š| ||
| 38 | R | 43.1 | Very low | 52 | Low | 223 Ų | 223 | 133.1 Ų | 133.1 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | trans | -176.1 | 102 | 154.9 | -105.5 | 172.3 | -96.8 | -115.9 | 7.3 | 111.2 | S36 | S36-R38 PolarHBondContact O-N 2.96Š| ||
| 39 | H | 42.6 | Very low | 50.4 | Low | 162 Ų | 162 | 131.3 Ų | 131.3 | 75% | 0.75 | 72% | 0.716 | S | S | * | * | trans | -13.8 | 143.7 | 140.8 | -110.3 | -132.1 | 0 | 0 | 0 | 114.5 | ||||
| 40 | E | 39.1 | Very low | 48.7 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | cis | -166.5 | 162.7 | 23.7 | -87.8 | -68.6 | 84.6 | 0 | 0 | 110.6 | ||||
| 41 | H | 40.1 | Very low | 47.3 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 59.1 | 121.4 | 156.1 | -94.4 | -88.5 | 0 | 0 | 0 | 117.9 | ||||
| 42 | D | 35.7 | Very low | 46.1 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | -169.2 | 169.5 | 55.2 | -127.4 | -22.3 | 0 | 0 | 0 | 112 | |||||
| 43 | K | 46.3 | Very low | 45.6 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -38.5 | 148.9 | -170.9 | -72.8 | 156.6 | 172 | 168.4 | 0 | 119.9 | ||||
| 44 | S | 43.2 | Very low | 45.3 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 91.7 | 77.7 | 150.9 | -167.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 45 | A | 38.9 | Very low | 45.2 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | -170.8 | 124 | 117.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | P47 | A45-P47 WeakPolarHBondContact O-CD 3.3Å; A45-P47 VanDerWaalsContact O-N 3.09Å | |||
| 46 | A | 42.6 | Very low | 45.4 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -48.4 | 122 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | H48 | A46-H48 PolarHBondContact O-N 2.98Š| ||
| 47 | P | 46.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -72.2 | 92 | 158.9 | 31.1 | -25.2 | 0 | 0 | 0 | 103.1 | A45 L49 | A45-P47 WeakPolarHBondContact O-CD 3.3Å; A45-P47 VanDerWaalsContact O-N 3.09Å; P47-L49 HydrophobicContact CB-CB 4.32Å; P47-L49 PolarHBondContact O-N 3.26Å | ||
| 48 | H | 44.8 | Very low | 48 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 79% | 0.787 | 68% | 0.679 | S | S | * | * | trans | -67.3 | 58.9 | 150.8 | -161.6 | -84.1 | 0 | 0 | 0 | 106.9 | A46 A50 | A46-H48 PolarHBondContact O-N 2.98Å; H48-A50 PolarHBondContact O-N 3.4Å | ||
| 49 | L | 47.8 | Very low | 50.3 | Low | 153 Ų | 153 | 119 Ų | 119 | 80% | 0.801 | 67% | 0.668 | S | S | * | * | trans | -66.5 | 80.7 | 156.2 | -165 | 86 | 0 | 0 | 0 | 102.3 | P47 N51 | P47-L49 HydrophobicContact CB-CB 4.32Å; P47-L49 PolarHBondContact O-N 3.26Å; L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 WeakPolarHBondContact O-CA 3.41Å; L49-N51 PolarHBondContact O-N 2.94Å | ||
| 50 | A | 44.8 | Very low | 52.6 | Low | 69 Ų | 69 | 115 Ų | 115 | 57% | 0.57 | 65% | 0.652 | S | S | * | * | trans | -42.2 | 106.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | H48 C52 | H48-A50 PolarHBondContact O-N 3.4Å; A50-C52 PolarHBondContact O-N 3Å | ||
| 51 | N | 46.9 | Very low | 55.2 | Low | 155 Ų | 155 | 114.1 Ų | 114.1 | 83% | 0.829 | 65% | 0.651 | S | S | * | * | trans | -49.2 | 114.9 | -171.3 | -160.3 | 12.8 | 0 | 0 | 0 | 106.6 | L49 K53 | L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 WeakPolarHBondContact O-CA 3.41Å; L49-N51 PolarHBondContact O-N 2.94Å; N51-K53 PolarHBondContact O-N 3.22Å | ||
| 52 | C | 51.4 | Low | 57.7 | Low | 60 Ų | 60 | 113.2 Ų | 113.2 | 41% | 0.405 | 65% | 0.645 | S | S | . | * | trans | 23.1 | 85.4 | 161.7 | -86.8 | 0 | 0 | 0 | 0 | 116.3 | A50 F54 C55 | A50-C52 PolarHBondContact O-N 3Å; C52-F54 HydrophobicContact CB-CB 3.89Å; C52-F54 HydrophobicContact CB-CD2 4.5Å; C52-F54 PolarHBondContact O-N 2.95Å; C52-F54 VanDerWaalsContact O-N 3.1Å; C52-C55 PolarHBondContact O-N 3.18Å | ||
| 53 | K | 51.8 | Low | 60.6 | Low | 168 Ų | 168 | 114.2 Ų | 114.2 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -58.1 | -10.6 | 144.9 | -164.3 | 172.4 | 179 | 178.7 | 0 | 110.9 | N51 C55 A56 N57 | N51-K53 PolarHBondContact O-N 3.22Å; K53-C55 PolarHBondContact O-N 3.31Å; K53-A56 PolarHBondContact O-N 3.07Å; K53-N57 PolarHBondContact O-N 3.06Å; K53-N57 PolarHBondContact O-ND2 2.93Å; K53-N57 PolarHBondContact O-OD1 3.4Å; K53-N57 VanDerWaalsContact O-OD1 3.09Å |
| 54 | F | 50.2 | Low | 63 | Low | 156 Ų | 156 | 109.6 Ų | 109.6 | 68% | 0.684 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -54.5 | -26.3 | 169.4 | -75.6 | -87.2 | 0 | 0 | 0 | 114.6 | C52 N57 S58 | C52-F54 HydrophobicContact CB-CB 3.89Å; C52-F54 HydrophobicContact CB-CD2 4.5Å; C52-F54 PolarHBondContact O-N 2.95Å; C52-F54 VanDerWaalsContact O-N 3.1Å; F54-N57 PolarHBondContact O-N 3.44Å; F54-S58 PolarHBondContact O-N 3.38Å; F54-S58 VanDerWaalsContact O-N 3.16Å |
| 55 | C | 52.7 | Low | 65.6 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 66% | 0.655 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -74.9 | -36.1 | -179.5 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | C52 K53 N57 S58 | C52-C55 PolarHBondContact O-N 3.18Å; K53-C55 PolarHBondContact O-N 3.31Å; C55-N57 VanDerWaalsContact C-N 3.28Å; C55-S58 PolarHBondContact O-N 3.31Å |
| 56 | A | 54.3 | Low | 68.4 | Low | 63 Ų | 63 | 106.5 Ų | 106.5 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -27.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K53 S58 | K53-A56 PolarHBondContact O-N 3.07Å; A56-S58 VanDerWaalsContact C-N 3.33Å |
| 57 | N | 63.4 | Low | 71 | Confident | 64 Ų | 64 | 108 Ų | 108 | 34% | 0.342 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -82.6 | -9.4 | 179.5 | -50.9 | -21.7 | 0 | 0 | 0 | 112.9 | K53 F54 C55 L61 | K53-N57 PolarHBondContact O-N 3.06Å; K53-N57 PolarHBondContact O-ND2 2.93Å; K53-N57 PolarHBondContact O-OD1 3.4Å; K53-N57 VanDerWaalsContact O-OD1 3.09Å; F54-N57 PolarHBondContact O-N 3.44Å; C55-N57 VanDerWaalsContact C-N 3.28Å; N57-L61 WeakPolarHBondContact O-CB 3.48Å; N57-L61 PolarHBondContact O-N 3.26Å |
| 58 | S | 81.5 | Confident | 73.5 | Confident | 54 Ų | 54 | 106.7 Ų | 106.7 | 38% | 0.378 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.4 | -43.2 | -174.4 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | F54 C55 A56 K62 | F54-S58 PolarHBondContact O-N 3.38Å; F54-S58 VanDerWaalsContact O-N 3.16Å; C55-S58 PolarHBondContact O-N 3.31Å; A56-S58 VanDerWaalsContact C-N 3.33Å; S58-K62 WeakPolarHBondContact O-CB 3.33Å; S58-K62 VanDerWaalsContact O-CG 3.27Å; S58-K62 WeakPolarHBondContact O-CG 3.29Å; S58-K62 PolarHBondContact O-N 2.93Å |
| 59 | T | 91 | Very high | 76.1 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.2 | -41.7 | 176.2 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | K62 R63 | T59-K62 PolarHBondContact O-N 2.95Å; T59-R63 WeakPolarHBondContact O-CB 3.4Å; T59-R63 PolarHBondContact O-N 2.98Å |
