| 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 | 53.7 | Low | 86.6 | Confident | 242 Ų | 242 | 128.8 Ų | 128.8 | 100% | 1.192 | 68% | 0.678 | S | S | * | * | 0 | 136.3 | 0 | -60.3 | 169.6 | 84.6 | 0 | 0 | 108.3 | |||||
| 2 | S | 74.4 | Confident | 87.4 | Confident | 121 Ų | 121 | 129 Ų | 129 | 85% | 0.846 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 131.3 | 178.5 | 40.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 3 | R | 83.4 | Confident | 88.1 | Confident | 244 Ų | 244 | 123.5 Ų | 123.5 | 92% | 0.921 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 129.1 | 176.3 | -53.3 | -173.5 | -157.3 | -143.5 | 6.1 | 108.8 | ||
| 4 | I | 84 | Confident | 88.7 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 59% | 0.585 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 126.1 | 175.8 | -56.8 | 175.2 | 0 | 0 | 0 | 107.8 | K8 V9 | I4-K8 HydrophobicContact CG2-CB 4.14Å; I4-V9 HydrophobicContact CB-CG2 4.28Å; I4-V9 HydrophobicContact CG2-CG2 3.8Å |
| 5 | P | 91.7 | Very high | 89.3 | Confident | 73 Ų | 73 | 117.2 Ų | 117.2 | 47% | 0.474 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 138.2 | -178.9 | 26.5 | -34.5 | 0 | 0 | 0 | 111 | G7 K8 | P5-G7 VanDerWaalsContact C-N 3.27Å; P5-G7 PolarHBondContact O-N 2.92Å; P5-G7 VanDerWaalsContact O-N 3.14Å; P5-K8 HydrophobicContact CG-CB 4.38Å; P5-K8 HydrophobicContact CG-CD 3.77Å; P5-K8 HydrophobicContact CG-CG 3.97Å; P5-K8 PolarHBondContact O-N 3.14Å |
| 6 | L | 90.9 | Very high | 89.8 | Confident | 150 Ų | 150 | 119.8 Ų | 119.8 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -53.3 | -40.2 | -169.1 | -65.1 | 172.6 | 0 | 0 | 0 | 113.4 | K8 V9 L10 | L6-K8 VanDerWaalsContact C-N 3.28Å; L6-K8 PolarHBondContact O-N 2.92Å; L6-V9 WeakPolarHBondContact O-CA 3.31Å; L6-V9 WeakPolarHBondContact O-CB 3.25Å; L6-V9 PolarHBondContact O-N 2.98Å; L6-L10 PolarHBondContact O-N 3.21Å |
| 7 | G | 93.1 | Very high | 90.3 | Very high | 53 Ų | 53 | 120.7 Ų | 120.7 | 55% | 0.546 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -57.8 | -34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P5 L11 | P5-G7 VanDerWaalsContact C-N 3.27Å; P5-G7 PolarHBondContact O-N 2.92Å; P5-G7 VanDerWaalsContact O-N 3.14Å; G7-L11 VanDerWaalsContact O-CB 3.25Å; G7-L11 WeakPolarHBondContact O-CB 3.45Å; G7-L11 PolarHBondContact O-N 3.22Å |
| 8 | K | 94.7 | Very high | 90.7 | Very high | 147 Ų | 147 | 117.6 Ų | 117.6 | 64% | 0.639 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.5 | -30.1 | 175.1 | -66.7 | -174.8 | -174.6 | -178.3 | 0 | 112.2 | I4 P5 L6 R12 | I4-K8 HydrophobicContact CG2-CB 4.14Å; P5-K8 HydrophobicContact CG-CB 4.38Å; P5-K8 HydrophobicContact CG-CD 3.77Å; P5-K8 HydrophobicContact CG-CG 3.97Å; P5-K8 PolarHBondContact O-N 3.14Å; L6-K8 VanDerWaalsContact C-N 3.28Å; L6-K8 PolarHBondContact O-N 2.92Å; K8-R12 VanDerWaalsContact O-CB 3.31Å; K8-R12 WeakPolarHBondContact O-CB 3.48Å; K8-R12 PolarHBondContact O-N 2.56Å |
| 9 | V | 94.2 | Very high | 91 | Very high | 47 Ų | 47 | 116.2 Ų | 116.2 | 29% | 0.285 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.8 | -45.9 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | I4 L6 R12 N13 | I4-V9 HydrophobicContact CB-CG2 4.28Å; I4-V9 HydrophobicContact CG2-CG2 3.8Å; L6-V9 WeakPolarHBondContact O-CA 3.31Å; L6-V9 WeakPolarHBondContact O-CB 3.25Å; L6-V9 PolarHBondContact O-N 2.98Å; V9-R12 PolarHBondContact O-N 3.38Å; V9-N13 PolarHBondContact O-N 3.33Å; V9-N13 PolarHBondContact O-OD1 2.99Å |
| 10 | L | 96 | Very high | 91.4 | Very high | 119 Ų | 119 | 112.8 Ų | 112.8 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.4 | -50.6 | 177.1 | -178 | 60 | 0 | 0 | 0 | 111.2 | L6 R12 N13 V14 | L6-L10 PolarHBondContact O-N 3.21Å; L10-R12 VanDerWaalsContact C-N 3.35Å; L10-R12 PolarHBondContact O-N 2.88Å; L10-N13 WeakPolarHBondContact O-CB 3.43Å; L10-N13 PolarHBondContact O-N 3.36Å; L10-V14 HydrophobicContact CD1-CG2 4.41Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 3.38Å |
| 11 | L | 96.5 | Very high | 91.7 | Very high | 107 Ų | 107 | 112.9 Ų | 112.9 | 56% | 0.56 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -56.8 | -45.8 | 177.1 | -178.8 | 58.4 | 0 | 0 | 0 | 112.3 | G7 N13 V14 I15 | G7-L11 VanDerWaalsContact O-CB 3.25Å; G7-L11 WeakPolarHBondContact O-CB 3.45Å; G7-L11 PolarHBondContact O-N 3.22Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.06Å; L11-V14 PolarHBondContact O-N 3.27Å; L11-I15 HydrophobicContact CD1-CD1 3.98Å; L11-I15 HydrophobicContact CD1-CG1 4.28Å; L11-I15 HydrophobicContact CG-CD1 3.92Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 2.92Å |
| 12 | R | 96.2 | Very high | 93.8 | Very high | 131 Ų | 131 | 105 Ų | 105 | 49% | 0.494 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -32.5 | 177.3 | -168.6 | -164 | 68.8 | 178.2 | -1.2 | 112.3 | K8 V9 L10 R16 | K8-R12 VanDerWaalsContact O-CB 3.31Å; K8-R12 WeakPolarHBondContact O-CB 3.48Å; K8-R12 PolarHBondContact O-N 2.56Å; V9-R12 PolarHBondContact O-N 3.38Å; L10-R12 VanDerWaalsContact C-N 3.35Å; L10-R12 PolarHBondContact O-N 2.88Å; R12-R16 WeakPolarHBondContact O-CB 3.5Å; R12-R16 VanDerWaalsContact O-CG 3.27Å; R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.26Å; R12-R16 VanDerWaalsContact O-N 3.16Å |
| 13 | N | 96.4 | Very high | 94.9 | Very high | 58 Ų | 58 | 104.8 Ų | 104.8 | 31% | 0.31 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -45.1 | 175.6 | -67.6 | -4.7 | 0 | 0 | 0 | 110.7 | V9 L10 L11 I15 R16 H17 | V9-N13 PolarHBondContact O-N 3.33Å; V9-N13 PolarHBondContact O-OD1 2.99Å; L10-N13 WeakPolarHBondContact O-CB 3.43Å; L10-N13 PolarHBondContact O-N 3.36Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.06Å; N13-I15 PolarHBondContact O-N 3.16Å; N13-R16 PolarHBondContact O-N 2.85Å; N13-R16 VanDerWaalsContact O-N 3.17Å; N13-H17 PolarHBondContact O-CD2 2.92Å; N13-H17 PolarHBondContact O-N 3.34Å |
| 14 | V | 97.2 | Very high | 95.5 | Very high | 75 Ų | 75 | 98.9 Ų | 98.9 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -54.3 | -53 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L10 L11 R16 H17 T18 | L10-V14 HydrophobicContact CD1-CG2 4.41Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 3.38Å; L11-V14 PolarHBondContact O-N 3.27Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.94Å; V14-H17 PolarHBondContact O-N 3.17Å; V14-T18 PolarHBondContact O-N 3.32Å; V14-T18 PolarHBondContact O-OG1 3.26Å |
| 15 | I | 97.4 | Very high | 96.1 | Very high | 77 Ų | 77 | 98.2 Ų | 98.2 | 40% | 0.395 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.6 | -46.6 | 177.2 | -67 | 165.7 | 0 | 0 | 0 | 110.8 | L11 N13 H17 T18 D19 | L11-I15 HydrophobicContact CD1-CD1 3.98Å; L11-I15 HydrophobicContact CD1-CG1 4.28Å; L11-I15 HydrophobicContact CG-CD1 3.92Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 2.92Å; N13-I15 PolarHBondContact O-N 3.16Å; I15-H17 VanDerWaalsContact C-N 3.3Å; I15-H17 PolarHBondContact O-N 2.98Å; I15-T18 WeakPolarHBondContact CA-OG1 3.17Å; I15-T18 PolarHBondContact O-N 3.05Å; I15-T18 PolarHBondContact O-OG1 3.3Å; I15-D19 WeakPolarHBondContact CG2-OD2 3.24Å; I15-D19 VanDerWaalsContact O-CB 3.32Å; I15-D19 WeakPolarHBondContact O-CB 3.32Å; I15-D19 PolarHBondContact O-N 3.3Å |
| 16 | R | 97.6 | Very high | 96.4 | Very high | 158 Ų | 158 | 100.3 Ų | 100.3 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -33.2 | 177.4 | -81.6 | 175.8 | 154.5 | -158.4 | -9.1 | 114.1 | R12 N13 V14 A20 | R12-R16 WeakPolarHBondContact O-CB 3.5Å; R12-R16 VanDerWaalsContact O-CG 3.27Å; R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.26Å; R12-R16 VanDerWaalsContact O-N 3.16Å; N13-R16 PolarHBondContact O-N 2.85Å; N13-R16 VanDerWaalsContact O-N 3.17Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.94Å; R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.49Å; R16-A20 PolarHBondContact O-N 3.13Å; R16-A20 VanDerWaalsContact O-N 3.13Å |
| 17 | H | 97.8 | Very high | 96.7 | Very high | 136 Ų | 136 | 97.1 Ų | 97.1 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -77.2 | -38.2 | 177.2 | -70.5 | -61.4 | 0 | 0 | 0 | 111.8 | N13 V14 I15 H21 | N13-H17 PolarHBondContact O-CD2 2.92Å; N13-H17 PolarHBondContact O-N 3.34Å; V14-H17 PolarHBondContact O-N 3.17Å; I15-H17 VanDerWaalsContact C-N 3.3Å; I15-H17 PolarHBondContact O-N 2.98Å; H17-H21 WeakPolarHBondContact O-CB 3.35Å; H17-H21 PolarHBondContact O-N 3.44Å |
