| 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 | 66.3 | Low | 85.3 | Confident | 200 Ų | 200 | 130 Ų | 130 | 99% | 0.985 | 64% | 0.637 | S | S | * | * | 0 | -45.8 | 0 | -60 | -45.6 | -140.7 | 0 | 0 | 114.5 | L3 W4 | M1-L3 PolarHBondContact O-N 3.45Å; M1-W4 PolarHBondContact O-N 3.15Å | |||
| 2 | R | 78.2 | Confident | 85.8 | Confident | 222 Ų | 222 | 128.6 Ų | 128.6 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.4 | -34 | -172.9 | -65.2 | -179.8 | -178.5 | 152.1 | 0.2 | 115.5 | W4 L5 F6 | R2-W4 PolarHBondContact O-N 3.32Å; R2-L5 PolarHBondContact O-N 3.4Å; R2-F6 PolarHBondContact O-N 3.11Å; R2-F6 VanDerWaalsContact O-N 3.1Å |
| 3 | L | 83 | Confident | 86.1 | Confident | 149 Ų | 149 | 123.2 Ų | 123.2 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.8 | -34.6 | 178.8 | -71.6 | 168.3 | 0 | 0 | 0 | 112.7 | M1 F6 A7 | M1-L3 PolarHBondContact O-N 3.45Å; L3-F6 PolarHBondContact O-N 3.39Å; L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 3.44Å |
| 4 | W | 86.1 | Confident | 86.4 | Confident | 197 Ų | 197 | 121.4 Ų | 121.4 | 75% | 0.746 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.5 | -41.2 | 177.8 | -71.3 | 86.1 | 0 | 0 | 0 | 112 | M1 R2 F6 A7 L8 | M1-W4 PolarHBondContact O-N 3.15Å; R2-W4 PolarHBondContact O-N 3.32Å; W4-F6 VanDerWaalsContact C-N 3.34Å; W4-A7 PolarHBondContact O-N 3.35Å; W4-L8 WeakPolarHBondContact O-CG 3.43Å; W4-L8 PolarHBondContact O-N 3.4Å |
| 5 | L | 87.4 | Confident | 86.7 | Confident | 114 Ų | 114 | 119 Ų | 119 | 60% | 0.597 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.6 | -40.3 | 175.2 | -66.2 | 175.9 | 0 | 0 | 0 | 111.4 | R2 L8 L9 | R2-L5 PolarHBondContact O-N 3.4Å; L5-L8 PolarHBondContact O-N 3.05Å; L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.17Å |
| 6 | F | 85.7 | Confident | 86.8 | Confident | 141 Ų | 141 | 116.5 Ų | 116.5 | 62% | 0.618 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.6 | -43.9 | 176.2 | -171.1 | -98.4 | 0 | 0 | 0 | 111.7 | R2 L3 W4 L8 L9 V10 | R2-F6 PolarHBondContact O-N 3.11Å; R2-F6 VanDerWaalsContact O-N 3.1Å; L3-F6 PolarHBondContact O-N 3.39Å; W4-F6 VanDerWaalsContact C-N 3.34Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 2.99Å; F6-L9 PolarHBondContact O-N 3.22Å; F6-V10 HydrophobicContact CD1-CG2 4.05Å; F6-V10 HydrophobicContact CE1-CG2 3.69Å; F6-V10 HydrophobicContact CZ-CG2 4.01Å; F6-V10 WeakPolarHBondContact O-CG2 3.43Å; F6-V10 PolarHBondContact O-N 3.07Å |
| 7 | A | 89 | Confident | 86.8 | Confident | 49 Ų | 49 | 117.6 Ų | 117.6 | 41% | 0.405 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.8 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L3 W4 L9 V10 C11 | L3-A7 WeakPolarHBondContact O-CB 3.44Å; L3-A7 PolarHBondContact O-N 3.44Å; W4-A7 PolarHBondContact O-N 3.35Å; A7-L9 PolarHBondContact O-N 3.2Å; A7-V10 PolarHBondContact O-N 3.17Å; A7-C11 WeakPolarHBondContact O-CB 3.41Å; A7-C11 PolarHBondContact O-N 3.38Å; A7-C11 PolarHBondContact O-SG 3.42Å |
| 8 | L | 89.6 | Confident | 86.7 | Confident | 108 Ų | 108 | 115.1 Ų | 115.1 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.3 | -41.2 | 176 | -73.6 | 173.9 | 0 | 0 | 0 | 112.6 | W4 L5 F6 C11 L12 | W4-L8 WeakPolarHBondContact O-CG 3.43Å; W4-L8 PolarHBondContact O-N 3.4Å; L5-L8 PolarHBondContact O-N 3.05Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 2.99Å; L8-C11 PolarHBondContact O-N 3.07Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.49Å |
| 9 | L | 89.7 | Confident | 86.4 | Confident | 114 Ų | 114 | 112.9 Ų | 112.9 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 176.4 | -73.8 | 173.8 | 0 | 0 | 0 | 112.1 | L5 F6 A7 L12 A13 | L5-L9 WeakPolarHBondContact O-CG 3.45Å; L5-L9 PolarHBondContact O-N 3.17Å; F6-L9 PolarHBondContact O-N 3.22Å; A7-L9 PolarHBondContact O-N 3.2Å; L9-L12 PolarHBondContact O-N 3.16Å; L9-A13 WeakPolarHBondContact O-CB 3.38Å; L9-A13 PolarHBondContact O-N 3.29Å |
| 10 | V | 92.1 | Very high | 86 | Confident | 61 Ų | 61 | 113.1 Ų | 113.1 | 37% | 0.37 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.5 | -42.3 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | F6 A7 L12 A13 I14 | F6-V10 HydrophobicContact CD1-CG2 4.05Å; F6-V10 HydrophobicContact CE1-CG2 3.69Å; F6-V10 HydrophobicContact CZ-CG2 4.01Å; F6-V10 WeakPolarHBondContact O-CG2 3.43Å; F6-V10 PolarHBondContact O-N 3.07Å; A7-V10 PolarHBondContact O-N 3.17Å; V10-L12 PolarHBondContact O-N 3.28Å; V10-A13 PolarHBondContact O-N 3.35Å; V10-I14 HydrophobicContact CG1-CD1 3.79Å; V10-I14 HydrophobicContact CG1-CG1 4.41Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; V10-I14 PolarHBondContact O-N 3.4Å |
| 11 | C | 91.7 | Very high | 85.3 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 51% | 0.507 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.5 | -46.1 | 174.4 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | A7 L8 A13 I14 V15 | A7-C11 WeakPolarHBondContact O-CB 3.41Å; A7-C11 PolarHBondContact O-N 3.38Å; A7-C11 PolarHBondContact O-SG 3.42Å; L8-C11 PolarHBondContact O-N 3.07Å; C11-A13 PolarHBondContact O-N 3.38Å; C11-I14 PolarHBondContact O-N 3.43Å; C11-V15 WeakPolarHBondContact O-CG2 3.49Å; C11-V15 PolarHBondContact O-N 3.18Å |
| 12 | L | 90.5 | Very high | 85.4 | Confident | 113 Ų | 113 | 104.9 Ų | 104.9 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 176.2 | -77.5 | 170.5 | 0 | 0 | 0 | 111.9 | L8 L9 V10 I14 V15 V16 | L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.16Å; V10-L12 PolarHBondContact O-N 3.28Å; L12-I14 PolarHBondContact O-N 3.1Å; L12-V15 PolarHBondContact O-N 3.36Å; L12-V16 WeakPolarHBondContact O-CG2 3.18Å; L12-V16 PolarHBondContact O-N 3.33Å |
| 13 | A | 90.1 | Very high | 84.7 | Confident | 59 Ų | 59 | 100.2 Ų | 100.2 | 49% | 0.488 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L9 V10 C11 V16 F17 | L9-A13 WeakPolarHBondContact O-CB 3.38Å; L9-A13 PolarHBondContact O-N 3.29Å; V10-A13 PolarHBondContact O-N 3.35Å; C11-A13 PolarHBondContact O-N 3.38Å; A13-V16 PolarHBondContact O-N 3.43Å; A13-F17 VanDerWaalsContact O-CB 3.29Å; A13-F17 WeakPolarHBondContact O-CB 3.4Å; A13-F17 PolarHBondContact O-N 3.44Å |
| 14 | I | 91.1 | Very high | 83.7 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.5 | -66.3 | 165.3 | 0 | 0 | 0 | 110.8 | V10 C11 L12 F17 T18 | V10-I14 HydrophobicContact CG1-CD1 3.79Å; V10-I14 HydrophobicContact CG1-CG1 4.41Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; V10-I14 PolarHBondContact O-N 3.4Å; C11-I14 PolarHBondContact O-N 3.43Å; L12-I14 PolarHBondContact O-N 3.1Å; I14-F17 PolarHBondContact O-N 3.41Å; I14-T18 HydrophobicContact CG2-CG2 4.24Å; I14-T18 WeakPolarHBondContact O-CB 3.38Å; I14-T18 VanDerWaalsContact O-CG2 3.25Å; I14-T18 WeakPolarHBondContact O-CG2 3.45Å; I14-T18 PolarHBondContact O-N 3.39Å; I14-T18 PolarHBondContact O-OG1 3.44Å |