| 60 | D | 91.6 | Very high | 78.5 | Confident | 78 Ų | 78 | 102.7 Ų | 102.7 | 42% | 0.417 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 175.5 | -83.9 | -35 | 0 | 0 | 0 | 112.5 | R63 L64 | D60-R63 PolarHBondContact O-N 3.46Å; D60-R63 IonicContact OD1-CZ 3.95Å; D60-R63 IonicContact OD1-NE 3.48Å; D60-R63 PolarHBondContact OD1-NE 3.48Å; D60-R63 IonicContact OD1-NH2 3.44Å; D60-R63 PolarHBondContact OD1-NH2 3.37Å; D60-L64 VanDerWaalsContact O-CB 3.29Å; D60-L64 WeakPolarHBondContact O-CB 3.28Å; D60-L64 PolarHBondContact O-N 3.5Å |
| 61 | L | 93 | Very high | 81.1 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 58% | 0.581 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.6 | -42.5 | 174.6 | -175.1 | 147.6 | 0 | 0 | 0 | 111.2 | N57 L64 Q65 | N57-L61 WeakPolarHBondContact O-CB 3.48Å; N57-L61 PolarHBondContact O-N 3.26Å; L61-L64 PolarHBondContact O-N 2.9Å; L61-Q65 VanDerWaalsContact O-CB 3.28Å; L61-Q65 WeakPolarHBondContact O-CB 3.45Å; L61-Q65 PolarHBondContact O-N 3.34Å |
| 62 | K | 94.1 | Very high | 83.5 | Confident | 135 Ų | 135 | 105.4 Ų | 105.4 | 59% | 0.587 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 172.9 | -75.1 | 177 | -178.2 | -175.2 | 0 | 111.8 | S58 T59 Q65 G66 | S58-K62 WeakPolarHBondContact O-CB 3.33Å; S58-K62 VanDerWaalsContact O-CG 3.27Å; S58-K62 WeakPolarHBondContact O-CG 3.29Å; S58-K62 PolarHBondContact O-N 2.93Å; T59-K62 PolarHBondContact O-N 2.95Å; K62-Q65 PolarHBondContact O-N 2.8Å; K62-G66 PolarHBondContact O-N 2.89Å |
| 63 | R | 96.2 | Very high | 85.8 | Confident | 152 Ų | 152 | 108.4 Ų | 108.4 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 176 | -177.7 | 174.1 | 65.4 | 151.6 | -3.7 | 111.3 | T59 D60 G66 K67 | T59-R63 WeakPolarHBondContact O-CB 3.4Å; T59-R63 PolarHBondContact O-N 2.98Å; D60-R63 PolarHBondContact O-N 3.46Å; D60-R63 IonicContact OD1-CZ 3.95Å; D60-R63 IonicContact OD1-NE 3.48Å; D60-R63 PolarHBondContact OD1-NE 3.48Å; D60-R63 IonicContact OD1-NH2 3.44Å; D60-R63 PolarHBondContact OD1-NH2 3.37Å; R63-G66 PolarHBondContact O-N 3.13Å; R63-K67 WeakPolarHBondContact O-CG 3.5Å; R63-K67 PolarHBondContact O-N 3.02Å |
| 64 | L | 96.7 | Very high | 88 | Confident | 99 Ų | 99 | 104.6 Ų | 104.6 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.3 | 179.7 | 61.4 | 0 | 0 | 0 | 111.3 | D60 L61 G66 K67 M68 | D60-L64 VanDerWaalsContact O-CB 3.29Å; D60-L64 WeakPolarHBondContact O-CB 3.28Å; D60-L64 PolarHBondContact O-N 3.5Å; L61-L64 PolarHBondContact O-N 2.9Å; L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.41Å; L64-K67 PolarHBondContact O-N 3.1Å; L64-M68 HydrophobicContact CD1-CG 4.47Å; L64-M68 HydrophobicContact CG-CE 4.31Å; L64-M68 WeakPolarHBondContact O-CG 3.09Å; L64-M68 PolarHBondContact O-N 2.95Å |
| 65 | Q | 96.8 | Very high | 90.3 | Very high | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58 | -45.7 | 174.8 | -176.1 | -178.2 | 19.9 | 0 | 0 | 111.2 | L61 K62 M68 L69 | L61-Q65 VanDerWaalsContact O-CB 3.28Å; L61-Q65 WeakPolarHBondContact O-CB 3.45Å; L61-Q65 PolarHBondContact O-N 3.34Å; K62-Q65 PolarHBondContact O-N 2.8Å; Q65-M68 PolarHBondContact O-N 3.43Å; Q65-L69 HydrophobicContact CG-CD1 4.48Å; Q65-L69 WeakPolarHBondContact O-CG 3.47Å; Q65-L69 PolarHBondContact O-N 3.23Å |
| 66 | G | 98.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 98.6 Ų | 98.6 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K62 R63 L64 M68 L69 F70 | K62-G66 PolarHBondContact O-N 2.89Å; R63-G66 PolarHBondContact O-N 3.13Å; L64-G66 VanDerWaalsContact C-N 3.33Å; L64-G66 PolarHBondContact O-N 3.41Å; G66-M68 PolarHBondContact O-N 3.49Å; G66-L69 PolarHBondContact O-N 3.09Å; G66-F70 WeakPolarHBondContact O-CB 3.38Å; G66-F70 PolarHBondContact O-N 3.43Å |
| 67 | K | 98.5 | Very high | 94.6 | Very high | 126 Ų | 126 | 99.2 Ų | 99.2 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.9 | -71.8 | 179.8 | 176.6 | -171 | 0 | 112.7 | R63 L64 F70 L71 | R63-K67 WeakPolarHBondContact O-CG 3.5Å; R63-K67 PolarHBondContact O-N 3.02Å; L64-K67 PolarHBondContact O-N 3.1Å; K67-F70 PolarHBondContact O-N 3.47Å; K67-L71 WeakPolarHBondContact O-CB 3.38Å; K67-L71 PolarHBondContact O-N 2.98Å |
| 68 | M | 98.5 | Very high | 96.3 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 176.7 | -74.7 | -166.8 | -66.4 | 0 | 0 | 112.2 | L64 Q65 G66 R72 | L64-M68 HydrophobicContact CD1-CG 4.47Å; L64-M68 HydrophobicContact CG-CE 4.31Å; L64-M68 WeakPolarHBondContact O-CG 3.09Å; L64-M68 PolarHBondContact O-N 2.95Å; Q65-M68 PolarHBondContact O-N 3.43Å; G66-M68 PolarHBondContact O-N 3.49Å; M68-R72 WeakPolarHBondContact O-CB 3.45Å; M68-R72 VanDerWaalsContact O-CG 3.29Å; M68-R72 WeakPolarHBondContact O-CG 3.48Å; M68-R72 PolarHBondContact O-N 2.89Å |
| 69 | L | 98.6 | Very high | 97.2 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 174.9 | -73 | 173.5 | 0 | 0 | 0 | 111.3 | Q65 G66 R72 Q73 | Q65-L69 HydrophobicContact CG-CD1 4.48Å; Q65-L69 WeakPolarHBondContact O-CG 3.47Å; Q65-L69 PolarHBondContact O-N 3.23Å; G66-L69 PolarHBondContact O-N 3.09Å; L69-R72 PolarHBondContact O-N 3.28Å; L69-Q73 PolarHBondContact O-N 3.35Å |
| 70 | F | 98.6 | Very high | 97.5 | Very high | 139 Ų | 139 | 102.8 Ų | 102.8 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.4 | -49.6 | 175.2 | 178.7 | -98.2 | 0 | 0 | 0 | 111.7 | G66 K67 R72 Q73 E74 | G66-F70 WeakPolarHBondContact O-CB 3.38Å; G66-F70 PolarHBondContact O-N 3.43Å; K67-F70 PolarHBondContact O-N 3.47Å; F70-R72 VanDerWaalsContact C-N 3.3Å; F70-R72 PolarHBondContact O-N 2.88Å; F70-Q73 WeakPolarHBondContact O-CB 3.45Å; F70-Q73 PolarHBondContact O-N 3.27Å; F70-Q73 VanDerWaalsContact O-N 3.08Å; F70-E74 HydrophobicContact CD1-CG 4.16Å; F70-E74 HydrophobicContact CE1-CG 3.62Å; F70-E74 HydrophobicContact CE2-CG 4.1Å; F70-E74 HydrophobicContact CZ-CG 3.58Å; F70-E74 PolarHBondContact O-N 2.79Å |
| 71 | L | 98.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 178 | -177.8 | 62.5 | 0 | 0 | 0 | 112 | K67 Q73 E74 M75 | K67-L71 WeakPolarHBondContact O-CB 3.38Å; K67-L71 PolarHBondContact O-N 2.98Å; L71-Q73 VanDerWaalsContact C-N 3.32Å; L71-Q73 PolarHBondContact O-N 2.93Å; L71-E74 PolarHBondContact O-N 2.7Å; L71-M75 HydrophobicContact CD1-CG 4.28Å; L71-M75 HydrophobicContact CG-CG 4.42Å; L71-M75 WeakPolarHBondContact O-CB 3.37Å; L71-M75 WeakPolarHBondContact O-CG 3.37Å; L71-M75 PolarHBondContact O-N 2.72Å |
| 72 | R | 98.6 | Very high | 98.1 | Very high | 173 Ų | 173 | 101.4 Ų | 101.4 | 65% | 0.653 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 175 | -78.2 | 176.3 | 177.8 | 158.4 | 0.7 | 111.9 | M68 L69 F70 A76 | M68-R72 WeakPolarHBondContact O-CB 3.45Å; M68-R72 VanDerWaalsContact O-CG 3.29Å; M68-R72 WeakPolarHBondContact O-CG 3.48Å; M68-R72 PolarHBondContact O-N 2.89Å; L69-R72 PolarHBondContact O-N 3.28Å; F70-R72 VanDerWaalsContact C-N 3.3Å; F70-R72 PolarHBondContact O-N 2.88Å; R72-A76 WeakPolarHBondContact O-CB 3.37Å; R72-A76 PolarHBondContact O-N 3.26Å |