| 18 | T | 97.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 97.7 Ų | 97.7 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 172.5 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | V14 I15 A20 H21 N22 | V14-T18 PolarHBondContact O-N 3.32Å; V14-T18 PolarHBondContact O-OG1 3.26Å; I15-T18 WeakPolarHBondContact CA-OG1 3.17Å; I15-T18 PolarHBondContact O-N 3.05Å; I15-T18 PolarHBondContact O-OG1 3.3Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 2.83Å; T18-H21 PolarHBondContact O-N 3.17Å; T18-N22 WeakPolarHBondContact O-CB 3.39Å; T18-N22 PolarHBondContact O-N 3.46Å; T18-N22 PolarHBondContact O-OD1 2.89Å |
| 19 | D | 97.7 | Very high | 97 | Very high | 91 Ų | 91 | 93.4 Ų | 93.4 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 177.3 | -65.9 | -6.6 | 0 | 0 | 0 | 111.3 | I15 K23 | I15-D19 WeakPolarHBondContact CG2-OD2 3.24Å; I15-D19 VanDerWaalsContact O-CB 3.32Å; I15-D19 WeakPolarHBondContact O-CB 3.32Å; I15-D19 PolarHBondContact O-N 3.3Å; D19-K23 WeakPolarHBondContact O-CB 3.4Å; D19-K23 PolarHBondContact O-N 2.9Å |
| 20 | A | 97.6 | Very high | 97.1 | Very high | 48 Ų | 48 | 96.7 Ų | 96.7 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R16 T18 I24 | R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.49Å; R16-A20 PolarHBondContact O-N 3.13Å; R16-A20 VanDerWaalsContact O-N 3.13Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 2.83Å; A20-I24 WeakPolarHBondContact O-CD1 3.3Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 2.85Å; A20-I24 VanDerWaalsContact O-N 3.14Å |
| 21 | H | 97.9 | Very high | 97.2 | Very high | 116 Ų | 116 | 99.7 Ų | 99.7 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -52.6 | 175.9 | -179 | -82.1 | 0 | 0 | 0 | 111.4 | H17 T18 K23 I24 Q25 | H17-H21 WeakPolarHBondContact O-CB 3.35Å; H17-H21 PolarHBondContact O-N 3.44Å; T18-H21 PolarHBondContact O-N 3.17Å; H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 3.37Å; H21-I24 PolarHBondContact O-N 3.46Å; H21-I24 VanDerWaalsContact O-N 3.1Å; H21-Q25 PolarHBondContact CE1-OE1 3.38Å; H21-Q25 PolarHBondContact O-N 2.99Å |
| 22 | N | 97.7 | Very high | 97.2 | Very high | 75 Ų | 75 | 101.1 Ų | 101.1 | 40% | 0.401 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.4 | -46.4 | 179.2 | -66.9 | -1.4 | 0 | 0 | 0 | 110.6 | T18 I24 Q25 E26 | T18-N22 WeakPolarHBondContact O-CB 3.39Å; T18-N22 PolarHBondContact O-N 3.46Å; T18-N22 PolarHBondContact O-OD1 2.89Å; N22-I24 PolarHBondContact O-N 3.48Å; N22-Q25 WeakPolarHBondContact O-CB 3.34Å; N22-Q25 PolarHBondContact O-N 2.98Å; N22-Q25 VanDerWaalsContact O-N 3.17Å; N22-E26 WeakPolarHBondContact O-CB 3.47Å; N22-E26 VanDerWaalsContact O-CG 3.3Å; N22-E26 WeakPolarHBondContact O-CG 2.76Å; N22-E26 PolarHBondContact O-N 3.22Å |
| 23 | K | 97.9 | Very high | 97.2 | Very high | 118 Ų | 118 | 100.3 Ų | 100.3 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 176 | 179.1 | 177.1 | 173.7 | -176.8 | 0 | 113.2 | D19 H21 Q25 E27 | D19-K23 WeakPolarHBondContact O-CB 3.4Å; D19-K23 PolarHBondContact O-N 2.9Å; H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 3.37Å; K23-Q25 VanDerWaalsContact C-N 3.32Å; K23-E27 WeakPolarHBondContact CE-OE1 3.45Å; K23-E27 HydrophobicContact CG-CG 4.49Å; K23-E27 IonicContact NZ-OE1 2.92Å; K23-E27 PolarHBondContact NZ-OE1 3.29Å; K23-E27 WeakPolarHBondContact O-CB 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.06Å; K23-E27 PolarHBondContact O-N 2.94Å |
| 24 | I | 96.6 | Very high | 97.2 | Very high | 120 Ų | 120 | 104.8 Ų | 104.8 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 178.5 | -71 | 165.7 | 0 | 0 | 0 | 110.4 | A20 H21 N22 S28 | A20-I24 WeakPolarHBondContact O-CD1 3.3Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 2.85Å; A20-I24 VanDerWaalsContact O-N 3.14Å; H21-I24 PolarHBondContact O-N 3.46Å; H21-I24 VanDerWaalsContact O-N 3.1Å; N22-I24 PolarHBondContact O-N 3.48Å; I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 3.24Å |
| 25 | Q | 97.2 | Very high | 97.1 | Very high | 100 Ų | 100 | 105 Ų | 105 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -52.1 | 176.1 | -174.3 | 176.8 | -25.7 | 0 | 0 | 111.4 | H21 N22 K23 E27 S28 D29 | H21-Q25 PolarHBondContact CE1-OE1 3.38Å; H21-Q25 PolarHBondContact O-N 2.99Å; N22-Q25 WeakPolarHBondContact O-CB 3.34Å; N22-Q25 PolarHBondContact O-N 2.98Å; N22-Q25 VanDerWaalsContact O-N 3.17Å; K23-Q25 VanDerWaalsContact C-N 3.32Å; Q25-E27 PolarHBondContact O-N 3.42Å; Q25-S28 WeakPolarHBondContact O-CA 3.47Å; Q25-S28 WeakPolarHBondContact O-CB 3.39Å; Q25-S28 PolarHBondContact O-N 3.39Å; Q25-S28 PolarHBondContact O-OG 3.38Å; Q25-D29 PolarHBondContact O-N 2.92Å |
| 26 | E | 97.3 | Very high | 96.9 | Very high | 117 Ų | 117 | 107 Ų | 107 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.5 | -44.6 | 175.9 | -73.1 | 167.6 | -144 | 0 | 0 | 112.4 | N22 S28 D29 M30 | N22-E26 WeakPolarHBondContact O-CB 3.47Å; N22-E26 VanDerWaalsContact O-CG 3.3Å; N22-E26 WeakPolarHBondContact O-CG 2.76Å; N22-E26 PolarHBondContact O-N 3.22Å; E26-S28 VanDerWaalsContact C-N 3.34Å; E26-S28 PolarHBondContact O-N 3.1Å; E26-D29 PolarHBondContact O-N 3.1Å; E26-M30 WeakPolarHBondContact O-CB 3.49Å; E26-M30 WeakPolarHBondContact O-CG 3.36Å; E26-M30 PolarHBondContact O-N 3.22Å |
| 27 | E | 96.7 | Very high | 96.6 | Very high | 83 Ų | 83 | 104.2 Ų | 104.2 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.1 | -76.9 | -175.5 | -176.1 | 0 | 0 | 111 | K23 Q25 M30 W31 | K23-E27 WeakPolarHBondContact CE-OE1 3.45Å; K23-E27 HydrophobicContact CG-CG 4.49Å; K23-E27 IonicContact NZ-OE1 2.92Å; K23-E27 PolarHBondContact NZ-OE1 3.29Å; K23-E27 WeakPolarHBondContact O-CB 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.06Å; K23-E27 PolarHBondContact O-N 2.94Å; Q25-E27 PolarHBondContact O-N 3.42Å; E27-M30 HydrophobicContact CG-CE 4.06Å; E27-M30 PolarHBondContact O-N 3.39Å; E27-W31 PolarHBondContact O-N 2.8Å |
| 28 | S | 96.7 | Very high | 96.4 | Very high | 65 Ų | 65 | 102.1 Ų | 102.1 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 178.1 | 80.5 | 0 | 0 | 0 | 0 | 113.3 | I24 Q25 E26 W31 K32 | I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 3.24Å; Q25-S28 WeakPolarHBondContact O-CA 3.47Å; Q25-S28 WeakPolarHBondContact O-CB 3.39Å; Q25-S28 PolarHBondContact O-N 3.39Å; Q25-S28 PolarHBondContact O-OG 3.38Å; E26-S28 VanDerWaalsContact C-N 3.34Å; E26-S28 PolarHBondContact O-N 3.1Å; S28-W31 PolarHBondContact O-N 3.17Å; S28-K32 WeakPolarHBondContact O-CB 3.38Å; S28-K32 PolarHBondContact O-N 3.14Å |
| 29 | D | 96.8 | Very high | 96 | Very high | 56 Ų | 56 | 104.8 Ų | 104.8 | 30% | 0.299 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.7 | -34.6 | 176.2 | -83.1 | -47 | 0 | 0 | 0 | 111.6 | Q25 E26 K32 I33 | Q25-D29 PolarHBondContact O-N 2.92Å; E26-D29 PolarHBondContact O-N 3.1Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 IonicContact OD1-NZ 3.83Å; D29-K32 PolarHBondContact OD1-NZ 2.95Å; D29-I33 WeakPolarHBondContact O-CB 3.41Å; D29-I33 WeakPolarHBondContact O-CD1 3.44Å; D29-I33 VanDerWaalsContact O-CG1 3.23Å; D29-I33 WeakPolarHBondContact O-CG1 3.49Å; D29-I33 PolarHBondContact O-N 3.36Å |
| 30 | M | 97.8 | Very high | 95.5 | Very high | 117 Ų | 117 | 106.6 Ų | 106.6 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 170.2 | -78.5 | -169.6 | -71.6 | 0 | 0 | 112.6 | E26 E27 R34 | E26-M30 WeakPolarHBondContact O-CB 3.49Å; E26-M30 WeakPolarHBondContact O-CG 3.36Å; E26-M30 PolarHBondContact O-N 3.22Å; E27-M30 HydrophobicContact CG-CE 4.06Å; E27-M30 PolarHBondContact O-N 3.39Å; M30-R34 WeakPolarHBondContact O-CB 3.41Å; M30-R34 PolarHBondContact O-N 2.9Å |
| 31 | W | 97.3 | Very high | 94.9 | Very high | 182 Ų | 182 | 108.6 Ų | 108.6 | 69% | 0.689 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 174.7 | -75.9 | 113.5 | 0 | 0 | 0 | 112.2 | E27 S28 R34 E35 | E27-W31 PolarHBondContact O-N 2.8Å; S28-W31 PolarHBondContact O-N 3.17Å; W31-R34 PolarHBondContact O-N 3Å; W31-E35 PolarHBondContact O-N 3.47Å |
| 32 | K | 97.6 | Very high | 94.1 | Very high | 137 Ų | 137 | 107 Ų | 107 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 176.9 | 173.7 | 175.7 | 150.2 | -151.3 | 0 | 112.6 | S28 D29 E35 L36 | S28-K32 WeakPolarHBondContact O-CB 3.38Å; S28-K32 PolarHBondContact O-N 3.14Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 IonicContact OD1-NZ 3.83Å; D29-K32 PolarHBondContact OD1-NZ 2.95Å; K32-E35 PolarHBondContact O-N 3.42Å; K32-L36 WeakPolarHBondContact O-CB 3.38Å; K32-L36 PolarHBondContact O-N 3.13Å; K32-L36 VanDerWaalsContact O-N 3.09Å |