| 15 | V | 90.4 | Very high | 82.5 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | C11 L12 F17 T18 V19 | C11-V15 WeakPolarHBondContact O-CG2 3.49Å; C11-V15 PolarHBondContact O-N 3.18Å; L12-V15 PolarHBondContact O-N 3.36Å; V15-F17 PolarHBondContact O-N 3.23Å; V15-T18 WeakPolarHBondContact CA-OG1 3.33Å; V15-T18 PolarHBondContact O-N 3.22Å; V15-T18 PolarHBondContact O-OG1 3.46Å; V15-V19 VanDerWaalsContact O-CG2 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.25Å; V15-V19 PolarHBondContact O-N 3.24Å |
| 16 | V | 88.8 | Confident | 81.2 | Confident | 79 Ų | 79 | 93.8 Ų | 93.8 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L12 A13 T18 V19 E20 | L12-V16 WeakPolarHBondContact O-CG2 3.18Å; L12-V16 PolarHBondContact O-N 3.33Å; A13-V16 PolarHBondContact O-N 3.43Å; V16-T18 VanDerWaalsContact C-N 3.32Å; V16-T18 PolarHBondContact O-N 3.47Å; V16-V19 PolarHBondContact O-N 3.1Å; V16-E20 HydrophobicContact CG1-CG 4.36Å; V16-E20 WeakPolarHBondContact O-CB 3.18Å; V16-E20 WeakPolarHBondContact O-CG 2.89Å; V16-E20 PolarHBondContact O-N 3.35Å |
| 17 | F | 85.4 | Confident | 79.7 | Confident | 136 Ų | 136 | 90 Ų | 90 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.7 | -33.2 | -178.4 | -152.1 | -102.2 | 0 | 0 | 0 | 112.7 | A13 I14 V15 N21 | A13-F17 VanDerWaalsContact O-CB 3.29Å; A13-F17 WeakPolarHBondContact O-CB 3.4Å; A13-F17 PolarHBondContact O-N 3.44Å; I14-F17 PolarHBondContact O-N 3.41Å; V15-F17 PolarHBondContact O-N 3.23Å; F17-N21 WeakPolarHBondContact CD1-ND2 3.22Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.38Å; F17-N21 VanDerWaalsContact O-CB 3.23Å; F17-N21 WeakPolarHBondContact O-CB 3.04Å; F17-N21 PolarHBondContact O-N 3Å; F17-N21 PolarHBondContact O-ND2 3.42Å |
| 18 | T | 85.6 | Confident | 77.9 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73 | -41 | 175.5 | 53 | 0 | 0 | 0 | 0 | 111.9 | I14 V15 V16 N21 V22 | I14-T18 HydrophobicContact CG2-CG2 4.24Å; I14-T18 WeakPolarHBondContact O-CB 3.38Å; I14-T18 VanDerWaalsContact O-CG2 3.25Å; I14-T18 WeakPolarHBondContact O-CG2 3.45Å; I14-T18 PolarHBondContact O-N 3.39Å; I14-T18 PolarHBondContact O-OG1 3.44Å; V15-T18 WeakPolarHBondContact CA-OG1 3.33Å; V15-T18 PolarHBondContact O-N 3.22Å; V15-T18 PolarHBondContact O-OG1 3.46Å; V16-T18 VanDerWaalsContact C-N 3.32Å; V16-T18 PolarHBondContact O-N 3.47Å; T18-N21 PolarHBondContact O-N 3.29Å; T18-V22 WeakPolarHBondContact O-CB 3.09Å; T18-V22 WeakPolarHBondContact O-CG2 3.21Å; T18-V22 PolarHBondContact O-N 3.35Å |
| 19 | V | 81.9 | Confident | 76.1 | Confident | 74 Ų | 74 | 93.4 Ų | 93.4 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | V15 V16 N21 V22 E23 | V15-V19 VanDerWaalsContact O-CG2 3.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.25Å; V15-V19 PolarHBondContact O-N 3.24Å; V16-V19 PolarHBondContact O-N 3.1Å; V19-N21 PolarHBondContact O-N 3.42Å; V19-V22 PolarHBondContact O-N 3.49Å; V19-E23 WeakPolarHBondContact O-CB 3.49Å; V19-E23 WeakPolarHBondContact O-CG 3.25Å; V19-E23 PolarHBondContact O-N 3.46Å |
| 20 | E | 77.1 | Confident | 74.2 | Confident | 116 Ų | 116 | 96.6 Ų | 96.6 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 178 | -72.9 | -175 | 169.1 | 0 | 0 | 112.4 | V16 E23 A24 | V16-E20 HydrophobicContact CG1-CG 4.36Å; V16-E20 WeakPolarHBondContact O-CB 3.18Å; V16-E20 WeakPolarHBondContact O-CG 2.89Å; V16-E20 PolarHBondContact O-N 3.35Å; E20-E23 PolarHBondContact O-N 2.96Å; E20-A24 WeakPolarHBondContact O-CA 3.41Å; E20-A24 WeakPolarHBondContact O-CB 3.34Å; E20-A24 PolarHBondContact O-N 3.17Å |
| 21 | N | 71.9 | Confident | 72.2 | Confident | 66 Ų | 66 | 101.7 Ų | 101.7 | 35% | 0.353 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 175.4 | -87.1 | -65.3 | 0 | 0 | 0 | 112.9 | F17 T18 V19 K25 | F17-N21 WeakPolarHBondContact CD1-ND2 3.22Å; F17-N21 WeakPolarHBondContact CE1-ND2 3.38Å; F17-N21 VanDerWaalsContact O-CB 3.23Å; F17-N21 WeakPolarHBondContact O-CB 3.04Å; F17-N21 PolarHBondContact O-N 3Å; F17-N21 PolarHBondContact O-ND2 3.42Å; T18-N21 PolarHBondContact O-N 3.29Å; V19-N21 PolarHBondContact O-N 3.42Å; N21-K25 VanDerWaalsContact O-CB 3.24Å; N21-K25 WeakPolarHBondContact O-CB 3.41Å; N21-K25 WeakPolarHBondContact O-CG 3.3Å; N21-K25 PolarHBondContact O-N 3.31Å |
| 22 | V | 68.9 | Low | 70 | Confident | 74 Ų | 74 | 101 Ų | 101 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 175.3 | 169.8 | 0 | 0 | 0 | 0 | 110 | T18 V19 K25 K26 | T18-V22 WeakPolarHBondContact O-CB 3.09Å; T18-V22 WeakPolarHBondContact O-CG2 3.21Å; T18-V22 PolarHBondContact O-N 3.35Å; V19-V22 PolarHBondContact O-N 3.49Å; V22-K25 PolarHBondContact O-N 3.18Å; V22-K26 HydrophobicContact CG1-CD 4.3Å; V22-K26 VanDerWaalsContact O-CG 3.3Å; V22-K26 WeakPolarHBondContact O-CG 3.29Å; V22-K26 PolarHBondContact O-N 3.37Å |
| 23 | E | 63.7 | Low | 67.9 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 174.5 | -72.4 | -168.8 | 166.3 | 0 | 0 | 112.2 | V19 E20 K25 K26 A27 | V19-E23 WeakPolarHBondContact O-CB 3.49Å; V19-E23 WeakPolarHBondContact O-CG 3.25Å; V19-E23 PolarHBondContact O-N 3.46Å; E20-E23 PolarHBondContact O-N 2.96Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.04Å; E23-K26 CarbonylContact O-C 3.55Å; E23-K26 PolarHBondContact O-N 3.39Å; E23-A27 VanDerWaalsContact O-CB 3.25Å; E23-A27 WeakPolarHBondContact O-CB 2.91Å; E23-A27 PolarHBondContact O-N 3.39Å |
| 24 | A | 62.1 | Low | 65.7 | Low | 35 Ų | 35 | 104.1 Ų | 104.1 | 29% | 0.289 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E20 A27 K28 | E20-A24 WeakPolarHBondContact O-CA 3.41Å; E20-A24 WeakPolarHBondContact O-CB 3.34Å; E20-A24 PolarHBondContact O-N 3.17Å; A24-A27 PolarHBondContact O-N 2.78Å; A24-K28 WeakPolarHBondContact O-CB 3.14Å; A24-K28 WeakPolarHBondContact O-CG 3.34Å; A24-K28 PolarHBondContact O-N 2.97Å |
| 25 | K | 60.6 | Low | 63.6 | Low | 152 Ų | 152 | 105.7 Ų | 105.7 | 66% | 0.661 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.6 | -38.3 | 172.2 | -78.3 | 175.9 | -179.6 | -178.9 | 0 | 111.4 | N21 V22 E23 S29 | N21-K25 VanDerWaalsContact O-CB 3.24Å; N21-K25 WeakPolarHBondContact O-CB 3.41Å; N21-K25 WeakPolarHBondContact O-CG 3.3Å; N21-K25 PolarHBondContact O-N 3.31Å; V22-K25 PolarHBondContact O-N 3.18Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 3.04Å; K25-S29 WeakPolarHBondContact O-CB 3.19Å; K25-S29 PolarHBondContact O-N 3.01Å |
| 26 | K | 58.8 | Low | 61.4 | Low | 138 Ų | 138 | 108.7 Ų | 108.7 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -71.3 | -34.5 | 174.4 | -71.6 | 174.3 | -177.6 | 178.8 | 0 | 112.8 | V22 E23 K30 | V22-K26 HydrophobicContact CG1-CD 4.3Å; V22-K26 VanDerWaalsContact O-CG 3.3Å; V22-K26 WeakPolarHBondContact O-CG 3.29Å; V22-K26 PolarHBondContact O-N 3.37Å; E23-K26 CarbonylContact O-C 3.55Å; E23-K26 PolarHBondContact O-N 3.39Å; K26-K30 PolarHBondContact O-N 3.26Å |
| 27 | A | 54.2 | Low | 59.3 | Low | 60 Ų | 60 | 111.6 Ų | 111.6 | 50% | 0.496 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.7 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E23 A24 K31 | E23-A27 VanDerWaalsContact O-CB 3.25Å; E23-A27 WeakPolarHBondContact O-CB 2.91Å; E23-A27 PolarHBondContact O-N 3.39Å; A24-A27 PolarHBondContact O-N 2.78Å; A27-K31 VanDerWaalsContact O-CB 3.29Å; A27-K31 WeakPolarHBondContact O-CB 3.28Å; A27-K31 PolarHBondContact O-N 3.13Å |