| 73 | Q | 98.8 | Very high | 98.4 | Very high | 124 Ų | 124 | 99 Ų | 99 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.7 | -44.7 | 177 | -175.6 | 57.7 | 56.8 | 0 | 0 | 111.6 | L69 F70 L71 A76 N77 | L69-Q73 PolarHBondContact O-N 3.35Å; F70-Q73 WeakPolarHBondContact O-CB 3.45Å; F70-Q73 PolarHBondContact O-N 3.27Å; F70-Q73 VanDerWaalsContact O-N 3.08Å; L71-Q73 VanDerWaalsContact C-N 3.32Å; L71-Q73 PolarHBondContact O-N 2.93Å; Q73-A76 WeakPolarHBondContact O-CB 3.28Å; Q73-A76 PolarHBondContact O-N 3.02Å; Q73-N77 PolarHBondContact O-N 3.13Å |
| 74 | E | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.7 | -74.8 | -66.5 | 90.2 | 0 | 0 | 111.7 | F70 L71 A76 N77 L78 | F70-E74 HydrophobicContact CD1-CG 4.16Å; F70-E74 HydrophobicContact CE1-CG 3.62Å; F70-E74 HydrophobicContact CE2-CG 4.1Å; F70-E74 HydrophobicContact CZ-CG 3.58Å; F70-E74 PolarHBondContact O-N 2.79Å; L71-E74 PolarHBondContact O-N 2.7Å; E74-A76 VanDerWaalsContact C-N 3.28Å; E74-A76 PolarHBondContact O-N 3.34Å; E74-N77 WeakPolarHBondContact O-CB 3.34Å; E74-N77 PolarHBondContact O-N 3.42Å; E74-L78 WeakPolarHBondContact O-CB 3.47Å; E74-L78 PolarHBondContact O-N 3.42Å |
| 75 | M | 98.9 | Very high | 98.6 | Very high | 80 Ų | 80 | 98 Ų | 98 | 39% | 0.394 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 175 | -71.5 | -61 | -60.4 | 0 | 0 | 112.6 | L71 R79 | L71-M75 HydrophobicContact CD1-CG 4.28Å; L71-M75 HydrophobicContact CG-CG 4.42Å; L71-M75 WeakPolarHBondContact O-CB 3.37Å; L71-M75 WeakPolarHBondContact O-CG 3.37Å; L71-M75 PolarHBondContact O-N 2.72Å; M75-R79 WeakPolarHBondContact O-CG 3.48Å; M75-R79 PolarHBondContact O-N 3.32Å |
| 76 | A | 98.6 | Very high | 98.7 | Very high | 47 Ų | 47 | 98.6 Ų | 98.6 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.4 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R72 Q73 E74 R79 A80 | R72-A76 WeakPolarHBondContact O-CB 3.37Å; R72-A76 PolarHBondContact O-N 3.26Å; Q73-A76 WeakPolarHBondContact O-CB 3.28Å; Q73-A76 PolarHBondContact O-N 3.02Å; E74-A76 VanDerWaalsContact C-N 3.28Å; E74-A76 PolarHBondContact O-N 3.34Å; A76-R79 PolarHBondContact O-N 3.05Å; A76-A80 PolarHBondContact O-N 2.92Å |
| 77 | N | 98.7 | Very high | 98.7 | Very high | 77 Ų | 77 | 103.4 Ų | 103.4 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 176 | -170.3 | 14.9 | 0 | 0 | 0 | 111.4 | Q73 E74 R79 A80 I81 | Q73-N77 PolarHBondContact O-N 3.13Å; E74-N77 WeakPolarHBondContact O-CB 3.34Å; E74-N77 PolarHBondContact O-N 3.42Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 3.12Å; N77-A80 WeakPolarHBondContact O-CB 3.43Å; N77-A80 PolarHBondContact O-N 3.12Å; N77-I81 WeakPolarHBondContact O-CG1 3.41Å; N77-I81 PolarHBondContact O-N 3.39Å |
| 78 | L | 98.9 | Very high | 98.7 | Very high | 90 Ų | 90 | 103.3 Ų | 103.3 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 177.2 | -171 | 64 | 0 | 0 | 0 | 111.6 | E74 A80 I81 D82 | E74-L78 WeakPolarHBondContact O-CB 3.47Å; E74-L78 PolarHBondContact O-N 3.42Å; L78-A80 VanDerWaalsContact C-N 3.29Å; L78-A80 PolarHBondContact O-N 2.93Å; L78-I81 WeakPolarHBondContact O-CB 3.48Å; L78-I81 PolarHBondContact O-N 3.33Å; L78-I81 VanDerWaalsContact O-N 3.12Å; L78-D82 PolarHBondContact O-N 2.91Å |
| 79 | R | 98.8 | Very high | 98.8 | Very high | 154 Ų | 154 | 104 Ų | 104 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.8 | -37 | 174.6 | -73.7 | -175.4 | -173.6 | 111.3 | -3 | 113 | M75 A76 N77 I81 D82 V83 | M75-R79 WeakPolarHBondContact O-CG 3.48Å; M75-R79 PolarHBondContact O-N 3.32Å; A76-R79 PolarHBondContact O-N 3.05Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 3.12Å; R79-I81 VanDerWaalsContact C-N 3.33Å; R79-D82 PolarHBondContact O-N 3.44Å; R79-V83 WeakPolarHBondContact O-CG2 3.25Å; R79-V83 PolarHBondContact O-N 3.37Å; R79-V83 VanDerWaalsContact O-N 3.12Å |
| 80 | A | 98.8 | Very high | 98.8 | Very high | 48 Ų | 48 | 105.1 Ų | 105.1 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A76 N77 L78 K84 | A76-A80 PolarHBondContact O-N 2.92Å; N77-A80 WeakPolarHBondContact O-CB 3.43Å; N77-A80 PolarHBondContact O-N 3.12Å; L78-A80 VanDerWaalsContact C-N 3.29Å; L78-A80 PolarHBondContact O-N 2.93Å; A80-K84 WeakPolarHBondContact O-CG 3.24Å; A80-K84 PolarHBondContact O-N 3.03Å |
| 81 | I | 98.8 | Very high | 98.8 | Very high | 86 Ų | 86 | 102.3 Ų | 102.3 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 173.4 | -66.2 | 165.2 | 0 | 0 | 0 | 110.1 | N77 L78 R79 V83 K84 L85 | N77-I81 WeakPolarHBondContact O-CG1 3.41Å; N77-I81 PolarHBondContact O-N 3.39Å; L78-I81 WeakPolarHBondContact O-CB 3.48Å; L78-I81 PolarHBondContact O-N 3.33Å; L78-I81 VanDerWaalsContact O-N 3.12Å; R79-I81 VanDerWaalsContact C-N 3.33Å; I81-V83 VanDerWaalsContact C-N 3.31Å; I81-V83 PolarHBondContact O-N 2.9Å; I81-K84 WeakPolarHBondContact O-CB 3.37Å; I81-K84 PolarHBondContact O-N 3.49Å; I81-K84 VanDerWaalsContact O-N 3.09Å; I81-L85 PolarHBondContact O-N 3.44Å |
| 82 | D | 98.9 | Very high | 98.8 | Very high | 73 Ų | 73 | 102 Ų | 102 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 178.3 | -66.7 | -20.3 | 0 | 0 | 0 | 111.7 | L78 R79 K84 L85 M86 | L78-D82 PolarHBondContact O-N 2.91Å; R79-D82 PolarHBondContact O-N 3.44Å; D82-K84 VanDerWaalsContact C-N 3.33Å; D82-K84 PolarHBondContact O-N 3.3Å; D82-L85 PolarHBondContact O-N 3.33Å; D82-M86 WeakPolarHBondContact O-CB 3.29Å; D82-M86 WeakPolarHBondContact O-CG 3.48Å; D82-M86 PolarHBondContact O-N 3.04Å |
| 83 | V | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 97.4 Ų | 97.4 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | R79 I81 M86 Q87 | R79-V83 WeakPolarHBondContact O-CG2 3.25Å; R79-V83 PolarHBondContact O-N 3.37Å; R79-V83 VanDerWaalsContact O-N 3.12Å; I81-V83 VanDerWaalsContact C-N 3.31Å; I81-V83 PolarHBondContact O-N 2.9Å; V83-M86 HydrophobicContact CG2-CE 4.2Å; V83-M86 PolarHBondContact O-N 3.44Å; V83-Q87 WeakPolarHBondContact O-CB 3.39Å; V83-Q87 PolarHBondContact O-N 3.4Å |
| 84 | K | 98.7 | Very high | 98.7 | Very high | 139 Ų | 139 | 95.3 Ų | 95.3 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 177 | -72.6 | 177.6 | 178.1 | 177.9 | 0 | 111.8 | A80 I81 D82 Q87 Q88 | A80-K84 WeakPolarHBondContact O-CG 3.24Å; A80-K84 PolarHBondContact O-N 3.03Å; I81-K84 WeakPolarHBondContact O-CB 3.37Å; I81-K84 PolarHBondContact O-N 3.49Å; I81-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 VanDerWaalsContact C-N 3.33Å; D82-K84 PolarHBondContact O-N 3.3Å; K84-Q87 PolarHBondContact O-N 3.27Å; K84-Q88 WeakPolarHBondContact O-CG 3.21Å; K84-Q88 PolarHBondContact O-N 3.34Å |