| 33 | I | 96.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 106.4 Ų | 106.4 | 59% | 0.585 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 171.8 | -70.3 | 162.8 | 0 | 0 | 0 | 110 | D29 E35 L36 E37 | D29-I33 WeakPolarHBondContact O-CB 3.41Å; D29-I33 WeakPolarHBondContact O-CD1 3.44Å; D29-I33 VanDerWaalsContact O-CG1 3.23Å; D29-I33 WeakPolarHBondContact O-CG1 3.49Å; D29-I33 PolarHBondContact O-N 3.36Å; I33-E35 PolarHBondContact O-N 3.25Å; I33-L36 PolarHBondContact O-N 3.16Å; I33-E37 WeakPolarHBondContact O-CB 3.38Å; I33-E37 PolarHBondContact O-N 2.65Å |
| 34 | R | 95.3 | Very high | 92.1 | Very high | 152 Ų | 152 | 107.8 Ų | 107.8 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 178.6 | 170.1 | 149.6 | -73.4 | 152 | 4.6 | 113.4 | M30 W31 L36 K38 | M30-R34 WeakPolarHBondContact O-CB 3.41Å; M30-R34 PolarHBondContact O-N 2.9Å; W31-R34 PolarHBondContact O-N 3Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 3.42Å |
| 35 | E | 95.1 | Very high | 90.8 | Very high | 78 Ų | 78 | 108.5 Ų | 108.5 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.3 | -35 | 177.9 | -176.1 | 53.4 | -144.6 | 0 | 0 | 111.6 | W31 K32 I33 K38 Q39 | W31-E35 PolarHBondContact O-N 3.47Å; K32-E35 PolarHBondContact O-N 3.42Å; I33-E35 PolarHBondContact O-N 3.25Å; E35-K38 IonicContact OE1-NZ 3.32Å; E35-K38 PolarHBondContact OE1-NZ 2.71Å; E35-K38 IonicContact OE2-NZ 2.66Å; E35-K38 PolarHBondContact OE2-NZ 3.05Å; E35-Q39 VanDerWaalsContact O-CG 3.3Å; E35-Q39 WeakPolarHBondContact O-CG 3.44Å; E35-Q39 PolarHBondContact O-N 2.86Å; E35-Q39 PolarHBondContact OE1-NE2 2.98Å |
| 36 | L | 94.1 | Very high | 89.2 | Confident | 121 Ų | 121 | 104.9 Ų | 104.9 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.7 | -44.3 | 174.1 | -171.9 | 149.9 | 0 | 0 | 0 | 112.3 | K32 I33 R34 K38 Q39 M40 | K32-L36 WeakPolarHBondContact O-CB 3.38Å; K32-L36 PolarHBondContact O-N 3.13Å; K32-L36 VanDerWaalsContact O-N 3.09Å; I33-L36 PolarHBondContact O-N 3.16Å; R34-L36 VanDerWaalsContact C-N 3.34Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.09Å; L36-Q39 PolarHBondContact O-N 3.1Å; L36-M40 PolarHBondContact O-N 2.83Å |
| 37 | E | 90.7 | Very high | 87.3 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.4 | -49.1 | 171.3 | 176.7 | -174.1 | -146.1 | 0 | 0 | 110.6 | I33 Q39 M40 E41 | I33-E37 WeakPolarHBondContact O-CB 3.38Å; I33-E37 PolarHBondContact O-N 2.65Å; E37-Q39 PolarHBondContact O-N 3.49Å; E37-M40 PolarHBondContact O-N 2.9Å; E37-E41 WeakPolarHBondContact O-CB 3.45Å; E37-E41 PolarHBondContact O-N 3.49Å |
| 38 | K | 93.1 | Very high | 85.5 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 40% | 0.404 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.1 | 170.9 | 172.1 | 144.5 | -77.7 | 0 | 112.6 | R34 E35 L36 E41 D42 | R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 3.42Å; E35-K38 IonicContact OE1-NZ 3.32Å; E35-K38 PolarHBondContact OE1-NZ 2.71Å; E35-K38 IonicContact OE2-NZ 2.66Å; E35-K38 PolarHBondContact OE2-NZ 3.05Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.09Å; K38-E41 PolarHBondContact O-N 2.9Å; K38-D42 WeakPolarHBondContact O-CB 3.49Å; K38-D42 PolarHBondContact O-N 3.27Å |
| 39 | Q | 90.1 | Very high | 83.6 | Confident | 120 Ų | 120 | 110 Ų | 110 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -39 | 177.2 | -75 | 174.6 | 27.1 | 0 | 0 | 112.2 | E35 L36 E37 A43 | E35-Q39 VanDerWaalsContact O-CG 3.3Å; E35-Q39 WeakPolarHBondContact O-CG 3.44Å; E35-Q39 PolarHBondContact O-N 2.86Å; E35-Q39 PolarHBondContact OE1-NE2 2.98Å; L36-Q39 PolarHBondContact O-N 3.1Å; E37-Q39 PolarHBondContact O-N 3.49Å; Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 3.01Å |
| 40 | M | 86 | Confident | 81.7 | Confident | 129 Ų | 129 | 115.9 Ų | 115.9 | 64% | 0.635 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 171.7 | -179.1 | -179.4 | 67.1 | 0 | 0 | 111.6 | L36 E37 A43 Y44 | L36-M40 PolarHBondContact O-N 2.83Å; E37-M40 PolarHBondContact O-N 2.9Å; M40-A43 PolarHBondContact O-N 3.03Å; M40-Y44 WeakPolarHBondContact O-CB 3.05Å; M40-Y44 PolarHBondContact O-N 3.21Å |
| 41 | E | 85.2 | Confident | 79.7 | Confident | 89 Ų | 89 | 117.7 Ų | 117.7 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 179 | -170.4 | 179.4 | -156.2 | 0 | 0 | 112.1 | E37 K38 A43 Y44 R45 | E37-E41 WeakPolarHBondContact O-CB 3.45Å; E37-E41 PolarHBondContact O-N 3.49Å; K38-E41 PolarHBondContact O-N 2.9Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 2.9Å; E41-Y44 PolarHBondContact O-N 3.42Å; E41-R45 VanDerWaalsContact CD-NE 3.27Å; E41-R45 HydrophobicContact CG-CG 4.14Å; E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.33Å; E41-R45 VanDerWaalsContact O-CG 3.29Å; E41-R45 WeakPolarHBondContact O-CG 3.43Å; E41-R45 PolarHBondContact O-N 2.81Å; E41-R45 IonicContact OE1-CZ 3.19Å; E41-R45 IonicContact OE1-NE 3.84Å; E41-R45 PolarHBondContact OE1-NE 2.78Å; E41-R45 IonicContact OE1-NH2 2.85Å; E41-R45 PolarHBondContact OE1-NH2 3.33Å |
| 42 | D | 81.6 | Confident | 77.6 | Confident | 84 Ų | 84 | 115.4 Ų | 115.4 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67 | -32 | 175.8 | -100 | -40.7 | 0 | 0 | 0 | 112.2 | K38 G46 R49 | K38-D42 WeakPolarHBondContact O-CB 3.49Å; K38-D42 PolarHBondContact O-N 3.27Å; D42-G46 VanDerWaalsContact O-CA 3.31Å; D42-G46 WeakPolarHBondContact O-CA 3.46Å; D42-G46 PolarHBondContact O-N 3.47Å; D42-R49 IonicContact OD1-NH2 2.76Å; D42-R49 PolarHBondContact OD1-NH2 3.33Å |
| 43 | A | 82.7 | Confident | 75.5 | Confident | 61 Ų | 61 | 114.5 Ų | 114.5 | 50% | 0.504 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -49.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q39 M40 E41 G46 T47 | Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 3.01Å; M40-A43 PolarHBondContact O-N 3.03Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 2.9Å; A43-G46 WeakPolarHBondContact O-CA 3.45Å; A43-G46 PolarHBondContact O-N 3.02Å; A43-G46 VanDerWaalsContact O-N 3.13Å; A43-T47 PolarHBondContact O-N 3.35Å; A43-T47 PolarHBondContact O-OG1 3.02Å |
| 44 | Y | 71.1 | Confident | 73.6 | Confident | 148 Ų | 148 | 115 Ų | 115 | 58% | 0.58 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.4 | -46.4 | 178.7 | -172.9 | -100.1 | 0 | 0 | 0 | 112.5 | M40 E41 G46 T47 K48 | M40-Y44 WeakPolarHBondContact O-CB 3.05Å; M40-Y44 PolarHBondContact O-N 3.21Å; E41-Y44 PolarHBondContact O-N 3.42Å; Y44-G46 VanDerWaalsContact C-N 3.28Å; Y44-G46 PolarHBondContact O-N 3.39Å; Y44-T47 PolarHBondContact O-N 2.83Å; Y44-K48 HydrophobicContact CD1-CD 4.35Å; Y44-K48 HydrophobicContact CE1-CD 3.79Å; Y44-K48 PolarHBondContact O-N 2.83Å; Y44-K48 WeakPolarHBondContact OH-CE 3.24Å; Y44-K48 PolarHBondContact OH-NZ 3.3Å |
| 45 | R | 67.9 | Low | 71.6 | Confident | 134 Ų | 134 | 113 Ų | 113 | 51% | 0.506 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.1 | -25.3 | 173.7 | -68.6 | -179.4 | -178.8 | -84.3 | -0.6 | 112.3 | E41 R49 | E41-R45 VanDerWaalsContact CD-NE 3.27Å; E41-R45 HydrophobicContact CG-CG 4.14Å; E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.33Å; E41-R45 VanDerWaalsContact O-CG 3.29Å; E41-R45 WeakPolarHBondContact O-CG 3.43Å; E41-R45 PolarHBondContact O-N 2.81Å; E41-R45 IonicContact OE1-CZ 3.19Å; E41-R45 IonicContact OE1-NE 3.84Å; E41-R45 PolarHBondContact OE1-NE 2.78Å; E41-R45 IonicContact OE1-NH2 2.85Å; E41-R45 PolarHBondContact OE1-NH2 3.33Å; R45-R49 VanDerWaalsContact O-CB 3.25Å; R45-R49 WeakPolarHBondContact O-CB 3.46Å; R45-R49 VanDerWaalsContact O-CG 3.27Å; R45-R49 WeakPolarHBondContact O-CG 3.24Å; R45-R49 PolarHBondContact O-N 2.66Å; R45-R49 PolarHBondContact O-NE 2.76Å |
| 46 | G | 63.9 | Low | 70 | Confident | 24 Ų | 24 | 113.7 Ų | 113.7 | 25% | 0.247 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -70.6 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D42 A43 Y44 K50 | D42-G46 VanDerWaalsContact O-CA 3.31Å; D42-G46 WeakPolarHBondContact O-CA 3.46Å; D42-G46 PolarHBondContact O-N 3.47Å; A43-G46 WeakPolarHBondContact O-CA 3.45Å; A43-G46 PolarHBondContact O-N 3.02Å; A43-G46 VanDerWaalsContact O-N 3.13Å; Y44-G46 VanDerWaalsContact C-N 3.28Å; Y44-G46 PolarHBondContact O-N 3.39Å; G46-K50 WeakPolarHBondContact O-CG 3.44Å |