| 28 | K | 51.8 | Low | 57.5 | Low | 153 Ų | 153 | 109 Ų | 109 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.8 | -32.7 | 173.8 | -68.9 | 178 | -177.9 | -178.2 | 0 | 111.9 | A24 K30 K31 S32 | A24-K28 WeakPolarHBondContact O-CB 3.14Å; A24-K28 WeakPolarHBondContact O-CG 3.34Å; A24-K28 PolarHBondContact O-N 2.97Å; K28-K30 VanDerWaalsContact C-N 3.3Å; K28-K30 PolarHBondContact O-N 2.97Å; K28-K31 PolarHBondContact O-N 3.14Å; K28-S32 PolarHBondContact O-N 3.45Å; K28-S32 PolarHBondContact O-OG 3.03Å |
| 29 | S | 51.2 | Low | 55.6 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 53% | 0.531 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -73.6 | -19.1 | 176.6 | 94 | 0 | 0 | 0 | 0 | 114 | K25 | K25-S29 WeakPolarHBondContact O-CB 3.19Å; K25-S29 PolarHBondContact O-N 3.01Å |
| 30 | K | 50.2 | Low | 54 | Low | 181 Ų | 181 | 109.8 Ų | 109.8 | 79% | 0.787 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -95.2 | -10.4 | 171.2 | -70.7 | -170.3 | 177.5 | -177.8 | 0 | 113.8 | K26 K28 | K26-K30 PolarHBondContact O-N 3.26Å; K28-K30 VanDerWaalsContact C-N 3.3Å; K28-K30 PolarHBondContact O-N 2.97Å |
| 31 | K | 49.4 | Very low | 52.4 | Low | 168 Ų | 168 | 107 Ų | 107 | 73% | 0.73 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -109.7 | -13.3 | -177.9 | -143.3 | 154.8 | -176.1 | 174.2 | 0 | 114.9 | A27 K28 | A27-K31 VanDerWaalsContact O-CB 3.29Å; A27-K31 WeakPolarHBondContact O-CB 3.28Å; A27-K31 PolarHBondContact O-N 3.13Å; K28-K31 PolarHBondContact O-N 3.14Å |
| 32 | S | 45.9 | Very low | 51.2 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -97.5 | -22.8 | 174 | 67.9 | 0 | 0 | 0 | 0 | 115 | K28 S34 Q35 E36 | K28-S32 PolarHBondContact O-N 3.45Å; K28-S32 PolarHBondContact O-OG 3.03Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 3.45Å; S32-Q35 PolarHBondContact O-N 3.08Å; S32-E36 PolarHBondContact O-N 3.14Å |
| 33 | R | 46.1 | Very low | 50.2 | Low | 165 Ų | 165 | 117.8 Ų | 117.8 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -16.8 | 179.7 | -155 | 173.4 | -165.7 | 172.6 | 5.1 | 113.9 | R37 | R33-R37 VanDerWaalsContact O-CB 3.25Å; R33-R37 WeakPolarHBondContact O-CB 3.24Å; R33-R37 WeakPolarHBondContact O-CD 3.49Å; R33-R37 VanDerWaalsContact O-CG 3.25Å; R33-R37 WeakPolarHBondContact O-CG 3.32Å |
| 34 | S | 44.9 | Very low | 49.4 | Very low | 74 Ų | 74 | 115.9 Ų | 115.9 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.9 | -18.3 | 171.3 | 83.3 | 0 | 0 | 0 | 0 | 112.9 | S32 T38 | S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 3.45Å; S34-T38 WeakPolarHBondContact O-CB 3.49Å; S34-T38 WeakPolarHBondContact O-CG2 3.32Å; S34-T38 PolarHBondContact O-N 2.91Å; S34-T38 PolarHBondContact O-OG1 2.84Å |
| 35 | Q | 47.3 | Very low | 48.6 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 61% | 0.612 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -87.8 | -39.6 | 179.7 | -158.4 | 171.8 | 9.7 | 0 | 0 | 112.3 | S32 T38 V39 | S32-Q35 PolarHBondContact O-N 3.08Å; Q35-T38 VanDerWaalsContact CA-OG1 3.28Å; Q35-T38 WeakPolarHBondContact CA-OG1 3.47Å; Q35-T38 PolarHBondContact O-N 3.43Å; Q35-T38 PolarHBondContact O-OG1 2.99Å; Q35-V39 WeakPolarHBondContact O-CB 3.45Å; Q35-V39 VanDerWaalsContact O-CG2 3.32Å; Q35-V39 WeakPolarHBondContact O-CG2 3.25Å; Q35-V39 PolarHBondContact O-N 3.19Å |
| 36 | E | 43.6 | Very low | 48.1 | Very low | 147 Ų | 147 | 120.1 Ų | 120.1 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.2 | -31.5 | 170 | -73.4 | -176 | 145.7 | 0 | 0 | 111.7 | S32 S40 | S32-E36 PolarHBondContact O-N 3.14Å; E36-S40 WeakPolarHBondContact O-CA 3.32Å; E36-S40 WeakPolarHBondContact O-CB 3.43Å; E36-S40 PolarHBondContact O-N 3.34Å |
| 37 | R | 45.6 | Very low | 47.7 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75 | -24.2 | 169.3 | -73.9 | -177.4 | 174.7 | 175.5 | -3.7 | 113.5 | R33 N41 | R33-R37 VanDerWaalsContact O-CB 3.25Å; R33-R37 WeakPolarHBondContact O-CB 3.24Å; R33-R37 WeakPolarHBondContact O-CD 3.49Å; R33-R37 VanDerWaalsContact O-CG 3.25Å; R33-R37 WeakPolarHBondContact O-CG 3.32Å; R37-N41 WeakPolarHBondContact O-CA 3.45Å; R37-N41 WeakPolarHBondContact O-CB 3.48Å; R37-N41 PolarHBondContact O-N 3.28Å; R37-N41 PolarHBondContact O-ND2 3.3Å; R37-N41 VanDerWaalsContact O-ND2 3.14Å |
| 38 | T | 47.1 | Very low | 47.5 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -85.6 | -23.1 | 174.2 | 42.6 | 0 | 0 | 0 | 0 | 112.9 | S34 Q35 R42 | S34-T38 WeakPolarHBondContact O-CB 3.49Å; S34-T38 WeakPolarHBondContact O-CG2 3.32Å; S34-T38 PolarHBondContact O-N 2.91Å; S34-T38 PolarHBondContact O-OG1 2.84Å; Q35-T38 VanDerWaalsContact CA-OG1 3.28Å; Q35-T38 WeakPolarHBondContact CA-OG1 3.47Å; Q35-T38 PolarHBondContact O-N 3.43Å; Q35-T38 PolarHBondContact O-OG1 2.99Å; T38-R42 WeakPolarHBondContact O-CB 3.25Å; T38-R42 WeakPolarHBondContact O-CG 3.08Å; T38-R42 PolarHBondContact O-N 3.41Å |
| 39 | V | 46.4 | Very low | 47.4 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -88.9 | -34.9 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | Q35 R42 K43 | Q35-V39 WeakPolarHBondContact O-CB 3.45Å; Q35-V39 VanDerWaalsContact O-CG2 3.32Å; Q35-V39 WeakPolarHBondContact O-CG2 3.25Å; Q35-V39 PolarHBondContact O-N 3.19Å; V39-R42 PolarHBondContact O-N 2.83Å; V39-K43 PolarHBondContact O-N 2.7Å; V39-K43 VanDerWaalsContact O-N 3.16Å |
| 40 | S | 47.2 | Very low | 47.4 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.6 | -44.4 | 168.5 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | E36 R42 K43 E44 | E36-S40 WeakPolarHBondContact O-CA 3.32Å; E36-S40 WeakPolarHBondContact O-CB 3.43Å; E36-S40 PolarHBondContact O-N 3.34Å; S40-R42 VanDerWaalsContact C-N 3.3Å; S40-R42 PolarHBondContact O-N 2.57Å; S40-K43 PolarHBondContact O-N 2.95Å; S40-E44 WeakPolarHBondContact O-CB 3.05Å; S40-E44 PolarHBondContact O-N 3.37Å |
| 41 | N | 43.5 | Very low | 47.3 | Very low | 58 Ų | 58 | 122.5 Ų | 122.5 | 31% | 0.31 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.5 | -23 | 168.2 | -84.1 | -52.5 | 0 | 0 | 0 | 112.5 | R37 H45 | R37-N41 WeakPolarHBondContact O-CA 3.45Å; R37-N41 WeakPolarHBondContact O-CB 3.48Å; R37-N41 PolarHBondContact O-N 3.28Å; R37-N41 PolarHBondContact O-ND2 3.3Å; R37-N41 VanDerWaalsContact O-ND2 3.14Å; N41-H45 WeakPolarHBondContact O-CA 3.23Å; N41-H45 WeakPolarHBondContact O-CB 3.2Å; N41-H45 PolarHBondContact O-CD2 3.16Å; N41-H45 VanDerWaalsContact O-CG 3.28Å; N41-H45 PolarHBondContact O-N 2.92Å |
| 42 | R | 46.7 | Very low | 47.3 | Very low | 199 Ų | 199 | 123.6 Ų | 123.6 | 75% | 0.751 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.2 | -36.6 | 171.4 | -108.2 | 178.6 | 163.7 | 177.6 | -4.4 | 112.1 | T38 V39 S40 K46 | T38-R42 WeakPolarHBondContact O-CB 3.25Å; T38-R42 WeakPolarHBondContact O-CG 3.08Å; T38-R42 PolarHBondContact O-N 3.41Å; V39-R42 PolarHBondContact O-N 2.83Å; S40-R42 VanDerWaalsContact C-N 3.3Å; S40-R42 PolarHBondContact O-N 2.57Å; R42-K46 PolarHBondContact O-N 3.4Å |