| 85 | L | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 92.6 Ų | 92.6 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 177.9 | -177.6 | 65.5 | 0 | 0 | 0 | 110.9 | I81 D82 Q87 Q88 L89 | I81-L85 PolarHBondContact O-N 3.44Å; D82-L85 PolarHBondContact O-N 3.33Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-Q87 PolarHBondContact O-N 2.99Å; L85-Q88 PolarHBondContact O-N 3.18Å; L85-L89 HydrophobicContact CG-CD1 4.2Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.36Å |
| 86 | M | 98.9 | Very high | 98.6 | Very high | 117 Ų | 117 | 92.9 Ų | 92.9 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 175.6 | -72.3 | -173.4 | -65.8 | 0 | 0 | 111.9 | D82 V83 L89 M90 | D82-M86 WeakPolarHBondContact O-CB 3.29Å; D82-M86 WeakPolarHBondContact O-CG 3.48Å; D82-M86 PolarHBondContact O-N 3.04Å; V83-M86 HydrophobicContact CG2-CE 4.2Å; V83-M86 PolarHBondContact O-N 3.44Å; M86-L89 PolarHBondContact O-N 3.41Å; M86-M90 WeakPolarHBondContact O-CB 3.45Å; M86-M90 PolarHBondContact O-N 2.85Å |
| 87 | Q | 98.8 | Very high | 98.6 | Very high | 139 Ų | 139 | 93.8 Ų | 93.8 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 177.1 | -172.7 | 172.1 | 24.9 | 0 | 0 | 112.3 | V83 K84 L85 M90 S91 | V83-Q87 WeakPolarHBondContact O-CB 3.39Å; V83-Q87 PolarHBondContact O-N 3.4Å; K84-Q87 PolarHBondContact O-N 3.27Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-Q87 PolarHBondContact O-N 2.99Å; Q87-M90 PolarHBondContact O-N 2.89Å; Q87-S91 WeakPolarHBondContact O-CB 3.47Å; Q87-S91 PolarHBondContact O-N 3.08Å |
| 88 | Q | 98.8 | Very high | 98.5 | Very high | 125 Ų | 125 | 93.3 Ų | 93.3 | 58% | 0.584 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 175 | -72.6 | -180 | -52.7 | 0 | 0 | 111.5 | K84 L85 M90 S91 I92 | K84-Q88 WeakPolarHBondContact O-CG 3.21Å; K84-Q88 PolarHBondContact O-N 3.34Å; L85-Q88 PolarHBondContact O-N 3.18Å; Q88-M90 VanDerWaalsContact C-N 3.33Å; Q88-M90 PolarHBondContact O-N 3.08Å; Q88-S91 PolarHBondContact O-N 3.28Å; Q88-I92 VanDerWaalsContact O-CG1 3.29Å; Q88-I92 WeakPolarHBondContact O-CG1 3.48Å; Q88-I92 PolarHBondContact O-N 3.01Å |
| 89 | L | 98.8 | Very high | 98.4 | Very high | 103 Ų | 103 | 93.9 Ų | 93.9 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.9 | -74 | 169.2 | 0 | 0 | 0 | 111.9 | L85 M86 I92 N93 | L85-L89 HydrophobicContact CG-CD1 4.2Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.36Å; M86-L89 PolarHBondContact O-N 3.41Å; L89-I92 PolarHBondContact O-N 2.89Å; L89-N93 WeakPolarHBondContact O-CB 3.37Å; L89-N93 PolarHBondContact O-N 3.4Å |
| 90 | M | 98.6 | Very high | 98.2 | Very high | 123 Ų | 123 | 91.9 Ų | 91.9 | 61% | 0.606 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.2 | -48.9 | 175.4 | -178.6 | 168.8 | -80.5 | 0 | 0 | 111.3 | M86 Q87 Q88 I92 N93 D94 | M86-M90 WeakPolarHBondContact O-CB 3.45Å; M86-M90 PolarHBondContact O-N 2.85Å; Q87-M90 PolarHBondContact O-N 2.89Å; Q88-M90 VanDerWaalsContact C-N 3.33Å; Q88-M90 PolarHBondContact O-N 3.08Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 2.98Å; M90-N93 WeakPolarHBondContact O-CB 3.27Å; M90-N93 PolarHBondContact O-N 3.47Å; M90-N93 VanDerWaalsContact O-N 3.13Å; M90-D94 VanDerWaalsContact O-CG 3.22Å; M90-D94 PolarHBondContact O-N 3.18Å |
| 91 | S | 98.7 | Very high | 98 | Very high | 80 Ų | 80 | 97.5 Ų | 97.5 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.1 | -35.3 | 177.7 | -177 | 0 | 0 | 0 | 0 | 113.1 | Q87 Q88 G95 | Q87-S91 WeakPolarHBondContact O-CB 3.47Å; Q87-S91 PolarHBondContact O-N 3.08Å; Q88-S91 PolarHBondContact O-N 3.28Å; S91-G95 PolarHBondContact O-N 3.37Å; S91-G95 VanDerWaalsContact O-N 3.11Å |
| 92 | I | 98.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 99.5 Ų | 99.5 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.2 | -44.6 | 175.1 | -69.6 | 165 | 0 | 0 | 0 | 110.2 | Q88 L89 M90 D94 G95 I96 | Q88-I92 VanDerWaalsContact O-CG1 3.29Å; Q88-I92 WeakPolarHBondContact O-CG1 3.48Å; Q88-I92 PolarHBondContact O-N 3.01Å; L89-I92 PolarHBondContact O-N 2.89Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 2.98Å; I92-D94 PolarHBondContact O-N 3.28Å; I92-G95 PolarHBondContact O-N 3.2Å; I92-I96 HydrophobicContact CG2-CD1 3.82Å; I92-I96 HydrophobicContact CG2-CG1 4.39Å; I92-I96 WeakPolarHBondContact O-CG1 3.42Å; I92-I96 PolarHBondContact O-N 2.89Å |
| 93 | N | 98.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 101.9 Ų | 101.9 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 177.7 | -174.4 | 67.6 | 0 | 0 | 0 | 111.3 | L89 M90 G95 I96 E97 | L89-N93 WeakPolarHBondContact O-CB 3.37Å; L89-N93 PolarHBondContact O-N 3.4Å; M90-N93 WeakPolarHBondContact O-CB 3.27Å; M90-N93 PolarHBondContact O-N 3.47Å; M90-N93 VanDerWaalsContact O-N 3.13Å; N93-G95 VanDerWaalsContact C-N 3.28Å; N93-G95 PolarHBondContact O-N 2.93Å; N93-I96 PolarHBondContact O-N 2.85Å; N93-E97 PolarHBondContact ND2-OE1 2.91Å; N93-E97 WeakPolarHBondContact O-CG 3.35Å; N93-E97 PolarHBondContact O-N 3.02Å |
| 94 | D | 98.1 | Very high | 96.6 | Very high | 80 Ų | 80 | 102.7 Ų | 102.7 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 177.5 | -62.3 | -12 | 0 | 0 | 0 | 111.6 | M90 I92 S98 | M90-D94 VanDerWaalsContact O-CG 3.22Å; M90-D94 PolarHBondContact O-N 3.18Å; I92-D94 PolarHBondContact O-N 3.28Å; D94-S98 WeakPolarHBondContact O-CB 3.29Å; D94-S98 PolarHBondContact O-N 3.47Å; D94-S98 PolarHBondContact O-OG 3.22Å |
| 95 | G | 98.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 102.4 Ų | 102.4 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S91 I92 N93 S98 I99 | S91-G95 PolarHBondContact O-N 3.37Å; S91-G95 VanDerWaalsContact O-N 3.11Å; I92-G95 PolarHBondContact O-N 3.2Å; N93-G95 VanDerWaalsContact C-N 3.28Å; N93-G95 PolarHBondContact O-N 2.93Å; G95-S98 PolarHBondContact O-N 3.29Å; G95-I99 WeakPolarHBondContact O-CG1 3.45Å; G95-I99 PolarHBondContact O-N 2.96Å; G95-I99 VanDerWaalsContact O-N 3.11Å |
| 96 | I | 98 | Very high | 93.4 | Very high | 86 Ų | 86 | 104.7 Ų | 104.7 | 44% | 0.441 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.1 | -68.4 | 166.4 | 0 | 0 | 0 | 110.3 | I92 N93 S98 I99 R100 | I92-I96 HydrophobicContact CG2-CD1 3.82Å; I92-I96 HydrophobicContact CG2-CG1 4.39Å; I92-I96 WeakPolarHBondContact O-CG1 3.42Å; I92-I96 PolarHBondContact O-N 2.89Å; N93-I96 PolarHBondContact O-N 2.85Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 2.96Å; I96-I99 PolarHBondContact O-N 2.89Å; I96-R100 WeakPolarHBondContact O-CB 3.05Å; I96-R100 PolarHBondContact O-N 3.26Å |
| 97 | E | 97.5 | Very high | 91.4 | Very high | 66 Ų | 66 | 101.6 Ų | 101.6 | 31% | 0.308 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.7 | -73.8 | 176.7 | -163.4 | 0 | 0 | 111.5 | N93 I99 R100 W101 | N93-E97 PolarHBondContact ND2-OE1 2.91Å; N93-E97 WeakPolarHBondContact O-CG 3.35Å; N93-E97 PolarHBondContact O-N 3.02Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 3.28Å; E97-R100 WeakPolarHBondContact O-CB 3.43Å; E97-R100 PolarHBondContact O-N 2.86Å; E97-W101 PolarHBondContact O-N 3.44Å |