| 47 | T | 58.8 | Low | 68.1 | Low | 92 Ų | 92 | 113.2 Ų | 113.2 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.2 | -51.1 | 171.6 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | A43 Y44 R49 K50 | A43-T47 PolarHBondContact O-N 3.35Å; A43-T47 PolarHBondContact O-OG1 3.02Å; Y44-T47 PolarHBondContact O-N 2.83Å; T47-R49 VanDerWaalsContact C-N 3.34Å; T47-R49 PolarHBondContact O-N 3.32Å; T47-K50 PolarHBondContact O-N 3.46Å; T47-K50 VanDerWaalsContact O-N 3.08Å |
| 48 | K | 57.9 | Low | 66.4 | Low | 114 Ų | 114 | 117.7 Ų | 117.7 | 50% | 0.496 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.7 | -33.1 | -178.1 | -75.3 | -169.8 | 166.2 | -177.4 | 0 | 114 | Y44 K50 M51 | Y44-K48 HydrophobicContact CD1-CD 4.35Å; Y44-K48 HydrophobicContact CE1-CD 3.79Å; Y44-K48 PolarHBondContact O-N 2.83Å; Y44-K48 WeakPolarHBondContact OH-CE 3.24Å; Y44-K48 PolarHBondContact OH-NZ 3.3Å; K48-K50 PolarHBondContact O-N 3.14Å; K48-M51 PolarHBondContact O-N 3.42Å |
| 49 | R | 56.4 | Low | 64.9 | Low | 166 Ų | 166 | 122.4 Ų | 122.4 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -11.3 | 174.9 | -79.2 | -179.6 | -74 | -176.9 | -6.8 | 114.8 | D42 R45 T47 | D42-R49 IonicContact OD1-NH2 2.76Å; D42-R49 PolarHBondContact OD1-NH2 3.33Å; R45-R49 VanDerWaalsContact O-CB 3.25Å; R45-R49 WeakPolarHBondContact O-CB 3.46Å; R45-R49 VanDerWaalsContact O-CG 3.27Å; R45-R49 WeakPolarHBondContact O-CG 3.24Å; R45-R49 PolarHBondContact O-N 2.66Å; R45-R49 PolarHBondContact O-NE 2.76Å; T47-R49 VanDerWaalsContact C-N 3.34Å; T47-R49 PolarHBondContact O-N 3.32Å |
| 50 | K | 57.5 | Low | 63.5 | Low | 180 Ų | 180 | 125.9 Ų | 125.9 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -15.2 | 175.4 | -69.2 | 173.1 | -177.5 | -179.2 | 0 | 113.6 | G46 T47 K48 | G46-K50 WeakPolarHBondContact O-CG 3.44Å; T47-K50 PolarHBondContact O-N 3.46Å; T47-K50 VanDerWaalsContact O-N 3.08Å; K48-K50 PolarHBondContact O-N 3.14Å |
| 51 | M | 55.3 | Low | 62 | Low | 156 Ų | 156 | 125.3 Ų | 125.3 | 77% | 0.768 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -107.1 | 6.3 | -173.1 | -64.2 | -59.5 | -166.7 | 0 | 0 | 114.2 | K48 | K48-M51 PolarHBondContact O-N 3.42Š|
| 52 | L | 54.3 | Low | 61.1 | Low | 134 Ų | 134 | 128.6 Ų | 128.6 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -132.9 | 125.6 | 179.4 | -72.9 | 170.6 | 0 | 0 | 0 | 110.6 | ||
| 53 | P | 52.5 | Low | 59.6 | Low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | trans | -64.1 | 142 | 168.3 | 28.6 | -33.4 | 0 | 0 | 0 | 109.5 | S55 | P53-S55 PolarHBondContact O-N 3.24Š| ||
| 54 | S | 56.3 | Low | 58.1 | Low | 125 Ų | 125 | 132.7 Ų | 132.7 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -74.6 | 74.1 | -175.3 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | S56 | S54-S56 PolarHBondContact O-N 3.29Š| ||
| 55 | S | 53.6 | Low | 57.6 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -73.4 | 75.8 | 175.4 | -161.9 | 0 | 0 | 0 | 0 | 110.6 | P53 | P53-S55 PolarHBondContact O-N 3.24Š| ||
| 56 | S | 61.2 | Low | 56.9 | Low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | trans | -66.5 | 146.7 | 168 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | S54 | S54-S56 PolarHBondContact O-N 3.29Š| ||
| 57 | S | 54.5 | Low | 56.3 | Low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | 53 | 89.5 | 173 | 52.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 58 | R | 54 | Low | 56.2 | Low | 192 Ų | 192 | 133 Ų | 133 | 73% | 0.725 | 71% | 0.705 | S | S | * | * | trans | -130.4 | 92.9 | 149.5 | -139.4 | 177.6 | -160.1 | -178 | 7.3 | 109.6 | R60 | R58-R60 PolarHBondContact O-N 3.2Š| ||
| 59 | M | 61.3 | Low | 56.1 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 95% | 0.946 | 71% | 0.706 | S | S | * | * | trans | -67.8 | 116.7 | 164.9 | -73 | 171.3 | 61.5 | 0 | 0 | 107.6 | ||||
| 60 | R | 62 | Low | 55.9 | Low | 194 Ų | 194 | 132.6 Ų | 132.6 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | trans | -133.7 | 106.6 | 164.4 | -77.1 | -165.2 | 163.1 | 177.5 | -8.7 | 108.8 | R58 | R58-R60 PolarHBondContact O-N 3.2Š| ||
| 61 | S | 54.8 | Low | 55.7 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -88.2 | 138.3 | 162 | 48.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 62 | D | 64.8 | Low | 55.3 | Low | 158 Ų | 158 | 132.2 Ų | 132.2 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | trans | 66.1 | 157.8 | -179.6 | -143 | -17.5 | 0 | 0 | 0 | 115.5 | ||||
| 63 | G | 51.8 | Low | 54.9 | Low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | 117.7 | 49.5 | -161.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D65 | G63-D65 PolarHBondContact O-N 3.01Š| ||
| 64 | F | 51.1 | Low | 54.7 | Low | 160 Ų | 160 | 139.3 Ų | 139.3 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | trans | -72.9 | 105.5 | 166.5 | 178.4 | -100.2 | 0 | 0 | 0 | 109.3 | E66 | F64-E66 HydrophobicContact CD1-CG 4.31Å; F64-E66 HydrophobicContact CE1-CG 3.51Å; F64-E66 HydrophobicContact CZ-CG 4.01Å | ||
| 65 | D | 59.3 | Low | 54.4 | Low | 99 Ų | 99 | 138 Ų | 138 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | trans | -110.5 | 111.4 | 178.9 | 172.9 | 21.7 | 0 | 0 | 0 | 109.5 | G63 E67 | G63-D65 PolarHBondContact O-N 3.01Å; D65-E67 VanDerWaalsContact C-N 3.26Å; D65-E67 PolarHBondContact O-N 3.39Å; D65-E67 WeakPolarHBondContact OD1-CB 3.16Å; D65-E67 PolarHBondContact OD1-N 3.09Å; D65-E67 VanDerWaalsContact OD1-N 3.07Å | ||
| 66 | E | 53 | Low | 54.1 | Low | 125 Ų | 125 | 140.2 Ų | 140.2 | 58% | 0.584 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -66.9 | -25.6 | -179.8 | -70.3 | -163.4 | 136.3 | 0 | 0 | 112.8 | F64 S68 Q69 | F64-E66 HydrophobicContact CD1-CG 4.31Å; F64-E66 HydrophobicContact CE1-CG 3.51Å; F64-E66 HydrophobicContact CZ-CG 4.01Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.44Å; E66-Q69 WeakPolarHBondContact O-CB 3.47Å; E66-Q69 PolarHBondContact O-N 2.97Å; E66-Q69 VanDerWaalsContact O-N 3.11Å |
| 67 | E | 51.6 | Low | 53.8 | Low | 113 Ų | 113 | 141.4 Ų | 141.4 | 53% | 0.528 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -66.6 | -40.2 | -177.2 | -154.9 | 68.8 | -90 | 0 | 0 | 110.7 | D65 Q69 R70 | D65-E67 VanDerWaalsContact C-N 3.26Å; D65-E67 PolarHBondContact O-N 3.39Å; D65-E67 WeakPolarHBondContact OD1-CB 3.16Å; D65-E67 PolarHBondContact OD1-N 3.09Å; D65-E67 VanDerWaalsContact OD1-N 3.07Å; E67-Q69 PolarHBondContact O-N 3.39Å; E67-R70 PolarHBondContact O-N 2.87Å; E67-R70 IonicContact OE1-CZ 2.78Å; E67-R70 IonicContact OE1-NE 3.43Å; E67-R70 PolarHBondContact OE1-NE 3.04Å; E67-R70 IonicContact OE1-NH2 2.66Å; E67-R70 PolarHBondContact OE1-NH2 3.05Å; E67-R70 IonicContact OE2-NH2 3.14Å |
| 68 | S | 57.6 | Low | 53.6 | Low | 68 Ų | 68 | 143.4 Ų | 143.4 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -58.4 | -18.9 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 113.9 | E66 Y72 | E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.44Å; S68-Y72 PolarHBondContact O-N 2.91Å |
| 69 | Q | 54.4 | Low | 53.4 | Low | 109 Ų | 109 | 141 Ų | 141 | 51% | 0.509 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -83.4 | -26 | -177.2 | -159.6 | 172.7 | 27 | 0 | 0 | 113 | E66 E67 Y72 | E66-Q69 WeakPolarHBondContact O-CB 3.47Å; E66-Q69 PolarHBondContact O-N 2.97Å; E66-Q69 VanDerWaalsContact O-N 3.11Å; E67-Q69 PolarHBondContact O-N 3.39Å; Q69-Y72 PolarHBondContact O-N 3.28Å |
| 70 | R | 52.6 | Low | 53 | Low | 162 Ų | 162 | 133.9 Ų | 133.9 | 61% | 0.611 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.7 | -42.3 | 174.8 | -78.7 | -173.9 | -90 | -98.4 | 4.8 | 111.8 | E67 Y72 | E67-R70 PolarHBondContact O-N 2.87Å; E67-R70 IonicContact OE1-CZ 2.78Å; E67-R70 IonicContact OE1-NE 3.43Å; E67-R70 PolarHBondContact OE1-NE 3.04Å; E67-R70 IonicContact OE1-NH2 2.66Å; E67-R70 PolarHBondContact OE1-NH2 3.05Å; E67-R70 IonicContact OE2-NH2 3.14Å; R70-Y72 VanDerWaalsContact C-N 3.27Å; R70-Y72 PolarHBondContact O-N 3Å |
| 71 | D | 52.8 | Low | 52.6 | Low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.8 | -17.5 | 176 | -80.7 | -3.5 | 0 | 0 | 0 | 113.6 | ||