| 43 | K | 47.5 | Very low | 47.7 | Very low | 167 Ų | 167 | 126 Ų | 126 | 73% | 0.726 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.6 | -32.2 | 174 | -78.1 | -174.2 | 174.4 | -179.8 | 0 | 112.3 | V39 S40 K47 | V39-K43 PolarHBondContact O-N 2.7Å; V39-K43 VanDerWaalsContact O-N 3.16Å; S40-K43 PolarHBondContact O-N 2.95Å; K43-K47 PolarHBondContact O-N 3.42Å |
| 44 | E | 46.7 | Very low | 48 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 40% | 0.402 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80.3 | -32.4 | 176.6 | -145.3 | -170.8 | 145.4 | 0 | 0 | 112.8 | S40 K47 K48 | S40-E44 WeakPolarHBondContact O-CB 3.05Å; S40-E44 PolarHBondContact O-N 3.37Å; E44-K47 PolarHBondContact O-N 2.82Å; E44-K48 WeakPolarHBondContact O-CB 3.47Å; E44-K48 WeakPolarHBondContact O-CG 3.38Å; E44-K48 PolarHBondContact O-N 3.22Å; E44-K48 WeakPolarHBondContact OE1-CE 3.01Å; E44-K48 IonicContact OE1-NZ 3.85Å; E44-K48 PolarHBondContact OE1-NZ 3.4Å |
| 45 | H | 45.9 | Very low | 48.2 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 52% | 0.523 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.9 | -28 | 170.9 | -79 | -66.1 | 0 | 0 | 0 | 112.3 | N41 K48 H49 | N41-H45 WeakPolarHBondContact O-CA 3.23Å; N41-H45 WeakPolarHBondContact O-CB 3.2Å; N41-H45 PolarHBondContact O-CD2 3.16Å; N41-H45 VanDerWaalsContact O-CG 3.28Å; N41-H45 PolarHBondContact O-N 2.92Å; H45-K48 PolarHBondContact O-N 2.81Å; H45-H49 WeakPolarHBondContact O-CB 3.18Å; H45-H49 PolarHBondContact O-N 3.24Å |
| 46 | K | 50 | Low | 48.4 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 71% | 0.709 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.5 | -44.5 | 169.3 | -103.5 | -174.7 | 171.2 | -170.9 | 0 | 111.4 | R42 H49 E50 | R42-K46 PolarHBondContact O-N 3.4Å; K46-H49 PolarHBondContact O-N 3.45Å; K46-E50 PolarHBondContact O-N 3.47Å; K46-E50 VanDerWaalsContact O-N 3.08Å |
| 47 | K | 50.4 | Low | 48.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 70% | 0.704 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.1 | -37.4 | 173.3 | -88.4 | -172.9 | 171.3 | -176.4 | 0 | 113.4 | K43 E44 H51 | K43-K47 PolarHBondContact O-N 3.42Å; E44-K47 PolarHBondContact O-N 2.82Å; K47-H51 WeakPolarHBondContact O-CB 3.47Å; K47-H51 PolarHBondContact O-N 2.98Å; K47-H51 VanDerWaalsContact O-N 3.13Å |
| 48 | K | 50.1 | Low | 49.1 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.7 | -23.5 | 175.9 | -71.9 | 175.1 | -174.4 | 161.1 | 0 | 112.9 | E44 H45 R52 | E44-K48 WeakPolarHBondContact O-CB 3.47Å; E44-K48 WeakPolarHBondContact O-CG 3.38Å; E44-K48 PolarHBondContact O-N 3.22Å; E44-K48 WeakPolarHBondContact OE1-CE 3.01Å; E44-K48 IonicContact OE1-NZ 3.85Å; E44-K48 PolarHBondContact OE1-NZ 3.4Å; H45-K48 PolarHBondContact O-N 2.81Å; K48-R52 WeakPolarHBondContact O-CB 3.5Å; K48-R52 PolarHBondContact O-N 3.18Å; K48-R52 VanDerWaalsContact O-N 3.17Å |
| 49 | H | 50.1 | Low | 49.1 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -82.1 | -30.8 | 176.3 | -149 | -69.6 | 0 | 0 | 0 | 112.4 | H45 K46 Q53 | H45-H49 WeakPolarHBondContact O-CB 3.18Å; H45-H49 PolarHBondContact O-N 3.24Å; K46-H49 PolarHBondContact O-N 3.45Å; H49-Q53 PolarHBondContact CE1-NE2 3.47Å; H49-Q53 PolarHBondContact ND1-NE2 3.26Å; H49-Q53 WeakPolarHBondContact O-CG 3.45Å; H49-Q53 PolarHBondContact O-N 2.79Å |
| 50 | E | 50.7 | Low | 49.4 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 66% | 0.659 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.3 | -42.2 | 167.9 | -81.7 | 176.2 | 151.3 | 0 | 0 | 111.3 | K46 R52 Q53 D54 | K46-E50 PolarHBondContact O-N 3.47Å; K46-E50 VanDerWaalsContact O-N 3.08Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.46Å; E50-Q53 PolarHBondContact O-N 3.22Å; E50-D54 PolarHBondContact O-N 2.74Å |
| 51 | H | 49.1 | Very low | 49.4 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 56% | 0.556 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.5 | -18.2 | 179.5 | -158.2 | 51.6 | 0 | 0 | 0 | 114.1 | K47 | K47-H51 WeakPolarHBondContact O-CB 3.47Å; K47-H51 PolarHBondContact O-N 2.98Å; K47-H51 VanDerWaalsContact O-N 3.13Å |
| 52 | R | 49.3 | Very low | 49.6 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84.7 | -24.9 | 174.1 | -140.8 | 174.4 | -171 | 167.1 | 1.8 | 112.6 | K48 E50 | K48-R52 WeakPolarHBondContact O-CB 3.5Å; K48-R52 PolarHBondContact O-N 3.18Å; K48-R52 VanDerWaalsContact O-N 3.17Å; E50-R52 VanDerWaalsContact C-N 3.27Å; E50-R52 PolarHBondContact O-N 3.46Å |
| 53 | Q | 54.4 | Low | 49.8 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 52% | 0.523 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -80.5 | -25 | 176.4 | -73.8 | -177.1 | 8.9 | 0 | 0 | 113.2 | H49 E50 R57 | H49-Q53 PolarHBondContact CE1-NE2 3.47Å; H49-Q53 PolarHBondContact ND1-NE2 3.26Å; H49-Q53 WeakPolarHBondContact O-CG 3.45Å; H49-Q53 PolarHBondContact O-N 2.79Å; E50-Q53 PolarHBondContact O-N 3.22Å; Q53-R57 PolarHBondContact O-N 3.49Å |
| 54 | D | 50.8 | Low | 49.8 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.5 | -24.8 | 171.3 | -100.4 | -16.5 | 0 | 0 | 0 | 113.5 | E50 | E50-D54 PolarHBondContact O-N 2.74Å |
| 55 | R | 50 | Low | 49.8 | Very low | 181 Ų | 181 | 137 Ų | 137 | 68% | 0.683 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76 | -30.7 | 174.5 | -93.4 | -179.6 | 170.5 | 162.3 | -1.4 | 113.4 | ||
| 56 | E | 52.4 | Low | 49.9 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -83 | -19 | 175.7 | -75.3 | -177.3 | 174 | 0 | 0 | 113.8 | ||
| 57 | R | 51.8 | Low | 49.9 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.3 | -19.3 | 170.1 | -82 | -173.3 | -178.7 | -146.1 | 0.7 | 113.6 | Q53 | Q53-R57 PolarHBondContact O-N 3.49Å |
| 58 | H | 50.6 | Low | 49.7 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 57% | 0.574 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -84.3 | -33.7 | 175.7 | -103.6 | -87.1 | 0 | 0 | 0 | 113.2 | R60 K61 | H58-R60 VanDerWaalsContact C-N 3.32Å; H58-R60 PolarHBondContact O-N 3.31Å; H58-K61 PolarHBondContact O-N 3.06Å |
| 59 | D | 47.9 | Very low | 49.6 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.5 | -21.1 | -179.1 | -114.6 | -23.7 | 0 | 0 | 0 | 114.3 | ||
| 60 | R | 51.9 | Low | 49.4 | Very low | 214 Ų | 214 | 136.9 Ų | 136.9 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -85.4 | -17 | 173.3 | -70.2 | -174.8 | -178.5 | 170.8 | 2.7 | 113.3 | H58 G64 | H58-R60 VanDerWaalsContact C-N 3.32Å; H58-R60 PolarHBondContact O-N 3.31Å; R60-G64 PolarHBondContact O-N 3.28Å |
| 61 | K | 47.3 | Very low | 49.3 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 58% | 0.578 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.1 | -27.6 | 178.7 | -142.8 | 174.9 | -174.5 | 179.1 | 0 | 111.7 | H58 K65 | H58-K61 PolarHBondContact O-N 3.06Å; K61-K65 PolarHBondContact O-N 3.17Å |