| 98 | S | 96.6 | Very high | 89.3 | Confident | 67 Ų | 67 | 100.8 Ų | 100.8 | 47% | 0.469 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | D94 G95 I96 W101 M102 | D94-S98 WeakPolarHBondContact O-CB 3.29Å; D94-S98 PolarHBondContact O-N 3.47Å; D94-S98 PolarHBondContact O-OG 3.22Å; G95-S98 PolarHBondContact O-N 3.29Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 2.96Å; S98-W101 PolarHBondContact O-N 3.01Å; S98-M102 WeakPolarHBondContact O-CG 3.28Å; S98-M102 PolarHBondContact O-N 2.98Å; S98-M102 VanDerWaalsContact O-N 3.1Å |
| 99 | I | 96.3 | Very high | 87.2 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -43 | 176.6 | -66.3 | 167.6 | 0 | 0 | 0 | 110.7 | G95 I96 E97 W101 M102 M103 | G95-I99 WeakPolarHBondContact O-CG1 3.45Å; G95-I99 PolarHBondContact O-N 2.96Å; G95-I99 VanDerWaalsContact O-N 3.11Å; I96-I99 PolarHBondContact O-N 2.89Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-I99 PolarHBondContact O-N 3.28Å; I99-W101 PolarHBondContact O-N 2.98Å; I99-M102 WeakPolarHBondContact O-CB 3.43Å; I99-M102 PolarHBondContact O-N 3.45Å; I99-M102 VanDerWaalsContact O-N 3.15Å; I99-M103 HydrophobicContact CG2-CG 4.22Å; I99-M103 HydrophobicContact CG2-SD 3.74Å; I99-M103 WeakPolarHBondContact O-CG 3.27Å; I99-M103 PolarHBondContact O-N 3.36Å |
| 100 | R | 94.5 | Very high | 85 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 42% | 0.423 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -55.9 | -50.7 | 177 | -177.3 | -172.3 | -60.3 | 131.8 | 2.7 | 110.7 | I96 E97 M102 M103 E104 | I96-R100 WeakPolarHBondContact O-CB 3.05Å; I96-R100 PolarHBondContact O-N 3.26Å; E97-R100 WeakPolarHBondContact O-CB 3.43Å; E97-R100 PolarHBondContact O-N 2.86Å; R100-M102 VanDerWaalsContact C-N 3.29Å; R100-M102 PolarHBondContact O-N 2.81Å; R100-M103 PolarHBondContact O-N 3.36Å; R100-E104 WeakPolarHBondContact CD-OE1 3.39Å; R100-E104 HydrophobicContact CG-CG 4.23Å; R100-E104 WeakPolarHBondContact CG-OE1 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.35Å; R100-E104 PolarHBondContact O-N 3.22Å |
| 101 | W | 95.4 | Very high | 82.9 | Confident | 166 Ų | 166 | 98.9 Ų | 98.9 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.6 | -39.6 | 176.6 | -65.2 | 128.3 | 0 | 0 | 0 | 112.5 | E97 S98 I99 M103 E104 | E97-W101 PolarHBondContact O-N 3.44Å; S98-W101 PolarHBondContact O-N 3.01Å; I99-W101 PolarHBondContact O-N 2.98Å; W101-M103 VanDerWaalsContact C-N 3.32Å; W101-M103 PolarHBondContact O-N 2.92Å; W101-E104 VanDerWaalsContact CZ3-OE2 3.27Å; W101-E104 WeakPolarHBondContact CZ3-OE2 3.38Å |
| 102 | M | 91.3 | Very high | 80.6 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.5 | -29.4 | 176 | -72.6 | 179.7 | 60.7 | 0 | 0 | 113.9 | S98 I99 R100 | S98-M102 WeakPolarHBondContact O-CG 3.28Å; S98-M102 PolarHBondContact O-N 2.98Å; S98-M102 VanDerWaalsContact O-N 3.1Å; I99-M102 WeakPolarHBondContact O-CB 3.43Å; I99-M102 PolarHBondContact O-N 3.45Å; I99-M102 VanDerWaalsContact O-N 3.15Å; R100-M102 VanDerWaalsContact C-N 3.29Å; R100-M102 PolarHBondContact O-N 2.81Å |
| 103 | M | 91.4 | Very high | 78.1 | Confident | 124 Ų | 124 | 106 Ų | 106 | 61% | 0.611 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -85.4 | -38.6 | -178.9 | -73.5 | 179.3 | 64 | 0 | 0 | 112.5 | I99 R100 W101 D105 K106 G107 | I99-M103 HydrophobicContact CG2-CG 4.22Å; I99-M103 HydrophobicContact CG2-SD 3.74Å; I99-M103 WeakPolarHBondContact O-CG 3.27Å; I99-M103 PolarHBondContact O-N 3.36Å; R100-M103 PolarHBondContact O-N 3.36Å; W101-M103 VanDerWaalsContact C-N 3.32Å; W101-M103 PolarHBondContact O-N 2.92Å; M103-D105 PolarHBondContact O-N 3.17Å; M103-K106 PolarHBondContact O-N 3.38Å; M103-G107 PolarHBondContact O-N 2.81Å |
| 104 | E | 83.1 | Confident | 76.1 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 48% | 0.477 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.9 | -34.5 | 178.7 | -74 | 170.6 | 178.6 | 0 | 0 | 111.8 | R100 W101 K106 | R100-E104 WeakPolarHBondContact CD-OE1 3.39Å; R100-E104 HydrophobicContact CG-CG 4.23Å; R100-E104 WeakPolarHBondContact CG-OE1 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.35Å; R100-E104 PolarHBondContact O-N 3.22Å; W101-E104 VanDerWaalsContact CZ3-OE2 3.27Å; W101-E104 WeakPolarHBondContact CZ3-OE2 3.38Å; E104-K106 PolarHBondContact O-N 3.18Å |
| 105 | D | 67.2 | Low | 73.8 | Confident | 134 Ų | 134 | 106.5 Ų | 106.5 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.9 | -18.8 | 175.4 | -169.5 | 53.4 | 0 | 0 | 0 | 113.8 | M103 | M103-D105 PolarHBondContact O-N 3.17Å |
| 106 | K | 64.1 | Low | 71.6 | Confident | 137 Ų | 137 | 113.6 Ų | 113.6 | 60% | 0.596 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -109.2 | -16.8 | -175.8 | -63.4 | 171.2 | -177.6 | -70.6 | 0 | 113.6 | M103 E104 | M103-K106 PolarHBondContact O-N 3.38Å; E104-K106 PolarHBondContact O-N 3.18Å |
| 107 | G | 57.2 | Low | 69.3 | Low | 52 Ų | 52 | 115.7 Ų | 115.7 | 54% | 0.536 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -78.9 | -21.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | M103 | M103-G107 PolarHBondContact O-N 2.81Å |
| 108 | D | 53.4 | Low | 67 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -86.6 | -11.7 | 176 | -158.2 | 25.3 | 0 | 0 | 0 | 112.7 | ||
| 109 | A | 56.1 | Low | 65.1 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -94.6 | -9.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 110 | T | 51.5 | Low | 63.2 | Low | 123 Ų | 123 | 120.9 Ų | 120.9 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -111.5 | 4.9 | -174.4 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 111 | S | 54.1 | Low | 61.1 | Low | 104 Ų | 104 | 124.9 Ų | 124.9 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -141.3 | 30.4 | 176.4 | -171.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 112 | Q | 51 | Low | 58.9 | Low | 151 Ų | 151 | 122.6 Ų | 122.6 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -116.2 | 29.3 | 168.3 | -79.3 | -146.5 | 27.6 | 0 | 0 | 114 | G114 | Q112-G114 PolarHBondContact O-N 2.75Š| ||
| 113 | D | 47.5 | Very low | 57 | Low | 181 Ų | 181 | 123.6 Ų | 123.6 | 97% | 0.968 | 73% | 0.729 | S | S | * | * | trans | -87.6 | 23.8 | 161.5 | -118.4 | -1.8 | 0 | 0 | 0 | 112.4 | ||||
| 114 | G | 55.9 | Low | 54.6 | Low | 65 Ų | 65 | 122.8 Ų | 122.8 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -111.5 | 90.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q112 | Q112-G114 PolarHBondContact O-N 2.75Š|
| 115 | S | 48.9 | Very low | 52.8 | Low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 76.4 | 90 | 167.1 | -75.5 | 0 | 0 | 0 | 0 | 118.8 | T117 | S115-T117 PolarHBondContact O-N 2.82Š| ||