| 72 | Y | 48.1 | Very low | 52.8 | Low | 191 Ų | 191 | 127 Ų | 127 | 75% | 0.749 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.1 | -23.4 | -179.1 | -148 | -93.6 | 0 | 0 | 0 | 113.9 | S68 Q69 R70 | S68-Y72 PolarHBondContact O-N 2.91Å; Q69-Y72 PolarHBondContact O-N 3.28Å; R70-Y72 VanDerWaalsContact C-N 3.27Å; R70-Y72 PolarHBondContact O-N 3Å |
| 73 | W | 45.8 | Very low | 52.5 | Low | 207 Ų | 207 | 126 Ų | 126 | 78% | 0.784 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -99.4 | -13.2 | -178.2 | -70.5 | 112.2 | 0 | 0 | 0 | 114.5 | ||
| 74 | R | 47.3 | Very low | 53 | Low | 194 Ų | 194 | 126.9 Ų | 126.9 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -97.4 | 114.4 | 168.6 | -176.3 | 179.6 | -68.7 | -94.9 | 3.5 | 108.6 | K76 | R74-K76 PolarHBondContact O-N 3.41Š|
| 75 | P | 50.6 | Low | 54 | Low | 97 Ų | 97 | 123.2 Ų | 123.2 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | trans | -54.3 | 129.6 | 173.6 | -26.1 | 35.3 | 0 | 0 | 0 | 110.9 | N77 | P75-N77 PolarHBondContact O-N 2.64Å; P75-N77 PolarHBondContact O-OD1 2.92Å | ||
| 76 | K | 48.2 | Very low | 55 | Low | 156 Ų | 156 | 123.4 Ų | 123.4 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | trans | -73.6 | 98.3 | 178 | -176.1 | 150.9 | 179.2 | 154.6 | 0 | 109.1 | R74 E78 | R74-K76 PolarHBondContact O-N 3.41Å; K76-E78 VanDerWaalsContact CE-OE1 3.27Å; K76-E78 WeakPolarHBondContact CE-OE1 3.21Å; K76-E78 WeakPolarHBondContact CE-OE2 3.3Å; K76-E78 HydrophobicContact CG-CG 4.38Å; K76-E78 IonicContact NZ-OE1 2.75Å; K76-E78 IonicContact NZ-OE2 3.9Å; K76-E78 PolarHBondContact O-N 3.31Å | ||
| 77 | N | 54.9 | Low | 56.1 | Low | 117 Ų | 117 | 123.7 Ų | 123.7 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 31.2 | -163.2 | -80.5 | -15 | 0 | 0 | 0 | 116 | P75 S80 | P75-N77 PolarHBondContact O-N 2.64Å; P75-N77 PolarHBondContact O-OD1 2.92Å; N77-S80 VanDerWaalsContact CA-OG 3.29Å; N77-S80 WeakPolarHBondContact CA-OG 3.33Å; N77-S80 PolarHBondContact OD1-OG 3.46Å; N77-S80 VanDerWaalsContact OD1-OG 3.11Å |
| 78 | E | 49.5 | Very low | 57.6 | Low | 152 Ų | 152 | 122.6 Ų | 122.6 | 71% | 0.71 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -2 | -175.6 | -66.9 | 166.2 | -177.6 | 0 | 0 | 113 | K76 | K76-E78 VanDerWaalsContact CE-OE1 3.27Å; K76-E78 WeakPolarHBondContact CE-OE1 3.21Å; K76-E78 WeakPolarHBondContact CE-OE2 3.3Å; K76-E78 HydrophobicContact CG-CG 4.38Å; K76-E78 IonicContact NZ-OE1 2.75Å; K76-E78 IonicContact NZ-OE2 3.9Å; K76-E78 PolarHBondContact O-N 3.31Å |
| 79 | I | 50.9 | Low | 58.9 | Low | 141 Ų | 141 | 122.6 Ų | 122.6 | 72% | 0.723 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -123.4 | 8.4 | 173.1 | -37.2 | -178.9 | 0 | 0 | 0 | 110.6 | G81 | I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.7Å; I79-G81 VanDerWaalsContact O-N 3.14Å |
| 80 | S | 51.9 | Low | 60.4 | Low | 44 Ų | 44 | 119.5 Ų | 119.5 | 31% | 0.308 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.1 | 3.7 | -165.7 | -59.4 | 0 | 0 | 0 | 0 | 115.6 | N77 E84 | N77-S80 VanDerWaalsContact CA-OG 3.29Å; N77-S80 WeakPolarHBondContact CA-OG 3.33Å; N77-S80 PolarHBondContact OD1-OG 3.46Å; N77-S80 VanDerWaalsContact OD1-OG 3.11Å; S80-E84 VanDerWaalsContact O-CB 3.24Å; S80-E84 WeakPolarHBondContact O-CB 3.16Å |
| 81 | G | 53.5 | Low | 62.1 | Low | 65 Ų | 65 | 118.6 Ų | 118.6 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I79 | I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.7Å; I79-G81 VanDerWaalsContact O-N 3.14Å |
| 82 | T | 59.3 | Low | 63.9 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -101 | -37.4 | -171.6 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | D86 | T82-D86 PolarHBondContact O-N 2.82Å |
| 83 | L | 57.5 | Low | 66 | Low | 136 Ų | 136 | 114 Ų | 114 | 71% | 0.712 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73 | -33.9 | -179 | -172.6 | 148.3 | 0 | 0 | 0 | 112.2 | F87 | L83-F87 WeakPolarHBondContact O-CB 3.29Å; L83-F87 PolarHBondContact O-N 3.25Å |
| 84 | E | 63.8 | Low | 68.2 | Low | 89 Ų | 89 | 108.3 Ų | 108.3 | 42% | 0.416 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.9 | -42.2 | 175 | -128.7 | -68.9 | 140.6 | 0 | 0 | 110.4 | S80 D86 F87 L88 | S80-E84 VanDerWaalsContact O-CB 3.24Å; S80-E84 WeakPolarHBondContact O-CB 3.16Å; E84-D86 VanDerWaalsContact C-N 3.32Å; E84-D86 PolarHBondContact O-N 2.96Å; E84-F87 CarbonylContact O-C 3.57Å; E84-F87 WeakPolarHBondContact O-CA 3.37Å; E84-F87 WeakPolarHBondContact O-CB 3.49Å; E84-F87 PolarHBondContact O-N 3.25Å; E84-L88 WeakPolarHBondContact O-CB 3.34Å; E84-L88 WeakPolarHBondContact O-CG 3.29Å; E84-L88 PolarHBondContact O-N 2.96Å; E84-L88 VanDerWaalsContact OE2-CD1 3.22Å; E84-L88 WeakPolarHBondContact OE2-CD1 3.43Å; E84-L88 WeakPolarHBondContact OE2-CG 3.27Å |
| 85 | D | 71.1 | Confident | 70.3 | Confident | 83 Ų | 83 | 105.4 Ų | 105.4 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.1 | -37 | 170.8 | 177.2 | 49.5 | 0 | 0 | 0 | 112.6 | K89 | D85-K89 VanDerWaalsContact C-NZ 3.33Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 PolarHBondContact O-N 2.75Å; D85-K89 PolarHBondContact O-NZ 2.89Å; D85-K89 IonicContact OD1-NZ 2.75Å; D85-K89 PolarHBondContact OD1-NZ 2.99Å; D85-K89 IonicContact OD2-NZ 2.7Å; D85-K89 PolarHBondContact OD2-NZ 3.46Å |
| 86 | D | 80.3 | Confident | 72.3 | Confident | 103 Ų | 103 | 105.7 Ų | 105.7 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71 | -29.4 | 171.9 | -87.9 | -8.4 | 0 | 0 | 0 | 113.5 | T82 E84 K89 A90 | T82-D86 PolarHBondContact O-N 2.82Å; E84-D86 VanDerWaalsContact C-N 3.32Å; E84-D86 PolarHBondContact O-N 2.96Å; D86-K89 IonicContact OD1-NZ 2.64Å; D86-K89 PolarHBondContact OD1-NZ 3.26Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.27Å; D86-A90 PolarHBondContact O-N 2.83Å |
| 87 | F | 77.3 | Confident | 74.2 | Confident | 132 Ų | 132 | 102.5 Ų | 102.5 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.2 | -44 | 173.1 | -172.4 | -105.5 | 0 | 0 | 0 | 112.3 | L83 E84 K89 A90 K91 | L83-F87 WeakPolarHBondContact O-CB 3.29Å; L83-F87 PolarHBondContact O-N 3.25Å; E84-F87 CarbonylContact O-C 3.57Å; E84-F87 WeakPolarHBondContact O-CA 3.37Å; E84-F87 WeakPolarHBondContact O-CB 3.49Å; E84-F87 PolarHBondContact O-N 3.25Å; F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 2.79Å; F87-A90 PolarHBondContact O-N 2.91Å; F87-K91 WeakPolarHBondContact O-CB 3.45Å; F87-K91 PolarHBondContact O-N 3.4Å |
| 88 | L | 82.8 | Confident | 75.7 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 170.9 | -73.8 | 170.9 | 0 | 0 | 0 | 111.4 | E84 K91 S92 | E84-L88 WeakPolarHBondContact O-CB 3.34Å; E84-L88 WeakPolarHBondContact O-CG 3.29Å; E84-L88 PolarHBondContact O-N 2.96Å; E84-L88 VanDerWaalsContact OE2-CD1 3.22Å; E84-L88 WeakPolarHBondContact OE2-CD1 3.43Å; E84-L88 WeakPolarHBondContact OE2-CG 3.27Å; L88-K91 CarbonylContact O-C 3.6Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 3.23Å; L88-S92 WeakPolarHBondContact O-CB 3.36Å; L88-S92 PolarHBondContact O-N 2.94Å; L88-S92 PolarHBondContact O-OG 3.45Å |
| 89 | K | 84.6 | Confident | 77.5 | Confident | 67 Ų | 67 | 100.6 Ų | 100.6 | 29% | 0.291 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 175.7 | -172 | -178.4 | -54.6 | 87.4 | 0 | 111.3 | D85 D86 F87 K91 S92 W93 | D85-K89 VanDerWaalsContact C-NZ 3.33Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 PolarHBondContact O-N 2.75Å; D85-K89 PolarHBondContact O-NZ 2.89Å; D85-K89 IonicContact OD1-NZ 2.75Å; D85-K89 PolarHBondContact OD1-NZ 2.99Å; D85-K89 IonicContact OD2-NZ 2.7Å; D85-K89 PolarHBondContact OD2-NZ 3.46Å; D86-K89 IonicContact OD1-NZ 2.64Å; D86-K89 PolarHBondContact OD1-NZ 3.26Å; F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 2.79Å; K89-K91 VanDerWaalsContact C-N 3.3Å; K89-K91 PolarHBondContact O-N 3.46Å; K89-S92 PolarHBondContact O-N 3.39Å; K89-S92 PolarHBondContact O-OG 2.88Å; K89-W93 PolarHBondContact O-N 3.41Å |
| 90 | A | 85.1 | Confident | 79.2 | Confident | 45 Ų | 45 | 101.6 Ų | 101.6 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D86 F87 N94 | D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.27Å; D86-A90 PolarHBondContact O-N 2.83Å; F87-A90 PolarHBondContact O-N 2.91Å; A90-N94 PolarHBondContact O-N 2.78Å; A90-N94 PolarHBondContact O-ND2 3.32Å |