| 62 | D | 49.1 | Very low | 49.3 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -86 | -35 | 177.3 | -69.8 | -26.1 | 0 | 0 | 0 | 112.9 | G64 K65 E66 | D62-G64 VanDerWaalsContact C-N 3.3Å; D62-G64 PolarHBondContact O-N 3.22Å; D62-K65 PolarHBondContact O-N 3.27Å; D62-E66 PolarHBondContact O-N 3.41Å |
| 63 | K | 49.7 | Very low | 49.4 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74 | -14.9 | 171.7 | -75 | -168.6 | 176.9 | 179.8 | 0 | 115.1 | ||
| 64 | G | 46.7 | Very low | 49.2 | Very low | 33 Ų | 33 | 135.7 Ų | 135.7 | 34% | 0.34 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -84.6 | -35.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | R60 D62 K67 D68 | R60-G64 PolarHBondContact O-N 3.28Å; D62-G64 VanDerWaalsContact C-N 3.3Å; D62-G64 PolarHBondContact O-N 3.22Å; G64-K67 PolarHBondContact O-N 2.94Å; G64-D68 PolarHBondContact O-N 2.88Å |
| 65 | K | 48.3 | Very low | 49.3 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 60% | 0.596 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.6 | -21.5 | 179.4 | -78.6 | -176.7 | 173.6 | -174.4 | 0 | 114.2 | K61 D62 N69 | K61-K65 PolarHBondContact O-N 3.17Å; D62-K65 PolarHBondContact O-N 3.27Å; K65-N69 PolarHBondContact O-ND2 3.17Å |
| 66 | E | 48.1 | Very low | 49.4 | Very low | 150 Ų | 150 | 136 Ų | 136 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.9 | -28.9 | 172.1 | -106.8 | -179.9 | 168.3 | 0 | 0 | 113.2 | D62 | D62-E66 PolarHBondContact O-N 3.41Å |
| 67 | K | 49.1 | Very low | 49.5 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84.3 | -24.5 | 179.6 | -77.4 | -171.8 | 174.4 | -175.9 | 0 | 114.6 | G64 | G64-K67 PolarHBondContact O-N 2.94Å |
| 68 | D | 47.4 | Very low | 49.7 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -81.8 | -25.3 | 173.9 | -77.1 | -23 | 0 | 0 | 0 | 112.5 | G64 E70 D72 | G64-D68 PolarHBondContact O-N 2.88Å; D68-E70 VanDerWaalsContact C-N 3.33Å; D68-E70 PolarHBondContact O-N 3.33Å; D68-D72 PolarHBondContact O-N 2.69Å |
| 69 | N | 46.8 | Very low | 49.9 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 57% | 0.567 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.3 | -13.8 | 176.2 | -87.4 | -25.9 | 0 | 0 | 0 | 114.5 | K65 K73 | K65-N69 PolarHBondContact O-ND2 3.17Å; N69-K73 WeakPolarHBondContact O-CG 3.26Å |
| 70 | E | 46.1 | Very low | 50.3 | Low | 145 Ų | 145 | 131.1 Ų | 131.1 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -90.5 | -30.2 | 176.9 | -155.2 | 164.3 | -157.4 | 0 | 0 | 111.9 | D68 E74 | D68-E70 VanDerWaalsContact C-N 3.33Å; D68-E70 PolarHBondContact O-N 3.33Å; E70-E74 PolarHBondContact O-N 3.33Å |
| 71 | K | 48.9 | Very low | 50.6 | Low | 151 Ų | 151 | 126.5 Ų | 126.5 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.4 | -30 | 175.1 | -73.7 | -174 | 176.8 | 179.8 | 0 | 113.8 | Q75 | K71-Q75 PolarHBondContact O-N 2.75Å |
| 72 | D | 49.3 | Very low | 51.1 | Low | 108 Ų | 108 | 126.5 Ų | 126.5 | 58% | 0.578 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.9 | -23.8 | 174.6 | -103.8 | -6.2 | 0 | 0 | 0 | 113.2 | D68 K76 | D68-D72 PolarHBondContact O-N 2.69Å; D72-K76 PolarHBondContact O-N 3.48Å |
| 73 | K | 51.4 | Low | 51.6 | Low | 160 Ų | 160 | 126.2 Ų | 126.2 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80 | -29.5 | 173.1 | -73 | -178.8 | -178.7 | 178.5 | 0 | 112.5 | N69 S77 | N69-K73 WeakPolarHBondContact O-CG 3.26Å; K73-S77 PolarHBondContact O-N 3.42Å |
| 74 | E | 50.5 | Low | 52.1 | Low | 120 Ų | 120 | 126 Ų | 126 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78.4 | -29 | 177.2 | -138.9 | -176.7 | 174.5 | 0 | 0 | 113 | E70 | E70-E74 PolarHBondContact O-N 3.33Å |
| 75 | Q | 52.7 | Low | 52.7 | Low | 138 Ų | 138 | 133.1 Ų | 133.1 | 65% | 0.645 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.5 | -37.8 | 172.2 | -82.1 | -169 | -36.3 | 0 | 0 | 113.2 | K71 S77 K78 E79 | K71-Q75 PolarHBondContact O-N 2.75Å; Q75-S77 VanDerWaalsContact C-N 3.35Å; Q75-S77 PolarHBondContact O-N 2.89Å; Q75-K78 PolarHBondContact O-N 3.41Å; Q75-E79 PolarHBondContact O-N 2.88Å |
| 76 | K | 51.9 | Low | 53.1 | Low | 155 Ų | 155 | 133.9 Ų | 133.9 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.7 | -34.4 | 175.2 | -100.2 | 179.2 | 173.4 | 173.7 | 0 | 113.5 | D72 E79 E80 | D72-K76 PolarHBondContact O-N 3.48Å; K76-E79 PolarHBondContact O-N 3.01Å; K76-E80 PolarHBondContact O-N 3.36Å; K76-E80 VanDerWaalsContact O-N 3.1Å |
| 77 | S | 55 | Low | 53.5 | Low | 67 Ų | 67 | 133.8 Ų | 133.8 | 47% | 0.469 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.8 | -32.5 | 178.8 | 88.9 | 0 | 0 | 0 | 0 | 112.9 | K73 Q75 E81 | K73-S77 PolarHBondContact O-N 3.42Å; Q75-S77 VanDerWaalsContact C-N 3.35Å; Q75-S77 PolarHBondContact O-N 2.89Å; S77-E81 PolarHBondContact O-N 3.2Å; S77-E81 VanDerWaalsContact O-N 3.17Å |
| 78 | K | 54.7 | Low | 53.9 | Low | 143 Ų | 143 | 129 Ų | 129 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.7 | -32.3 | 174.9 | -73.7 | -179.5 | 180 | 170.5 | 0 | 112.8 | Q75 W82 | Q75-K78 PolarHBondContact O-N 3.41Å; K78-W82 PolarHBondContact O-N 2.9Å |
| 79 | E | 54.6 | Low | 54.2 | Low | 125 Ų | 125 | 131.6 Ų | 131.6 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.3 | -38.4 | 177.2 | -151.7 | 171.2 | -161.1 | 0 | 0 | 111.5 | Q75 K76 W82 H83 | Q75-E79 PolarHBondContact O-N 2.88Å; K76-E79 PolarHBondContact O-N 3.01Å; E79-W82 PolarHBondContact O-N 2.83Å; E79-H83 PolarHBondContact O-CD2 2.85Å; E79-H83 PolarHBondContact O-N 3.45Å |
| 80 | E | 56.3 | Low | 54.6 | Low | 135 Ų | 135 | 130.2 Ų | 130.2 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.7 | -35.3 | 178.7 | -154.7 | 174.7 | -176.9 | 0 | 0 | 113 | K76 H83 K84 | K76-E80 PolarHBondContact O-N 3.36Å; K76-E80 VanDerWaalsContact O-N 3.1Å; E80-H83 PolarHBondContact O-N 2.73Å; E80-K84 PolarHBondContact O-N 3.46Å |
| 81 | E | 58.2 | Low | 55 | Low | 116 Ų | 116 | 130 Ų | 130 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.1 | -33.4 | 175 | -157 | -174.2 | 166.7 | 0 | 0 | 112.4 | S77 K84 R85 | S77-E81 PolarHBondContact O-N 3.2Å; S77-E81 VanDerWaalsContact O-N 3.17Å; E81-K84 PolarHBondContact O-N 3.49Å; E81-R85 PolarHBondContact O-N 2.96Å; E81-R85 VanDerWaalsContact O-N 3.07Å |
| 82 | W | 59.4 | Low | 55.2 | Low | 134 Ų | 134 | 129.6 Ų | 129.6 | 51% | 0.508 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.2 | -38.3 | 175.5 | -170.5 | 77.2 | 0 | 0 | 0 | 112.3 | K78 E79 R86 | K78-W82 PolarHBondContact O-N 2.9Å; E79-W82 PolarHBondContact O-N 2.83Å; W82-R86 PolarHBondContact O-N 3.16Å; W82-R86 VanDerWaalsContact O-N 3.16Å |
| 83 | H | 58.5 | Low | 55.4 | Low | 97 Ų | 97 | 129.5 Ų | 129.5 | 45% | 0.449 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.7 | -35.4 | 176 | -79.4 | -69.6 | 0 | 0 | 0 | 113.2 | E79 E80 R86 K87 | E79-H83 PolarHBondContact O-CD2 2.85Å; E79-H83 PolarHBondContact O-N 3.45Å; E80-H83 PolarHBondContact O-N 2.73Å; H83-R86 PolarHBondContact O-N 3.27Å; H83-K87 PolarHBondContact O-N 2.96Å |