| 116 | L | 52.1 | Low | 51.7 | Low | 179 Ų | 179 | 124.7 Ų | 124.7 | 94% | 0.937 | 76% | 0.757 | S | S | * | * | 14.3 | 75.9 | 115.5 | -67.2 | 168.6 | 0 | 0 | 0 | 116.1 | |||||
| 117 | T | 50.3 | Low | 51.2 | Low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -141.8 | 34.5 | 158.8 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | S115 S119 | S115-T117 PolarHBondContact O-N 2.82Å; T117-S119 PolarHBondContact O-N 3.22Å; T117-S119 VanDerWaalsContact O-N 3.13Å | ||
| 118 | G | 49.9 | Very low | 50.3 | Low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -77.4 | 55.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L120 | G118-L120 VanDerWaalsContact C-N 3.3Å; G118-L120 PolarHBondContact O-N 2.98Å | ||
| 119 | S | 55.4 | Low | 49.9 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -78.2 | 86.9 | 173.1 | -166.5 | 0 | 0 | 0 | 0 | 108.6 | T117 | T117-S119 PolarHBondContact O-N 3.22Å; T117-S119 VanDerWaalsContact O-N 3.13Å | ||
| 120 | L | 57.3 | Low | 49 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -70.4 | 128.9 | 164.3 | -68.1 | 172.7 | 0 | 0 | 0 | 108.5 | G118 | G118-L120 VanDerWaalsContact C-N 3.3Å; G118-L120 PolarHBondContact O-N 2.98Å | ||
| 121 | Y | 49.7 | Very low | 48.7 | Very low | 197 Ų | 197 | 128.7 Ų | 128.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 63.5 | 107.3 | 160.8 | -106.5 | -102.8 | 0 | 0 | 0 | 117.3 | L123 | Y121-L123 HydrophobicContact CE1-CD1 4.17Š| ||
| 122 | S | 49 | Very low | 48.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -147.1 | 85.9 | 144.2 | -78.4 | 0 | 0 | 0 | 0 | 108.7 | S124 | S122-S124 PolarHBondContact O-N 3.1Š| ||
| 123 | L | 51.8 | Low | 48.5 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -77.7 | 95.2 | 157.7 | -72.6 | 175.4 | 0 | 0 | 0 | 107.3 | Y121 | Y121-L123 HydrophobicContact CE1-CD1 4.17Š| ||
| 124 | S | 41.9 | Very low | 48.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -142.9 | 99.3 | 155.9 | -71.5 | 0 | 0 | 0 | 0 | 107.5 | S122 S126 | S122-S124 PolarHBondContact O-N 3.1Å; S124-S126 PolarHBondContact O-N 3.18Å | ||
| 125 | D | 45.3 | Very low | 47.7 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -54.9 | 100.3 | 158.6 | -168.2 | 19.3 | 0 | 0 | 0 | 107.9 | ||||
| 126 | S | 43.7 | Very low | 47.8 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -148.1 | 87.9 | 168.3 | -158.8 | 0 | 0 | 0 | 0 | 109 | S124 D128 | S124-S126 PolarHBondContact O-N 3.18Å; S126-D128 PolarHBondContact O-N 3.09Å | ||
| 127 | Q | 53.4 | Low | 47.5 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -13.2 | 118.8 | 141.7 | -176.7 | 164.2 | 9.8 | 0 | 0 | 113.5 | ||||
| 128 | D | 37.3 | Very low | 47.3 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | 179.4 | 130.7 | 126.5 | -87.1 | -32.3 | 0 | 0 | 0 | 111.1 | S126 | S126-D128 PolarHBondContact O-N 3.09Š| |||
| 129 | G | 46.2 | Very low | 47.3 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | -74.4 | 139 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 130 | S | 36.6 | Very low | 47 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -172.2 | 139.7 | 137.3 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 131 | S | 45 | Very low | 46.3 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | 33.7 | 130.3 | 151.3 | 64.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 132 | L | 45.1 | Very low | 46.5 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | -163.5 | 114 | 78.4 | -164.8 | 65.9 | 0 | 0 | 0 | 112.5 | G134 | L132-G134 PolarHBondContact O-N 3.3Š| |||
| 133 | R | 57 | Low | 46.5 | Very low | 242 Ų | 242 | 134.3 Ų | 134.3 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | -52 | 120.5 | 148.7 | 168.9 | -174.4 | 179.7 | -91.1 | 2.4 | 109.5 | ||||
| 134 | G | 40.4 | Very low | 46.9 | Very low | 56 Ų | 56 | 130.9 Ų | 130.9 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | trans | 112 | 114.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L132 | L132-G134 PolarHBondContact O-N 3.3Š| ||
| 135 | S | 45.2 | Very low | 47.7 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | -164 | 82.8 | 121.7 | -162.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 136 | F | 50.5 | Low | 48.5 | Very low | 203 Ų | 203 | 127.4 Ų | 127.4 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -80.4 | 104.6 | 148.9 | -71.7 | -82.8 | 0 | 0 | 0 | 105.4 | ||||
| 137 | N | 45.7 | Very low | 49 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -176.4 | 117.8 | 156.6 | -104.5 | 3.4 | 0 | 0 | 0 | 111.6 | ||||
| 138 | S | 46.5 | Very low | 49.2 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -173.7 | 81.9 | 143.4 | -69.8 | 0 | 0 | 0 | 0 | 105 | ||||
| 139 | L | 50.5 | Low | 50.1 | Low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | 46 | 90.9 | 98.8 | -67.6 | 179 | 0 | 0 | 0 | 113.1 | |||||
| 140 | N | 48 | Very low | 50.6 | Low | 159 Ų | 159 | 129.2 Ų | 129.2 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -136.6 | 81.7 | 140.3 | -165 | 62.5 | 0 | 0 | 0 | 103.9 | ||||
| 141 | D | 44.6 | Very low | 51.6 | Low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | 40.3 | 131.1 | 83.9 | -156.5 | 23.4 | 0 | 0 | 0 | 114.2 | |||||
| 142 | G | 52.9 | Low | 52.2 | Low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -57.5 | 128.6 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 143 | N | 49.5 | Very low | 52.8 | Low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -144.6 | 83.9 | 136.4 | -167.8 | 68.6 | 0 | 0 | 0 | 107.9 | ||||
| 144 | G | 59.8 | Low | 52.9 | Low | 75 Ų | 75 | 118 Ų | 118 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -67.7 | 125.5 | 155 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 145 | D | 58.6 | Low | 53.8 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -165.4 | 108.2 | 145.4 | -152 | 1 | 0 | 0 | 0 | 111.1 | ||||
| 146 | G | 61.6 | Low | 54.6 | Low | 65 Ų | 65 | 123.3 Ų | 123.3 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | 88.3 | 20 | 124.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 147 | L | 55.4 | Low | 55.1 | Low | 141 Ų | 141 | 119.8 Ų | 119.8 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -112.3 | 6.2 | 178.7 | -62.9 | -178.1 | 0 | 0 | 0 | 116.8 | G149 | L147-G149 PolarHBondContact O-N 3.28Š| ||
| 148 | D | 56 | Low | 55.6 | Low | 175 Ų | 175 | 119 Ų | 119 | 94% | 0.936 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 2.2 | 170.5 | -57.9 | -26.4 | 0 | 0 | 0 | 112.7 | ||
| 149 | G | 57.6 | Low | 55.9 | Low | 64 Ų | 64 | 120.4 Ų | 120.4 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -0.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | L147 S151 | L147-G149 PolarHBondContact O-N 3.28Å; G149-S151 PolarHBondContact O-N 3.16Å |
| 150 | L | 55.7 | Low | 56.3 | Low | 153 Ų | 153 | 116.8 Ų | 116.8 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | trans | -80.8 | 68.6 | 176.3 | -63.9 | 177.6 | 0 | 0 | 0 | 110.5 | ||||