| 91 | K | 89.1 | Confident | 80.8 | Confident | 142 Ų | 142 | 102.8 Ų | 102.8 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 176.6 | -169.9 | 176.8 | -179.2 | -178.5 | 0 | 112.4 | F87 L88 K89 N94 K95 | F87-K91 WeakPolarHBondContact O-CB 3.45Å; F87-K91 PolarHBondContact O-N 3.4Å; L88-K91 CarbonylContact O-C 3.6Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 3.23Å; K89-K91 VanDerWaalsContact C-N 3.3Å; K89-K91 PolarHBondContact O-N 3.46Å; K91-N94 PolarHBondContact O-N 3.34Å; K91-K95 PolarHBondContact O-N 3.49Å |
| 92 | S | 90.3 | Very high | 82.3 | Confident | 68 Ų | 68 | 103.5 Ų | 103.5 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.1 | -34.3 | 177.2 | 71.7 | 0 | 0 | 0 | 0 | 112.8 | L88 K89 K95 K96 | L88-S92 WeakPolarHBondContact O-CB 3.36Å; L88-S92 PolarHBondContact O-N 2.94Å; L88-S92 PolarHBondContact O-OG 3.45Å; K89-S92 PolarHBondContact O-N 3.39Å; K89-S92 PolarHBondContact O-OG 2.88Å; S92-K95 PolarHBondContact O-N 3.02Å; S92-K96 VanDerWaalsContact O-CB 3.27Å; S92-K96 WeakPolarHBondContact O-CB 3.48Å; S92-K96 PolarHBondContact O-N 3.28Å |
| 93 | W | 93.1 | Very high | 83.5 | Confident | 165 Ų | 165 | 105 Ų | 105 | 63% | 0.625 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | 167.4 | -77.5 | 115.3 | 0 | 0 | 0 | 111.9 | K89 K96 L97 | K89-W93 PolarHBondContact O-N 3.41Å; W93-K96 PolarHBondContact O-N 3.41Å; W93-L97 WeakPolarHBondContact O-CB 3.43Å; W93-L97 PolarHBondContact O-N 2.66Å |
| 94 | N | 90.4 | Very high | 84.6 | Confident | 87 Ų | 87 | 104.1 Ų | 104.1 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.4 | -83.6 | -85.1 | 0 | 0 | 0 | 111.5 | A90 K91 K96 L97 Y98 | A90-N94 PolarHBondContact O-N 2.78Å; A90-N94 PolarHBondContact O-ND2 3.32Å; K91-N94 PolarHBondContact O-N 3.34Å; N94-K96 PolarHBondContact O-N 2.85Å; N94-L97 WeakPolarHBondContact O-CB 3.48Å; N94-L97 PolarHBondContact O-N 2.83Å; N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 2.86Å |
| 95 | K | 91.6 | Very high | 85.3 | Confident | 133 Ų | 133 | 106.2 Ų | 106.2 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.1 | -50.1 | 175 | -167.9 | -157.6 | 167.6 | -170.9 | 0 | 111 | K91 S92 L97 Y98 D99 | K91-K95 PolarHBondContact O-N 3.49Å; S92-K95 PolarHBondContact O-N 3.02Å; K95-L97 PolarHBondContact O-N 2.82Å; K95-Y98 WeakPolarHBondContact O-CB 3.47Å; K95-Y98 PolarHBondContact O-N 3.41Å; K95-D99 WeakPolarHBondContact CE-OD2 3.48Å; K95-D99 PolarHBondContact O-N 3.27Å |
| 96 | K | 92.7 | Very high | 85.7 | Confident | 103 Ų | 103 | 108.8 Ų | 108.8 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.2 | -33.2 | 179.8 | -173.9 | 166.7 | -177.8 | 168.5 | 0 | 112.6 | S92 W93 N94 Y100 | S92-K96 VanDerWaalsContact O-CB 3.27Å; S92-K96 WeakPolarHBondContact O-CB 3.48Å; S92-K96 PolarHBondContact O-N 3.28Å; W93-K96 PolarHBondContact O-N 3.41Å; N94-K96 PolarHBondContact O-N 2.85Å; K96-Y100 HydrophobicContact CD-CE2 4.47Å; K96-Y100 HydrophobicContact CG-CD2 4.01Å; K96-Y100 HydrophobicContact CG-CE2 3.95Å; K96-Y100 VanDerWaalsContact O-CD2 3.24Å; K96-Y100 WeakPolarHBondContact O-CD2 2.98Å; K96-Y100 PolarHBondContact O-N 3.04Å |
| 97 | L | 89.6 | Confident | 85.5 | Confident | 89 Ų | 89 | 109.2 Ų | 109.2 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -50 | 171.8 | -176.1 | 153.2 | 0 | 0 | 0 | 110.9 | W93 N94 K95 D99 Y100 E101 | W93-L97 WeakPolarHBondContact O-CB 3.43Å; W93-L97 PolarHBondContact O-N 2.66Å; N94-L97 WeakPolarHBondContact O-CB 3.48Å; N94-L97 PolarHBondContact O-N 2.83Å; K95-L97 PolarHBondContact O-N 2.82Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 2.89Å; L97-Y100 PolarHBondContact O-N 3.24Å; L97-E101 VanDerWaalsContact CD2-CD 3.44Å; L97-E101 HydrophobicContact CD2-CG 4.07Å; L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.47Å |
| 98 | Y | 85.5 | Confident | 85.2 | Confident | 145 Ų | 145 | 114.6 Ų | 114.6 | 57% | 0.569 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.7 | -42.3 | 174.2 | -73.9 | -68.4 | 0 | 0 | 0 | 112.6 | N94 K95 E101 A102 | N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 2.86Å; K95-Y98 WeakPolarHBondContact O-CB 3.47Å; K95-Y98 PolarHBondContact O-N 3.41Å; Y98-E101 PolarHBondContact O-N 3.33Å; Y98-A102 VanDerWaalsContact O-CB 3.24Å; Y98-A102 WeakPolarHBondContact O-CB 3.27Å; Y98-A102 PolarHBondContact O-N 2.85Å |
| 99 | D | 87.4 | Confident | 84.6 | Confident | 84 Ų | 84 | 112.1 Ų | 112.1 | 45% | 0.449 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -45 | 178 | -62.2 | -31.1 | 0 | 0 | 0 | 110.8 | K95 L97 N103 | K95-D99 WeakPolarHBondContact CE-OD2 3.48Å; K95-D99 PolarHBondContact O-N 3.27Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 2.89Å; D99-N103 PolarHBondContact O-N 3.39Å |
| 100 | Y | 87.4 | Confident | 83.6 | Confident | 163 Ų | 163 | 116 Ų | 116 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.9 | -48.3 | 174.5 | -91.9 | -63.5 | 0 | 0 | 0 | 112.7 | K96 L97 A102 N103 M104 | K96-Y100 HydrophobicContact CD-CE2 4.47Å; K96-Y100 HydrophobicContact CG-CD2 4.01Å; K96-Y100 HydrophobicContact CG-CE2 3.95Å; K96-Y100 VanDerWaalsContact O-CD2 3.24Å; K96-Y100 WeakPolarHBondContact O-CD2 2.98Å; K96-Y100 PolarHBondContact O-N 3.04Å; L97-Y100 PolarHBondContact O-N 3.24Å; Y100-A102 VanDerWaalsContact C-N 3.29Å; Y100-A102 PolarHBondContact O-N 3.43Å; Y100-N103 PolarHBondContact O-N 2.79Å; Y100-N103 VanDerWaalsContact O-N 3.14Å; Y100-M104 PolarHBondContact O-N 3.29Å |
| 101 | E | 84.8 | Confident | 82.7 | Confident | 69 Ų | 69 | 119.6 Ų | 119.6 | 32% | 0.322 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -33.6 | -179 | -68.4 | -177.7 | 143 | 0 | 0 | 112 | L97 Y98 N103 M104 R107 | L97-E101 VanDerWaalsContact CD2-CD 3.44Å; L97-E101 HydrophobicContact CD2-CG 4.07Å; L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.47Å; Y98-E101 PolarHBondContact O-N 3.33Å; E101-N103 VanDerWaalsContact C-N 3.29Å; E101-M104 PolarHBondContact O-N 2.96Å; E101-R107 VanDerWaalsContact CB-CZ 3.49Å; E101-R107 WeakPolarHBondContact O-CD 3.22Å; E101-R107 IonicContact OE1-NH2 2.69Å; E101-R107 IonicContact OE2-CZ 3Å; E101-R107 IonicContact OE2-NH1 2.65Å; E101-R107 PolarHBondContact OE2-NH1 2.95Å; E101-R107 IonicContact OE2-NH2 3.25Å; E101-R107 PolarHBondContact OE2-NH2 3.36Å |
| 102 | A | 83.9 | Confident | 81.6 | Confident | 80 Ų | 80 | 116.4 Ų | 116.4 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.2 | -26 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y98 Y100 M104 | Y98-A102 VanDerWaalsContact O-CB 3.24Å; Y98-A102 WeakPolarHBondContact O-CB 3.27Å; Y98-A102 PolarHBondContact O-N 2.85Å; Y100-A102 VanDerWaalsContact C-N 3.29Å; Y100-A102 PolarHBondContact O-N 3.43Å; A102-M104 VanDerWaalsContact C-N 3.29Å |
| 103 | N | 86.3 | Confident | 80.2 | Confident | 133 Ų | 133 | 119.1 Ų | 119.1 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 0.4 | 175.7 | -157.8 | 106.8 | 0 | 0 | 0 | 113 | D99 Y100 E101 P105 | D99-N103 PolarHBondContact O-N 3.39Å; Y100-N103 PolarHBondContact O-N 2.79Å; Y100-N103 VanDerWaalsContact O-N 3.14Å; E101-N103 VanDerWaalsContact C-N 3.29Å; N103-P105 WeakPolarHBondContact O-CD 3.31Å |
| 104 | M | 79.3 | Confident | 79.4 | Confident | 116 Ų | 116 | 118.1 Ų | 118.1 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | trans | -87.9 | 111.4 | 176.2 | -69 | -62.5 | -67.9 | 0 | 0 | 110.5 | Y100 E101 A102 D106 R107 | Y100-M104 PolarHBondContact O-N 3.29Å; E101-M104 PolarHBondContact O-N 2.96Å; A102-M104 VanDerWaalsContact C-N 3.29Å; M104-D106 PolarHBondContact O-N 3Å; M104-R107 HydrophobicContact CB-CB 4.08Å; M104-R107 WeakPolarHBondContact O-CB 3.43Å; M104-R107 PolarHBondContact O-N 3.03Å | ||
| 105 | P | 77.9 | Confident | 79 | Confident | 133 Ų | 133 | 119.3 Ų | 119.3 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -19.2 | -174.2 | 28.3 | -36.1 | 0 | 0 | 0 | 114 | N103 | N103-P105 WeakPolarHBondContact O-CD 3.31Š|
| 106 | D | 80.3 | Confident | 78.6 | Confident | 137 Ų | 137 | 116.5 Ų | 116.5 | 73% | 0.733 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -7.7 | 175.3 | -169.4 | 47 | 0 | 0 | 0 | 112.7 | M104 W108 | M104-D106 PolarHBondContact O-N 3Å; D106-W108 PolarHBondContact O-N 2.98Å |