| 84 | K | 60.9 | Low | 55.4 | Low | 156 Ų | 156 | 126.9 Ų | 126.9 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.2 | -43.9 | 173.1 | -91.9 | 178.9 | 177.1 | 172.3 | 0 | 112.5 | E80 E81 R86 K87 A88 | E80-K84 PolarHBondContact O-N 3.46Å; E81-K84 PolarHBondContact O-N 3.49Å; K84-R86 VanDerWaalsContact C-N 3.31Å; K84-R86 PolarHBondContact O-N 2.95Å; K84-K87 PolarHBondContact O-N 2.87Å; K84-A88 PolarHBondContact O-N 2.85Å; K84-A88 VanDerWaalsContact O-N 3.11Å |
| 85 | R | 58.9 | Low | 55.2 | Low | 182 Ų | 182 | 124.3 Ų | 124.3 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.3 | -30.7 | 176.8 | -81.7 | -175.4 | 174.6 | -136.5 | -1.4 | 113.2 | E81 K89 | E81-R85 PolarHBondContact O-N 2.96Å; E81-R85 VanDerWaalsContact O-N 3.07Å; R85-K89 PolarHBondContact O-N 3.43Å |
| 86 | R | 56.5 | Low | 54.7 | Low | 154 Ų | 154 | 124 Ų | 124 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72 | -41 | 175.2 | -90.5 | -174.2 | 162.9 | -166.3 | -2.2 | 113.2 | W82 H83 K84 K89 S90 | W82-R86 PolarHBondContact O-N 3.16Å; W82-R86 VanDerWaalsContact O-N 3.16Å; H83-R86 PolarHBondContact O-N 3.27Å; K84-R86 VanDerWaalsContact C-N 3.31Å; K84-R86 PolarHBondContact O-N 2.95Å; R86-K89 PolarHBondContact O-N 2.96Å; R86-S90 PolarHBondContact O-N 3.49Å |
| 87 | K | 57.2 | Low | 54.4 | Low | 148 Ų | 148 | 125.1 Ų | 125.1 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69 | -40.6 | 177.8 | -72.6 | -172.3 | 175.6 | -174.5 | 0 | 112.5 | H83 K84 K89 S90 E91 | H83-K87 PolarHBondContact O-N 2.96Å; K84-K87 PolarHBondContact O-N 2.87Å; K87-K89 VanDerWaalsContact C-N 3.28Å; K87-K89 PolarHBondContact O-N 3.27Å; K87-S90 PolarHBondContact O-N 3.29Å; K87-S90 VanDerWaalsContact O-N 3.17Å; K87-S90 PolarHBondContact O-OG 2.93Å; K87-E91 WeakPolarHBondContact O-CB 3.29Å; K87-E91 PolarHBondContact O-N 3.49Å |
| 88 | A | 56.5 | Low | 53.8 | Low | 54 Ų | 54 | 127.9 Ų | 127.9 | 45% | 0.446 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.9 | -28.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K84 N92 | K84-A88 PolarHBondContact O-N 2.85Å; K84-A88 VanDerWaalsContact O-N 3.11Å; A88-N92 PolarHBondContact O-N 3.35Å |
| 89 | K | 54.6 | Low | 53.5 | Low | 170 Ų | 170 | 124.2 Ų | 124.2 | 74% | 0.739 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -79.1 | -25.9 | 173.8 | -94.9 | -176.3 | 173.3 | -175.6 | 0 | 114 | R85 R86 K87 T93 | R85-K89 PolarHBondContact O-N 3.43Å; R86-K89 PolarHBondContact O-N 2.96Å; K87-K89 VanDerWaalsContact C-N 3.28Å; K87-K89 PolarHBondContact O-N 3.27Å; K89-T93 PolarHBondContact O-OG1 3.35Å |
| 90 | S | 54.1 | Low | 53.1 | Low | 76 Ų | 76 | 129.6 Ų | 129.6 | 53% | 0.531 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -82.9 | -24.8 | 174.8 | 63 | 0 | 0 | 0 | 0 | 113.1 | R86 K87 T93 | R86-S90 PolarHBondContact O-N 3.49Å; K87-S90 PolarHBondContact O-N 3.29Å; K87-S90 VanDerWaalsContact O-N 3.17Å; K87-S90 PolarHBondContact O-OG 2.93Å; S90-T93 PolarHBondContact O-OG1 2.96Å; S90-T93 VanDerWaalsContact O-OG1 3.07Å |
| 91 | E | 54.4 | Low | 52.8 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -85.4 | -21.7 | -178.8 | -153.2 | 162.6 | -179.8 | 0 | 0 | 112.8 | K87 T93 S94 | K87-E91 WeakPolarHBondContact O-CB 3.29Å; K87-E91 PolarHBondContact O-N 3.49Å; E91-T93 VanDerWaalsContact C-N 3.32Å; E91-S94 PolarHBondContact O-OG 3Å |
| 92 | N | 54.5 | Low | 52.2 | Low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 6.6 | 172.6 | -74.6 | -12.1 | 0 | 0 | 0 | 114.2 | A88 | A88-N92 PolarHBondContact O-N 3.35Š|
| 93 | T | 53.6 | Low | 51.8 | Low | 106 Ų | 106 | 128.9 Ų | 128.9 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 7.5 | 177.5 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | K89 S90 E91 | K89-T93 PolarHBondContact O-OG1 3.35Å; S90-T93 PolarHBondContact O-OG1 2.96Å; S90-T93 VanDerWaalsContact O-OG1 3.07Å; E91-T93 VanDerWaalsContact C-N 3.32Å |
| 94 | S | 50.4 | Low | 51.5 | Low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -93.9 | 12.8 | 179 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | E91 | E91-S94 PolarHBondContact O-OG 3Š|
| 95 | G | 47 | Very low | 51.5 | Low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | -130.7 | 21.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 96 | T | 42.3 | Very low | 51.5 | Low | 132 Ų | 132 | 132.2 Ų | 132.2 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -110.6 | 93.9 | 174.7 | -39.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 97 | E | 44.4 | Very low | 51.8 | Low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -50.3 | 157.9 | 165.5 | -61.7 | 179.8 | 114.9 | 0 | 0 | 111.8 | ||||
| 98 | S | 43.5 | Very low | 51.6 | Low | 126 Ų | 126 | 139.4 Ų | 139.4 | 88% | 0.881 | 77% | 0.77 | S | S | * | * | trans | 77.4 | 105.5 | 147.1 | -176.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 99 | G | 47.7 | Very low | 51.6 | Low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 129.1 | 116.4 | 134.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 100 | R | 46 | Very low | 51.7 | Low | 238 Ų | 238 | 144.7 Ų | 144.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | 80 | 98.1 | 150.4 | -65.2 | 174.6 | 168.2 | 148.8 | -2.5 | 116.6 | ||||
| 101 | E | 50.1 | Low | 51.3 | Low | 177 Ų | 177 | 150.9 Ų | 150.9 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | 60.7 | 116.1 | 88.6 | -97.5 | -169.7 | 128.2 | 0 | 0 | 115.1 | |||||
| 102 | S | 46.5 | Very low | 51.4 | Low | 117 Ų | 117 | 151.2 Ų | 151.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 67.1 | 105 | 141.5 | -63.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 103 | G | 50.2 | Low | 51.4 | Low | 75 Ų | 75 | 150.1 Ų | 150.1 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 166.1 | 85.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 104 | K | 52.5 | Low | 51.5 | Low | 208 Ų | 208 | 154.3 Ų | 154.3 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | 43.3 | 102.8 | 145.4 | -67.5 | 177.4 | 178.3 | -179.5 | 0 | 118.6 | ||||
| 105 | L | 60.7 | Low | 51.9 | Low | 174 Ų | 174 | 153.8 Ų | 153.8 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 127.6 | 158.7 | -75.4 | 152.7 | 0 | 0 | 0 | 111.6 | ||
| 106 | P | 59.6 | Low | 52.3 | Low | 123 Ų | 123 | 159.2 Ų | 159.2 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 130.8 | 164.2 | 26.4 | -22.7 | 0 | 0 | 0 | 110.7 | ||
| 107 | K | 63.3 | Low | 52.8 | Low | 201 Ų | 201 | 162.3 Ų | 162.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 133.6 | 176.1 | -83.3 | 171.2 | 171.3 | 172.1 | 0 | 111.7 | T109 | K107-T109 PolarHBondContact O-N 3.35Å; K107-T109 VanDerWaalsContact O-N 3.1Å |
| 108 | R | 51.5 | Low | 53 | Low | 253 Ų | 253 | 158 Ų | 158 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | trans | -49.5 | 111.3 | 165.9 | -74 | 173.5 | 120.9 | 114.2 | -3.9 | 110.2 | ||||
| 109 | T | 57.2 | Low | 53.8 | Low | 136 Ų | 136 | 157.1 Ų | 157.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -82.7 | 133.8 | 162.8 | 42.7 | 0 | 0 | 0 | 0 | 108.7 | K107 R111 | K107-T109 PolarHBondContact O-N 3.35Å; K107-T109 VanDerWaalsContact O-N 3.1Å; T109-R111 PolarHBondContact O-N 3.39Å | ||