| 151 | S | 58.5 | Low | 56.7 | Low | 100 Ų | 100 | 117.1 Ų | 117.1 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -65.1 | 130.2 | 166.1 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | G149 G153 | G149-S151 PolarHBondContact O-N 3.16Å; S151-G153 PolarHBondContact O-N 3.49Å | ||
| 152 | V | 57.8 | Low | 57 | Low | 130 Ų | 130 | 117.3 Ų | 117.3 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 30.9 | -175.1 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | Y155 | V152-Y155 WeakPolarHBondContact O-CE1 3.44Š|
| 153 | G | 57.9 | Low | 57 | Low | 49 Ų | 49 | 121.9 Ų | 121.9 | 51% | 0.505 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.4 | -4.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S151 Y155 | S151-G153 PolarHBondContact O-N 3.49Å; G153-Y155 VanDerWaalsContact C-N 3.34Å; G153-Y155 PolarHBondContact O-N 3.37Å |
| 154 | S | 57.2 | Low | 56.9 | Low | 93 Ų | 93 | 120.3 Ų | 120.3 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -87.1 | 12 | -172.3 | -170.3 | 0 | 0 | 0 | 0 | 115.3 | L156 | S154-L156 VanDerWaalsContact C-N 3.34Å; S154-L156 PolarHBondContact O-N 2.81Å |
| 155 | Y | 59.8 | Low | 56.2 | Low | 158 Ų | 158 | 119.6 Ų | 119.6 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -84.9 | -2.1 | -176 | 49.5 | -106.3 | 0 | 0 | 0 | 114.5 | V152 G153 | V152-Y155 WeakPolarHBondContact O-CE1 3.44Å; G153-Y155 VanDerWaalsContact C-N 3.34Å; G153-Y155 PolarHBondContact O-N 3.37Å |
| 156 | L | 62.9 | Low | 55.3 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -98 | -11 | -178.7 | -67.2 | -179.4 | 0 | 0 | 0 | 114.5 | S154 | S154-L156 VanDerWaalsContact C-N 3.34Å; S154-L156 PolarHBondContact O-N 2.81Å |
| 157 | D | 60.9 | Low | 54.6 | Low | 129 Ų | 129 | 122.7 Ų | 122.7 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -87.7 | -11.2 | -173 | -156.2 | 42.9 | 0 | 0 | 0 | 113.5 | ||
| 158 | T | 55.1 | Low | 53.9 | Low | 114 Ų | 114 | 121.5 Ų | 121.5 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -90.9 | 0.7 | -179.7 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 159 | L | 53.5 | Low | 53.4 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -94 | -0.5 | 177.2 | -59.5 | -176.6 | 0 | 0 | 0 | 113.3 | ||
| 160 | A | 59.1 | Low | 52.8 | Low | 79 Ų | 79 | 121.3 Ų | 121.3 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -106.6 | -3.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 161 | E | 56.7 | Low | 52.6 | Low | 165 Ų | 165 | 120.2 Ų | 120.2 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -105.5 | 122.9 | -177.4 | -69.1 | -82.8 | 127.3 | 0 | 0 | 111.8 | ||
| 162 | D | 49.8 | Very low | 52.3 | Low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | 81.9 | 69.4 | 165.2 | -62.6 | -18.2 | 0 | 0 | 0 | 120.1 | ||||
| 163 | L | 52.9 | Low | 52 | Low | 163 Ų | 163 | 121.7 Ų | 121.7 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -106.2 | 98 | 144.6 | -172.5 | 68.1 | 0 | 0 | 0 | 109.8 | G165 | L163-G165 PolarHBondContact O-N 3.36Š| ||
| 164 | P | 47.2 | Very low | 51.5 | Low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -68.9 | 117.9 | 160.1 | 27.9 | -29.5 | 0 | 0 | 0 | 107.6 | ||||
| 165 | G | 45.8 | Very low | 51 | Low | 59 Ų | 59 | 131.2 Ų | 131.2 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | trans | -59.6 | 142.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L163 | L163-G165 PolarHBondContact O-N 3.36Š| ||
| 166 | D | 39.5 | Very low | 50.3 | Low | 168 Ų | 168 | 130.2 Ų | 130.2 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | -151.2 | 132.5 | 139.2 | -96.6 | -29.1 | 0 | 0 | 0 | 110.1 | ||||
| 167 | S | 47.8 | Very low | 49.9 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -61.2 | 133.8 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 168 | S | 39.7 | Very low | 49 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | -176.1 | 138.6 | 136.9 | -79.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 169 | P | 47.1 | Very low | 48.7 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -80.6 | 148.8 | 175.6 | 32.5 | -31.4 | 0 | 0 | 0 | 111.8 | T171 | P169-T171 PolarHBondContact O-N 2.96Š| ||
| 170 | P | 43.4 | Very low | 48.4 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -85.5 | 96.1 | -176.1 | 33.1 | -30.9 | 0 | 0 | 0 | 111.3 | ||||
| 171 | T | 52.6 | Low | 48.1 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -96.3 | 40.5 | 171.2 | -41.9 | 0 | 0 | 0 | 0 | 111.8 | P169 | P169-T171 PolarHBondContact O-N 2.96Š| ||
| 172 | D | 51.6 | Low | 47.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | trans | -125.7 | 9.1 | -174.7 | -150.3 | 19.7 | 0 | 0 | 0 | 114.7 | ||||
| 173 | L | 52.6 | Low | 46.9 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -78.8 | -26.1 | 175.6 | -159.8 | 66.5 | 0 | 0 | 0 | 112.6 | ||
| 174 | D | 46.4 | Very low | 46.7 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -77.5 | -25.1 | -179.1 | -80.4 | -22.1 | 0 | 0 | 0 | 113.3 | L176 | D174-L176 VanDerWaalsContact C-N 3.35Å; D174-L176 PolarHBondContact O-N 3.38Å |
| 175 | R | 47.7 | Very low | 46.5 | Very low | 201 Ų | 201 | 130.3 Ų | 130.3 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -17.3 | -177.7 | -165 | 171.4 | 177.2 | 173.8 | -1.4 | 113.6 | ||
| 176 | L | 44.8 | Very low | 46.3 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -23.6 | -178.9 | -155.3 | 111 | 0 | 0 | 0 | 112.7 | D174 | D174-L176 VanDerWaalsContact C-N 3.35Å; D174-L176 PolarHBondContact O-N 3.38Å |
| 177 | M | 53.3 | Low | 46.4 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 66% | 0.655 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -79.1 | -24.3 | -177.8 | -75.7 | -92.1 | 54.2 | 0 | 0 | 113.7 | K179 A180 | M177-K179 VanDerWaalsContact C-N 3.28Å; M177-K179 PolarHBondContact O-N 2.85Å; M177-A180 HydrophobicContact CE-CB 4.49Å |
| 178 | D | 43.3 | Very low | 46.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -77.9 | -9 | 180 | -81.2 | -14.7 | 0 | 0 | 0 | 114.2 | ||
| 179 | K | 47.5 | Very low | 46.4 | Very low | 186 Ų | 186 | 139 Ų | 139 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -104 | 1.1 | -177.5 | -138.9 | 170.8 | -174.8 | -80.8 | 0 | 114.5 | M177 V181 | M177-K179 VanDerWaalsContact C-N 3.28Å; M177-K179 PolarHBondContact O-N 2.85Å; K179-V181 VanDerWaalsContact C-N 3.33Å |
| 180 | A | 47.6 | Very low | 46.4 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -91 | 6.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M177 | M177-A180 HydrophobicContact CE-CB 4.49Š|
| 181 | V | 52.8 | Low | 46.5 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -98.5 | 95.6 | 163.1 | 176.2 | 0 | 0 | 0 | 0 | 106.3 | K179 | K179-V181 VanDerWaalsContact C-N 3.33Š| ||