| 107 | R | 77.3 | Confident | 78.2 | Confident | 113 Ų | 113 | 118 Ų | 118 | 43% | 0.426 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -73.3 | 122.9 | 174.3 | -173.7 | -174.9 | -172.8 | -171.4 | 19.4 | 109.2 | E101 M104 G109 | E101-R107 VanDerWaalsContact CB-CZ 3.49Å; E101-R107 WeakPolarHBondContact O-CD 3.22Å; E101-R107 IonicContact OE1-NH2 2.69Å; E101-R107 IonicContact OE2-CZ 3Å; E101-R107 IonicContact OE2-NH1 2.65Å; E101-R107 PolarHBondContact OE2-NH1 2.95Å; E101-R107 IonicContact OE2-NH2 3.25Å; E101-R107 PolarHBondContact OE2-NH2 3.36Å; M104-R107 HydrophobicContact CB-CB 4.08Å; M104-R107 WeakPolarHBondContact O-CB 3.43Å; M104-R107 PolarHBondContact O-N 3.03Å; R107-G109 VanDerWaalsContact C-N 3.27Å; R107-G109 PolarHBondContact O-N 2.88Å |
| 108 | W | 70 | Confident | 77.9 | Confident | 245 Ų | 245 | 118.8 Ų | 118.8 | 93% | 0.928 | 61% | 0.61 | S | S | * | * | trans | -67 | 85 | 171.7 | -60.7 | -2.6 | 0 | 0 | 0 | 110.6 | D106 | D106-W108 PolarHBondContact O-N 2.98Š| ||
| 109 | G | 69.3 | Low | 77.3 | Confident | 37 Ų | 37 | 119.9 Ų | 119.9 | 38% | 0.381 | 62% | 0.62 | S | S | . | * | trans | -76.6 | 168.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R107 S111 | R107-G109 VanDerWaalsContact C-N 3.27Å; R107-G109 PolarHBondContact O-N 2.88Å; G109-S111 PolarHBondContact O-N 3.49Å; G109-S111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | H | 64.1 | Low | 76.8 | Confident | 148 Ų | 148 | 119 Ų | 119 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -72 | 3.4 | 178.5 | -59 | 159.4 | 0 | 0 | 0 | 114.1 | G112 Y113 | H110-G112 PolarHBondContact O-N 3.42Å; H110-Y113 HydrophobicContact CB-CE1 3.58Å; H110-Y113 AromaticContact CD2-CE1 3.93Å; H110-Y113 AromaticContact CG-CE1 3.89Å |
| 111 | S | 66.4 | Low | 76 | Confident | 121 Ų | 121 | 118.1 Ų | 118.1 | 85% | 0.846 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -70.3 | -8.6 | 177.4 | 46.3 | 0 | 0 | 0 | 0 | 114.6 | G109 | G109-S111 PolarHBondContact O-N 3.49Å; G109-S111 VanDerWaalsContact O-N 3.09Å |
| 112 | G | 65.6 | Low | 75.1 | Confident | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -90 | -9.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | H110 | H110-G112 PolarHBondContact O-N 3.42Š|
| 113 | Y | 61.9 | Low | 73.9 | Confident | 125 Ų | 125 | 124.2 Ų | 124.2 | 49% | 0.49 | 64% | 0.635 | S | S | . | * | trans | -115.4 | 123.5 | 179.4 | 60.7 | -100.5 | 0 | 0 | 0 | 111.6 | H110 E115 | H110-Y113 HydrophobicContact CB-CE1 3.58Å; H110-Y113 AromaticContact CD2-CE1 3.93Å; H110-Y113 AromaticContact CG-CE1 3.89Å; Y113-E115 HydrophobicContact CD2-CG 3.74Å; Y113-E115 HydrophobicContact CE2-CG 3.65Å; Y113-E115 WeakPolarHBondContact CE2-OE1 3.35Å; Y113-E115 PolarHBondContact O-N 2.78Å | ||
| 114 | K | 75.5 | Confident | 72.6 | Confident | 143 Ų | 143 | 125 Ų | 125 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | trans | -75.6 | 119.1 | 159.9 | -174.2 | -173.8 | 171 | -158.4 | 0 | 106.7 | L116 E120 | K114-L116 HydrophobicContact CD-CD1 4.38Å; K114-L116 HydrophobicContact CD-CD2 3.98Å; K114-L116 HydrophobicContact CD-CG 3.82Å; K114-L116 HydrophobicContact CG-CG 4.11Å; K114-L116 VanDerWaalsContact NZ-CD2 3.28Å; K114-L116 PolarHBondContact O-N 2.75Å; K114-E120 WeakPolarHBondContact CE-OE2 3.49Å; K114-E120 IonicContact NZ-OE2 3.6Å; K114-E120 PolarHBondContact NZ-OE2 3.01Å | ||
| 115 | E | 82.8 | Confident | 71.5 | Confident | 113 Ų | 113 | 125.2 Ų | 125.2 | 53% | 0.528 | 65% | 0.652 | S | S | . | * | trans | -70.8 | 73.7 | 168.7 | -66.9 | -171 | 174.4 | 0 | 0 | 109.5 | Y113 Y117 | Y113-E115 HydrophobicContact CD2-CG 3.74Å; Y113-E115 HydrophobicContact CE2-CG 3.65Å; Y113-E115 WeakPolarHBondContact CE2-OE1 3.35Å; Y113-E115 PolarHBondContact O-N 2.78Å; E115-Y117 HydrophobicContact CB-CE2 4.21Å; E115-Y117 VanDerWaalsContact O-CD2 3.26Å; E115-Y117 WeakPolarHBondContact O-CD2 3.24Å; E115-Y117 PolarHBondContact O-N 2.67Å; E115-Y117 VanDerWaalsContact O-N 3.16Å; E115-Y117 PolarHBondContact OE2-OH 2.84Å | ||
| 116 | L | 82.7 | Confident | 70.4 | Confident | 73 Ų | 73 | 123.5 Ų | 123.5 | 38% | 0.382 | 64% | 0.643 | S | S | . | * | trans | -63.7 | 110.6 | 167.4 | -74.6 | 146.4 | 0 | 0 | 0 | 107.8 | K114 E120 F121 | K114-L116 HydrophobicContact CD-CD1 4.38Å; K114-L116 HydrophobicContact CD-CD2 3.98Å; K114-L116 HydrophobicContact CD-CG 3.82Å; K114-L116 HydrophobicContact CG-CG 4.11Å; K114-L116 VanDerWaalsContact NZ-CD2 3.28Å; K114-L116 PolarHBondContact O-N 2.75Å; L116-E120 HydrophobicContact CD2-CB 3.67Å; L116-F121 HydrophobicContact CB-CD2 4.36Å; L116-F121 HydrophobicContact CB-CE2 3.66Å; L116-F121 HydrophobicContact CB-CZ 3.93Å | ||
| 117 | Y | 84 | Confident | 69.2 | Low | 135 Ų | 135 | 123.3 Ų | 123.3 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | trans | -67.5 | 154.5 | 168 | -73.8 | -98.6 | 0 | 0 | 0 | 108.9 | E115 E119 E120 F121 | E115-Y117 HydrophobicContact CB-CE2 4.21Å; E115-Y117 VanDerWaalsContact O-CD2 3.26Å; E115-Y117 WeakPolarHBondContact O-CD2 3.24Å; E115-Y117 PolarHBondContact O-N 2.67Å; E115-Y117 VanDerWaalsContact O-N 3.16Å; E115-Y117 PolarHBondContact OE2-OH 2.84Å; Y117-E119 PolarHBondContact O-N 3.07Å; Y117-E120 PolarHBondContact N-OE1 3.46Å; Y117-E120 VanDerWaalsContact N-OE1 3.1Å; Y117-E120 WeakPolarHBondContact O-CB 3.41Å; Y117-E120 PolarHBondContact O-N 3.32Å; Y117-F121 WeakPolarHBondContact O-CD2 2.82Å | ||
| 118 | P | 84.4 | Confident | 67.9 | Low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -51.2 | -29 | 177.8 | -29.9 | 37.2 | 0 | 0 | 0 | 114 | E120 F121 | P118-E120 VanDerWaalsContact C-N 3.27Å; P118-E120 PolarHBondContact O-N 2.99Å; P118-F121 PolarHBondContact O-N 3.46Å |
| 119 | E | 72.3 | Confident | 67 | Low | 169 Ų | 169 | 122.7 Ų | 122.7 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -64.8 | -23.6 | 176.1 | -62.8 | 167.8 | -175.7 | 0 | 0 | 113.7 | Y117 T123 | Y117-E119 PolarHBondContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.13Å |
| 120 | E | 77.1 | Confident | 65.7 | Low | 65 Ų | 65 | 127.3 Ų | 127.3 | 30% | 0.304 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -89.8 | -6.6 | -179.4 | -63.6 | -179.7 | -112.2 | 0 | 0 | 114.1 | K114 L116 Y117 P118 | K114-E120 WeakPolarHBondContact CE-OE2 3.49Å; K114-E120 IonicContact NZ-OE2 3.6Å; K114-E120 PolarHBondContact NZ-OE2 3.01Å; L116-E120 HydrophobicContact CD2-CB 3.67Å; Y117-E120 PolarHBondContact N-OE1 3.46Å; Y117-E120 VanDerWaalsContact N-OE1 3.1Å; Y117-E120 WeakPolarHBondContact O-CB 3.41Å; Y117-E120 PolarHBondContact O-N 3.32Å; P118-E120 VanDerWaalsContact C-N 3.27Å; P118-E120 PolarHBondContact O-N 2.99Å |
| 121 | F | 69.5 | Low | 65 | Low | 144 Ų | 144 | 127 Ų | 127 | 63% | 0.632 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -79.5 | -20.2 | -177.4 | -77.8 | -96.9 | 0 | 0 | 0 | 113.7 | L116 Y117 P118 | L116-F121 HydrophobicContact CB-CD2 4.36Å; L116-F121 HydrophobicContact CB-CE2 3.66Å; L116-F121 HydrophobicContact CB-CZ 3.93Å; Y117-F121 WeakPolarHBondContact O-CD2 2.82Å; P118-F121 PolarHBondContact O-N 3.46Å |
| 122 | E | 67 | Low | 63.8 | Low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -101.1 | -13.6 | -176 | -61.9 | -177.3 | 178.2 | 0 | 0 | 112.5 | ||
| 123 | T | 59.3 | Low | 62.3 | Low | 103 Ų | 103 | 130.4 Ų | 130.4 | 63% | 0.632 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -81.3 | -26.2 | -170.6 | -9.9 | 0 | 0 | 0 | 0 | 114.6 | E119 | E119-T123 PolarHBondContact O-OG1 3.13Š|
| 124 | D | 58 | Low | 61.1 | Low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -85.5 | -6 | -172.8 | -157.7 | 34.5 | 0 | 0 | 0 | 113.4 | S126 | D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 2.77Å |
| 125 | S | 55.8 | Low | 59.6 | Low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -86.5 | 4.4 | -174.7 | -168.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 126 | S | 56 | Low | 57.8 | Low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -114.9 | -35.5 | -170.7 | -166.2 | 0 | 0 | 0 | 0 | 115.3 | D124 | D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 2.77Å |
| 127 | D | 53.6 | Low | 55.7 | Low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | -126.2 | 60.3 | -169.1 | -77.5 | -59.9 | 0 | 0 | 0 | 113.2 | Q129 | D127-Q129 PolarHBondContact O-N 3.39Å; D127-Q129 VanDerWaalsContact O-N 3.17Å | ||
| 128 | Q | 51.5 | Low | 53.9 | Low | 189 Ų | 189 | 135.7 Ų | 135.7 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -84.2 | 64.4 | 158.8 | -169.4 | 160.9 | 57.7 | 0 | 0 | 110.4 | ||||
| 129 | Q | 50.4 | Low | 52.1 | Low | 156 Ų | 156 | 136.7 Ų | 136.7 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | -133.6 | 146.7 | 168.6 | -68.5 | -66.6 | -19 | 0 | 0 | 110.3 | D127 | D127-Q129 PolarHBondContact O-N 3.39Å; D127-Q129 VanDerWaalsContact O-N 3.17Å | ||