| 110 | K | 55.7 | Low | 54.2 | Low | 199 Ų | 199 | 159.9 Ų | 159.9 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -58.2 | 132.2 | 178.8 | -77.6 | 178.5 | 174.2 | 177.9 | 0 | 109.5 | E112 | K110-E112 PolarHBondContact O-N 2.92Š| ||
| 111 | R | 47.1 | Very low | 54.6 | Low | 206 Ų | 206 | 152.3 Ų | 152.3 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 109.4 | 170.7 | -175.9 | -179.6 | -171.9 | 169.6 | 4.5 | 108.6 | T109 D113 | T109-R111 PolarHBondContact O-N 3.39Å; R111-D113 WeakPolarHBondContact CD-OD2 3.4Å; R111-D113 WeakPolarHBondContact CG-OD1 3.36Å; R111-D113 IonicContact CZ-OD1 3Å; R111-D113 IonicContact CZ-OD2 2.96Å; R111-D113 IonicContact NE-OD1 3.94Å; R111-D113 PolarHBondContact NE-OD1 2.96Å; R111-D113 IonicContact NE-OD2 2.69Å; R111-D113 PolarHBondContact NE-OD2 3.26Å; R111-D113 IonicContact NH2-OD1 3.59Å; R111-D113 IonicContact NH2-OD2 2.78Å | ||
| 112 | E | 55.8 | Low | 54.7 | Low | 149 Ų | 149 | 148.5 Ų | 148.5 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | -95.4 | 90.7 | 166.6 | -68.6 | -173.8 | 170.9 | 0 | 0 | 107.9 | K110 Y114 | K110-E112 PolarHBondContact O-N 2.92Å; E112-Y114 VanDerWaalsContact C-N 3.28Å; E112-Y114 HydrophobicContact CB-CD2 3.89Å; E112-Y114 HydrophobicContact CB-CE2 3.9Å; E112-Y114 HydrophobicContact CG-CE2 4.37Å; E112-Y114 PolarHBondContact O-N 3.38Å | ||
| 113 | D | 54.1 | Low | 54.9 | Low | 118 Ų | 118 | 150.7 Ų | 150.7 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 81.2 | 170.7 | -70.9 | -36.5 | 0 | 0 | 0 | 108.6 | R111 A115 | R111-D113 WeakPolarHBondContact CD-OD2 3.4Å; R111-D113 WeakPolarHBondContact CG-OD1 3.36Å; R111-D113 IonicContact CZ-OD1 3Å; R111-D113 IonicContact CZ-OD2 2.96Å; R111-D113 IonicContact NE-OD1 3.94Å; R111-D113 PolarHBondContact NE-OD1 2.96Å; R111-D113 IonicContact NE-OD2 2.69Å; R111-D113 PolarHBondContact NE-OD2 3.26Å; R111-D113 IonicContact NH2-OD1 3.59Å; R111-D113 IonicContact NH2-OD2 2.78Å; D113-A115 PolarHBondContact O-N 3.46Å; D113-A115 VanDerWaalsContact O-N 3.14Å | ||
| 114 | Y | 56.4 | Low | 55.1 | Low | 194 Ų | 194 | 154.5 Ų | 154.5 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -79.5 | 87.6 | 167 | -80.9 | -82.1 | 0 | 0 | 0 | 109.7 | E112 M116 | E112-Y114 VanDerWaalsContact C-N 3.28Å; E112-Y114 HydrophobicContact CB-CD2 3.89Å; E112-Y114 HydrophobicContact CB-CE2 3.9Å; E112-Y114 HydrophobicContact CG-CE2 4.37Å; E112-Y114 PolarHBondContact O-N 3.38Å; Y114-M116 VanDerWaalsContact C-N 3.28Å; Y114-M116 PolarHBondContact O-N 3.28Å | ||
| 115 | A | 58.1 | Low | 55.1 | Low | 93 Ų | 93 | 149 Ų | 149 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -71.5 | 85.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | D113 K117 | D113-A115 PolarHBondContact O-N 3.46Å; D113-A115 VanDerWaalsContact O-N 3.14Å; A115-K117 PolarHBondContact O-N 2.9Å | ||
| 116 | M | 55.4 | Low | 54.8 | Low | 182 Ų | 182 | 148.4 Ų | 148.4 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -63.4 | 101.4 | 172.3 | -164.8 | 164.4 | 163.3 | 0 | 0 | 108.7 | Y114 S118 | Y114-M116 VanDerWaalsContact C-N 3.28Å; Y114-M116 PolarHBondContact O-N 3.28Å; M116-S118 PolarHBondContact O-N 2.93Å | ||
| 117 | K | 53.4 | Low | 54.4 | Low | 197 Ų | 197 | 147.7 Ų | 147.7 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | trans | -61.3 | 101.1 | 174.2 | -73.5 | 176 | 176.3 | 175.3 | 0 | 108.4 | A115 S119 | A115-K117 PolarHBondContact O-N 2.9Å; K117-S119 PolarHBondContact O-N 3.13Å | ||
| 118 | S | 48.9 | Very low | 53.9 | Low | 87 Ų | 87 | 143.4 Ų | 143.4 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -67.5 | 113.4 | 173.9 | 67.8 | 0 | 0 | 0 | 0 | 109.4 | M116 D120 | M116-S118 PolarHBondContact O-N 2.93Å; S118-D120 PolarHBondContact O-N 3.25Å | ||
| 119 | S | 59.5 | Low | 53.8 | Low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 7.4 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 115 | K117 | K117-S119 PolarHBondContact O-N 3.13Š|
| 120 | D | 56.8 | Low | 53.6 | Low | 124 Ų | 124 | 134.4 Ų | 134.4 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12.9 | -171.9 | -90.6 | -32.4 | 0 | 0 | 0 | 115.5 | S118 | S118-D120 PolarHBondContact O-N 3.25Š|
| 121 | S | 53.6 | Low | 53.5 | Low | 79 Ų | 79 | 131 Ų | 131 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.7 | -19.7 | -179 | 53.2 | 0 | 0 | 0 | 0 | 114 | ||
| 122 | V | 51.8 | Low | 53.6 | Low | 98 Ų | 98 | 126.9 Ų | 126.9 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -79.3 | -24.4 | -177.4 | -176 | 0 | 0 | 0 | 0 | 112.2 | ||
| 123 | K | 52.4 | Low | 53.5 | Low | 162 Ų | 162 | 124.6 Ų | 124.6 | 70% | 0.704 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.7 | -33.1 | 178.3 | -76.5 | -177 | 178.8 | 176 | 0 | 113.1 | V125 | K123-V125 PolarHBondContact O-N 3.19Å |
| 124 | K | 53.6 | Low | 53.4 | Low | 156 Ų | 156 | 126.6 Ų | 126.6 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.3 | -28.3 | -179.3 | -72.6 | -174.1 | 177.9 | -178.3 | 0 | 113.7 | I128 | K124-I128 WeakPolarHBondContact O-CD1 3.45Å; K124-I128 WeakPolarHBondContact O-CG1 3.46Å |
| 125 | V | 53.4 | Low | 53.2 | Low | 93 Ų | 93 | 123.3 Ų | 123.3 | 56% | 0.564 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.8 | -34.2 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | K123 Q129 | K123-V125 PolarHBondContact O-N 3.19Å; V125-Q129 PolarHBondContact O-N 3.48Å |
| 126 | K | 54.3 | Low | 52.8 | Low | 161 Ų | 161 | 123.4 Ų | 123.4 | 70% | 0.7 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.8 | -31.1 | 177.3 | -74.2 | -172.6 | 175.4 | -174.6 | 0 | 113.1 | A130 | K126-A130 PolarHBondContact O-N 3.24Å |
| 127 | E | 51.1 | Low | 52.5 | Low | 108 Ų | 108 | 117.2 Ų | 117.2 | 51% | 0.505 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -73.8 | -29.7 | -179.5 | -156.3 | -175.6 | 155 | 0 | 0 | 112.7 | K131 | E127-K131 WeakPolarHBondContact O-CG 3.37Å; E127-K131 PolarHBondContact O-N 3.44Å; E127-K131 IonicContact OE1-NZ 3.88Å; E127-K131 PolarHBondContact OE1-NZ 3.33Å |
| 128 | I | 51.3 | Low | 52.6 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 56% | 0.564 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74.8 | -39.3 | 177.4 | -61.5 | 166.1 | 0 | 0 | 0 | 110.7 | K124 A130 K131 D132 | K124-I128 WeakPolarHBondContact O-CD1 3.45Å; K124-I128 WeakPolarHBondContact O-CG1 3.46Å; I128-A130 PolarHBondContact O-N 3.38Å; I128-K131 PolarHBondContact O-N 2.97Å; I128-D132 PolarHBondContact O-N 3.01Å |
| 129 | Q | 50.9 | Low | 52.7 | Low | 145 Ų | 145 | 120 Ų | 120 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.7 | -32.8 | 176.3 | -88.4 | -170.9 | 9.6 | 0 | 0 | 114 | V125 T133 | V125-Q129 PolarHBondContact O-N 3.48Å; Q129-T133 PolarHBondContact O-OG1 2.97Å |