| 182 | I | 45.5 | Very low | 46.3 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 177.7 | 124.8 | 149.4 | -87.9 | 148.9 | 0 | 0 | 0 | 109.3 | ||
| 183 | S | 35.3 | Very low | 46.1 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 72.7 | 100 | 155.1 | -67.5 | 0 | 0 | 0 | 0 | 120.5 | E185 | S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 PolarHBondContact O-N 3.29Å | ||
| 184 | G | 48.5 | Very low | 45.5 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 96% | 0.959 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -75.4 | 64.8 | 161 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 185 | E | 44.9 | Very low | 45.6 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -150.6 | 65.4 | 177.3 | -164.2 | 149.1 | -156.8 | 0 | 0 | 113 | S183 | S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 PolarHBondContact O-N 3.29Å | ||
| 186 | S | 40.4 | Very low | 45.4 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -144.6 | 1.2 | 171.8 | -151.6 | 0 | 0 | 0 | 0 | 116.5 | T188 | S186-T188 PolarHBondContact O-N 2.75Š| ||
| 187 | F | 42 | Very low | 45.3 | Very low | 219 Ų | 219 | 142.6 Ų | 142.6 | 96% | 0.961 | 77% | 0.77 | S | S | * | * | trans | -83.3 | 8.7 | 177.7 | -67 | -67.7 | 0 | 0 | 0 | 114.7 | K189 | F187-K189 PolarHBondContact O-N 3.48Š| ||
| 188 | T | 44.7 | Very low | 45.1 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -99.5 | 64.5 | 171.2 | 61.1 | 0 | 0 | 0 | 0 | 110.9 | S186 | S186-T188 PolarHBondContact O-N 2.75Š| ||
| 189 | K | 43.6 | Very low | 45.2 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -135.1 | 105 | 162.9 | -147.6 | 174.5 | -175.8 | -178.7 | 0 | 109.4 | F187 | F187-K189 PolarHBondContact O-N 3.48Š| ||
| 190 | S | 46.1 | Very low | 45.5 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 144.7 | 172.7 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | L192 | S190-L192 PolarHBondContact O-N 2.85Š|
| 191 | P | 46.3 | Very low | 45.7 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.4 | 174.9 | -17.1 | 29.2 | 0 | 0 | 0 | 109.2 | K193 | P191-K193 PolarHBondContact O-N 3.48Å; P191-K193 VanDerWaalsContact O-N 3.17Å |
| 192 | L | 47.3 | Very low | 45.8 | Very low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.3 | 175.3 | -67.7 | 166.5 | 0 | 0 | 0 | 108.6 | S190 L194 | S190-L192 PolarHBondContact O-N 2.85Å; L192-L194 PolarHBondContact O-N 2.76Å |
| 193 | K | 47.4 | Very low | 46.4 | Very low | 206 Ų | 206 | 148.6 Ų | 148.6 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -57.2 | 107.7 | 164.9 | -93.6 | -160.1 | 169 | -173.8 | 0 | 107.6 | P191 R195 | P191-K193 PolarHBondContact O-N 3.48Å; P191-K193 VanDerWaalsContact O-N 3.17Å; K193-R195 VanDerWaalsContact C-N 3.28Å; K193-R195 PolarHBondContact O-N 3.25Å | ||
| 194 | L | 39.1 | Very low | 47.1 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 95.7 | 160.7 | -159.5 | 93.5 | 0 | 0 | 0 | 106.2 | L192 V196 | L192-L194 PolarHBondContact O-N 2.76Å; L194-V196 VanDerWaalsContact C-N 3.26Å; L194-V196 HydrophobicContact CD2-CG2 3.79Å; L194-V196 HydrophobicContact CG-CG2 4.47Å; L194-V196 PolarHBondContact O-N 2.99Å | ||
| 195 | R | 49.3 | Very low | 46.8 | Very low | 208 Ų | 208 | 163.3 Ų | 163.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -70.6 | 91.3 | 169.3 | -175.2 | 177.1 | 178.1 | 121.7 | 0 | 105.9 | K193 E197 | K193-R195 VanDerWaalsContact C-N 3.28Å; K193-R195 PolarHBondContact O-N 3.25Å; R195-E197 IonicContact NE-OE1 3.87Å; R195-E197 PolarHBondContact O-N 3.06Å | ||
| 196 | V | 44.3 | Very low | 46.9 | Very low | 107 Ų | 107 | 163 Ų | 163 | 65% | 0.648 | 80% | 0.8 | S | S | * | * | trans | -67.9 | 109.4 | 164.8 | 175.9 | 0 | 0 | 0 | 0 | 105.5 | L194 S198 | L194-V196 VanDerWaalsContact C-N 3.26Å; L194-V196 HydrophobicContact CD2-CG2 3.79Å; L194-V196 HydrophobicContact CG-CG2 4.47Å; L194-V196 PolarHBondContact O-N 2.99Å; V196-S198 PolarHBondContact O-N 3.49Å; V196-S198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | E | 43 | Very low | 47.2 | Very low | 131 Ų | 131 | 166.2 Ų | 166.2 | 61% | 0.612 | 81% | 0.805 | S | S | * | * | trans | -61.4 | 103.1 | 169.3 | -144 | 77.3 | -121.3 | 0 | 0 | 106.8 | R195 D199 | R195-E197 IonicContact NE-OE1 3.87Å; R195-E197 PolarHBondContact O-N 3.06Å; E197-D199 PolarHBondContact O-N 3.2Å | ||
| 198 | S | 47.7 | Very low | 47.5 | Very low | 111 Ų | 111 | 163.3 Ų | 163.3 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 82.9 | 172.4 | 53.8 | 0 | 0 | 0 | 0 | 108.1 | V196 E200 | V196-S198 PolarHBondContact O-N 3.49Å; V196-S198 VanDerWaalsContact O-N 3.08Å; S198-E200 PolarHBondContact O-N 3.37Å | ||
| 199 | D | 46.3 | Very low | 47.7 | Very low | 126 Ų | 126 | 165 Ų | 165 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 117.9 | 167.1 | -88.2 | -13.5 | 0 | 0 | 0 | 109.6 | E197 | E197-D199 PolarHBondContact O-N 3.2Š| ||
| 200 | E | 53.3 | Low | 48 | Very low | 162 Ų | 162 | 164.4 Ų | 164.4 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | 36.8 | 94.2 | 137.9 | -63.2 | 179.7 | 170.6 | 0 | 0 | 118.2 | S198 | S198-E200 PolarHBondContact O-N 3.37Š| ||
| 201 | Y | 52.8 | Low | 48.1 | Very low | 227 Ų | 227 | 168.9 Ų | 168.9 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -134.9 | 91.8 | 140.9 | -85.4 | -82.4 | 0 | 0 | 0 | 110.2 | ||||
| 202 | Y | 55 | Low | 48.2 | Very low | 192 Ų | 192 | 172 Ų | 172 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -65.2 | 125.4 | 155 | -91.1 | -90 | 0 | 0 | 0 | 108.9 | F204 | Y202-F204 HydrophobicContact CD1-CD2 4.34Å; Y202-F204 AromaticContact CD1-CE2 3.58Å; Y202-F204 HydrophobicContact CD1-CE2 3.58Å; Y202-F204 AromaticContact CD1-CZ 3.81Å; Y202-F204 HydrophobicContact CD1-CZ 3.81Å; Y202-F204 HydrophobicContact CE1-CE2 4.12Å; Y202-F204 AromaticContact CE1-CZ 3.88Å; Y202-F204 HydrophobicContact CE1-CZ 3.88Å | ||
| 203 | C | 57.7 | Low | 48.3 | Very low | 124 Ų | 124 | 173.5 Ų | 173.5 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -145.5 | 109.8 | 150.3 | -85.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 204 | F | 48.7 | Very low | 48.4 | Very low | 185 Ų | 185 | 170.8 Ų | 170.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -67.7 | 132.6 | 171.7 | -64.4 | -95 | 0 | 0 | 0 | 110.6 | Y202 | Y202-F204 HydrophobicContact CD1-CD2 4.34Å; Y202-F204 AromaticContact CD1-CE2 3.58Å; Y202-F204 HydrophobicContact CD1-CE2 3.58Å; Y202-F204 AromaticContact CD1-CZ 3.81Å; Y202-F204 HydrophobicContact CD1-CZ 3.81Å; Y202-F204 HydrophobicContact CE1-CE2 4.12Å; Y202-F204 AromaticContact CE1-CZ 3.88Å; Y202-F204 HydrophobicContact CE1-CZ 3.88Å | ||
| 205 | R | 43.2 | Very low | 49.2 | Very low | 321 Ų | 321 | 172.2 Ų | 172.2 | 100% | 1.211 | 80% | 0.796 | S | S | * | * | 178.7 | 0 | 118.5 | -164.2 | 170.8 | -171.6 | 134.9 | -0.4 | 111.1 |
Retrieved 205 of 205 residues in 216.1 ms
(Link to these results)