| 130 | A | 53 | Low | 52.2 | Low | 56 Ų | 56 | 119.6 Ų | 119.6 | 46% | 0.463 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -76 | -26.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | K126 I128 T133 | K126-A130 PolarHBondContact O-N 3.24Å; I128-A130 PolarHBondContact O-N 3.38Å; A130-T133 PolarHBondContact O-OG1 3.39Å |
| 131 | K | 52.5 | Low | 51.9 | Low | 128 Ų | 128 | 122.7 Ų | 122.7 | 56% | 0.557 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.8 | -33 | -180 | -74.2 | 173.9 | 175 | 171.7 | 0 | 112.6 | E127 I128 | E127-K131 WeakPolarHBondContact O-CG 3.37Å; E127-K131 PolarHBondContact O-N 3.44Å; E127-K131 IonicContact OE1-NZ 3.88Å; E127-K131 PolarHBondContact OE1-NZ 3.33Å; I128-K131 PolarHBondContact O-N 2.97Å |
| 132 | D | 50.1 | Low | 51.9 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 63% | 0.631 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77.3 | -23.8 | 177.2 | -84.7 | -12.4 | 0 | 0 | 0 | 113.8 | I128 | I128-D132 PolarHBondContact O-N 3.01Å |
| 133 | T | 52.8 | Low | 51.8 | Low | 102 Ų | 102 | 131.1 Ų | 131.1 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -78.1 | -20.6 | 179.4 | 35 | 0 | 0 | 0 | 0 | 113.8 | Q129 A130 | Q129-T133 PolarHBondContact O-OG1 2.97Å; A130-T133 PolarHBondContact O-OG1 3.39Å |
| 134 | H | 52 | Low | 51.5 | Low | 160 Ų | 160 | 128.5 Ų | 128.5 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -84 | -19 | 178.9 | -98.9 | -78.6 | 0 | 0 | 0 | 114.3 | ||
| 135 | V | 52.6 | Low | 51.4 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -13.8 | -177.8 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 136 | C | 48.8 | Very low | 51 | Low | 95 Ų | 95 | 131.7 Ų | 131.7 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 9.3 | -179.4 | -150.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 137 | G | 50.4 | Low | 51 | Low | 53 Ų | 53 | 130.3 Ų | 130.3 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -85.5 | -35 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 138 | D | 54.5 | Low | 50.8 | Low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -99.9 | 0.3 | -162.3 | -67 | -23.7 | 0 | 0 | 0 | 115 | ||
| 139 | Q | 51.6 | Low | 50.4 | Low | 187 Ų | 187 | 132.4 Ų | 132.4 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -118.2 | 0 | -176.5 | -127.6 | -177.5 | 80.7 | 0 | 0 | 115.2 | Q141 | Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 2.93Å |
| 140 | C | 48.9 | Very low | 50.5 | Low | 96 Ų | 96 | 137.2 Ų | 137.2 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | -92.7 | 57.7 | 175.3 | -78.6 | 0 | 0 | 0 | 0 | 111.7 | L142 | C140-L142 PolarHBondContact O-N 3.29Š| ||
| 141 | Q | 50.4 | Low | 50.2 | Low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -76.1 | 77.5 | 158.6 | -72.8 | -164.3 | 31.4 | 0 | 0 | 108.6 | Q139 K143 | Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 2.93Å; Q141-K143 PolarHBondContact O-N 3.41Å; Q141-K143 VanDerWaalsContact O-N 3.16Å | ||
| 142 | L | 52.7 | Low | 50.4 | Low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -65.4 | 110.2 | 166.4 | -135.5 | 88.2 | 0 | 0 | 0 | 106.9 | C140 S144 | C140-L142 PolarHBondContact O-N 3.29Å; L142-S144 PolarHBondContact O-N 3.36Å | ||
| 143 | K | 49.5 | Very low | 50.4 | Low | 196 Ų | 196 | 145.5 Ų | 145.5 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | -52.9 | 104.9 | 167 | -92.8 | 172.9 | 170.9 | 172.9 | 0 | 108.6 | Q141 H145 | Q141-K143 PolarHBondContact O-N 3.41Å; Q141-K143 VanDerWaalsContact O-N 3.16Å; K143-H145 PolarHBondContact O-N 3.2Å; K143-H145 VanDerWaalsContact O-N 3.13Å | ||
| 144 | S | 47.6 | Very low | 50.9 | Low | 107 Ų | 107 | 147.2 Ų | 147.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 106.6 | 164.9 | 49.5 | 0 | 0 | 0 | 0 | 107.8 | L142 | L142-S144 PolarHBondContact O-N 3.36Š| ||
| 145 | H | 50 | Low | 50.7 | Low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -94.8 | 108.7 | 163.4 | -124.7 | -77.6 | 0 | 0 | 0 | 106.1 | K143 T147 | K143-H145 PolarHBondContact O-N 3.2Å; K143-H145 VanDerWaalsContact O-N 3.13Å; H145-T147 PolarHBondContact O-N 3.41Å | ||
| 146 | D | 46.4 | Very low | 51 | Low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -52.1 | 120.8 | 171.2 | -68.1 | -52 | 0 | 0 | 0 | 109.9 | ||||
| 147 | T | 53.4 | Low | 51.5 | Low | 133 Ų | 133 | 146.6 Ų | 146.6 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -118.4 | 86.3 | 162.2 | 54.2 | 0 | 0 | 0 | 0 | 107.3 | H145 | H145-T147 PolarHBondContact O-N 3.41Š| ||
| 148 | E | 46.4 | Very low | 51.9 | Low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -55 | 133.4 | 155.9 | -74.4 | -165.7 | 133.1 | 0 | 0 | 109.2 | ||||
| 149 | G | 44.9 | Very low | 51.8 | Low | 69 Ų | 69 | 153.1 Ų | 153.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 83 | 88.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 150 | R | 51 | Low | 51.8 | Low | 246 Ų | 246 | 151.3 Ų | 151.3 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | 168.9 | 116.4 | 119.8 | -92.4 | 175.4 | -161.9 | -148.6 | 3.5 | 109.1 | A152 | R150-A152 PolarHBondContact O-N 3.37Š| |||
| 151 | E | 48.7 | Very low | 52 | Low | 199 Ų | 199 | 154.4 Ų | 154.4 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -55.3 | 126.6 | 168.9 | -64.2 | 174.7 | 146 | 0 | 0 | 109.7 | ||||
| 152 | A | 55.3 | Low | 52.1 | Low | 85 Ų | 85 | 152.4 Ų | 152.4 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | trans | -95.8 | 94.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107 | R150 I154 | R150-A152 PolarHBondContact O-N 3.37Å; A152-I154 HydrophobicContact CB-CG1 4.48Å; A152-I154 PolarHBondContact O-N 3.1Å | ||
| 153 | E | 50.1 | Low | 52 | Low | 192 Ų | 192 | 151.9 Ų | 151.9 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -65.4 | 107.3 | 161.1 | -170.4 | 174.9 | -167.3 | 0 | 0 | 107.1 | ||||
| 154 | I | 63.1 | Low | 52.2 | Low | 138 Ų | 138 | 149 Ų | 149 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | trans | -100.3 | 100.7 | 172.3 | -56.9 | 172.1 | 0 | 0 | 0 | 105.9 | A152 V156 | A152-I154 HydrophobicContact CB-CG1 4.48Å; A152-I154 PolarHBondContact O-N 3.1Å; I154-V156 HydrophobicContact CG2-CG2 3.83Å; I154-V156 PolarHBondContact O-N 3.38Å | ||
| 155 | D | 49 | Very low | 52.5 | Low | 134 Ų | 134 | 152 Ų | 152 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | trans | -70 | 115.1 | 169.5 | -164.7 | -1.5 | 0 | 0 | 0 | 108.6 | ||||
| 156 | V | 57.3 | Low | 52.7 | Low | 120 Ų | 120 | 150.6 Ų | 150.6 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -119.8 | 91.3 | 171.9 | -174.2 | 0 | 0 | 0 | 0 | 106.3 | I154 | I154-V156 HydrophobicContact CG2-CG2 3.83Å; I154-V156 PolarHBondContact O-N 3.38Å | ||
| 157 | T | 61.2 | Low | 53.2 | Low | 112 Ų | 112 | 151.1 Ų | 151.1 | 69% | 0.687 | 83% | 0.831 | S | S | * | * | trans | -79.8 | 141.8 | 165.2 | -4.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 158 | P | 58.5 | Low | 53.2 | Low | 192 Ų | 192 | 152.7 Ų | 152.7 | 100% | 1.247 | 83% | 0.832 | S | S | * | * | trans | -70.9 | 0 | -159.3 | 29.3 | -34.8 | 0 | 0 | 0 | 115.6 |
Retrieved 158 of 158 residues in 354.6 ms
(Link to these results)