| 130 | D | 41.8 | Very low | 50.5 | Low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | 57.2 | 91.4 | 162.2 | -64.6 | -26.9 | 0 | 0 | 0 | 122.5 | ||||
| 131 | I | 48.9 | Very low | 48.7 | Very low | 141 Ų | 141 | 139 Ų | 139 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | 23.7 | 128.3 | 125.9 | 40.7 | 160.7 | 0 | 0 | 0 | 121.8 | |||||
| 132 | T | 42.2 | Very low | 47.6 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | 87.6 | 135.5 | 139.8 | 63.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 133 | N | 34.3 | Very low | 46.3 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 60.2 | 70.9 | 140 | -64.7 | -30 | 0 | 0 | 0 | 121.8 | ||||
| 134 | G | 36.9 | Very low | 45.3 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | 70.7 | 153.2 | 116.1 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 135 | K | 42.4 | Very low | 44.2 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 68.1 | 102 | 166.3 | -66.3 | 177.1 | 178.8 | 169.4 | 0 | 118.8 | ||||
| 136 | K | 46.2 | Very low | 43.4 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | 71 | 155.4 | 154.3 | -43.6 | 168.1 | -176.2 | -178.7 | 0 | 113.1 | ||||
| 137 | T | 38.1 | Very low | 42.5 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | cis | -139 | 170.3 | 19 | 43.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 138 | S | 47.1 | Very low | 42.1 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 151.1 | 163.2 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 139 | P | 45.7 | Very low | 41.6 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 169.4 | 154.6 | -5.9 | 26.3 | 0 | 0 | 0 | 112.8 | ||
| 140 | Q | 39.8 | Very low | 41.5 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 131.1 | -175.8 | -102.7 | -174.1 | -24.5 | 0 | 0 | 113.4 | ||
| 141 | V | 38.1 | Very low | 41.9 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | 54.8 | 129.8 | 120.9 | 175.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 142 | K | 46.7 | Very low | 42.3 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | trans | 79.1 | 146.5 | 169.3 | -68.9 | 153.8 | -165.7 | 169.8 | 0 | 115.1 | ||||
| 143 | S | 40.1 | Very low | 43.1 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | cis | -159.9 | 164.4 | 2.7 | 45 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 144 | S | 38.3 | Very low | 43.9 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | 48 | 125.4 | 145.9 | -157.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 145 | T | 34.6 | Very low | 44.8 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | -166.6 | 156.1 | 65.2 | -61.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 146 | H | 38.5 | Very low | 45.6 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -54.7 | 131.5 | 175.5 | 158.6 | -70.2 | 0 | 0 | 0 | 114.7 | S148 | H146-S148 PolarHBondContact NE2-OG 3.35Š| ||
| 147 | E | 38.4 | Very low | 46 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | -143.6 | 140.5 | 145.5 | -113.4 | -83.6 | 45.4 | 0 | 0 | 108.9 | H149 | E147-H149 IonicContact OE1-CE1 3.39Å; E147-H149 IonicContact OE1-ND1 3.53Å; E147-H149 PolarHBondContact OE1-ND1 2.96Å; E147-H149 IonicContact OE2-CE1 3.92Å; E147-H149 PolarHBondContact OE2-CE1 3.42Å; E147-H149 IonicContact OE2-ND1 2.9Å; E147-H149 PolarHBondContact OE2-ND1 3.39Å; E147-H149 IonicContact OE2-NE2 2.56Å | ||
| 148 | S | 44.3 | Very low | 46.5 | Very low | 49 Ų | 49 | 145.2 Ų | 145.2 | 34% | 0.343 | 75% | 0.75 | S | S | . | * | trans | -135.5 | 64.2 | -171.4 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | H146 K150 | H146-S148 PolarHBondContact NE2-OG 3.35Å; S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 WeakPolarHBondContact O-CG 3.27Å; S148-K150 PolarHBondContact O-N 3.47Å | ||
| 149 | H | 40.7 | Very low | 46.8 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 63% | 0.63 | 75% | 0.749 | S | S | * | * | trans | -65.2 | 79.8 | 179.6 | -87.1 | 26.2 | 0 | 0 | 0 | 113.6 | E147 H151 | E147-H149 IonicContact OE1-CE1 3.39Å; E147-H149 IonicContact OE1-ND1 3.53Å; E147-H149 PolarHBondContact OE1-ND1 2.96Å; E147-H149 IonicContact OE2-CE1 3.92Å; E147-H149 PolarHBondContact OE2-CE1 3.42Å; E147-H149 IonicContact OE2-ND1 2.9Å; E147-H149 PolarHBondContact OE2-ND1 3.39Å; E147-H149 IonicContact OE2-NE2 2.56Å; H149-H151 PolarHBondContact O-N 3.26Å | ||
| 150 | K | 47.8 | Very low | 47.2 | Very low | 170 Ų | 170 | 152 Ų | 152 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | -71.8 | 79.4 | -178.8 | -70.9 | 151.6 | -175.2 | 154.4 | 0 | 112.8 | S148 K152 | S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 WeakPolarHBondContact O-CG 3.27Å; S148-K150 PolarHBondContact O-N 3.47Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.26Å | ||
| 151 | H | 50.4 | Low | 48 | Very low | 154 Ų | 154 | 153.2 Ų | 153.2 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -71.1 | 80.2 | 173.9 | -71.4 | -55 | 0 | 0 | 0 | 113.6 | H149 K153 | H149-H151 PolarHBondContact O-N 3.26Å; H151-K153 PolarHBondContact O-N 3.11Å; H151-K153 VanDerWaalsContact O-N 3.13Å | ||
| 152 | K | 58.7 | Low | 48.9 | Very low | 202 Ų | 202 | 156.6 Ų | 156.6 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | trans | -58.3 | 109.6 | 164.8 | -73.2 | 177.7 | 177.6 | 172.6 | 0 | 110.5 | K150 | K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.26Å | ||
| 153 | K | 57.2 | Low | 49.1 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -128.1 | 92.7 | 164.4 | -72.3 | -173.8 | 178.4 | 173 | 0 | 112.3 | H151 | H151-K153 PolarHBondContact O-N 3.11Å; H151-K153 VanDerWaalsContact O-N 3.13Å | ||
| 154 | S | 51.5 | Low | 49.8 | Very low | 110 Ų | 110 | 161.4 Ų | 161.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 30.5 | 116.7 | 154.6 | 59 | 0 | 0 | 0 | 0 | 120.3 | K156 | S154-K156 PolarHBondContact O-N 2.83Š| ||
| 155 | K | 56.4 | Low | 50.3 | Low | 214 Ų | 214 | 168 Ų | 168 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -57.6 | 129.3 | 157 | -62.6 | 174.4 | -179.6 | 175.5 | 0 | 109.9 | ||||
| 156 | K | 60 | Low | 50.8 | Low | 212 Ų | 212 | 165.8 Ų | 165.8 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | trans | -117.4 | 107 | 169.8 | -166.9 | 167.8 | -173.9 | 172 | 0 | 111 | S154 | S154-K156 PolarHBondContact O-N 2.83Š| ||
| 157 | S | 54.5 | Low | 51.2 | Low | 104 Ų | 104 | 167.2 Ų | 167.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -107.7 | 112.6 | -170.9 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 158 | H | 47.9 | Very low | 51.9 | Low | 178 Ų | 178 | 169.9 Ų | 169.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -173.8 | 154.8 | 159.4 | -110.2 | -55.2 | 0 | 0 | 0 | 108.9 | ||||
| 159 | K | 54.5 | Low | 52.1 | Low | 172 Ų | 172 | 177.1 Ų | 177.1 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | cis | -148.8 | 114.6 | -1 | -172.7 | 163.3 | -174.3 | 167 | 0 | 109.6 | K161 | K159-K161 PolarHBondContact O-N 3.03Š| ||
| 160 | K | 53.9 | Low | 52.4 | Low | 207 Ų | 207 | 178.8 Ų | 178.8 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -71.1 | 87.3 | 179.6 | -168 | 172.8 | -173.7 | 172.3 | 0 | 111 | Q162 | K160-Q162 PolarHBondContact O-N 3.36Š| ||
| 161 | K | 54.7 | Low | 52.4 | Low | 203 Ų | 203 | 178.9 Ų | 178.9 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -71.2 | 111.4 | -178.4 | -165.7 | 173.7 | -175.8 | 178.5 | 0 | 110.4 | K159 | K159-K161 PolarHBondContact O-N 3.03Š| ||
| 162 | Q | 57.3 | Low | 52.1 | Low | 176 Ų | 176 | 180.3 Ų | 180.3 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | trans | -72.4 | 161.5 | -177.6 | -70.9 | -165.6 | -3.2 | 0 | 0 | 113.5 | K160 | K160-Q162 PolarHBondContact O-N 3.36Š| ||
| 163 | K | 51.8 | Low | 51.1 | Low | 193 Ų | 193 | 175.6 Ų | 175.6 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -52.9 | 141.2 | 172.9 | -60.3 | 171.5 | 179.7 | 174 | 0 | 111.4 | ||||
| 164 | K | 53.4 | Low | 50.4 | Low | 209 Ų | 209 | 174.7 Ų | 174.7 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -110.4 | 114.4 | 145 | -79 | -161.2 | 172.4 | -172 | 0 | 108.9 | ||||
| 165 | R | 50.3 | Low | 50.1 | Low | 241 Ų | 241 | 177.7 Ų | 177.7 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -120.9 | 107.9 | 177.3 | 176.7 | -165.1 | -170.2 | -163.4 | 6.8 | 105.9 | ||||
| 166 | S | 44.5 | Very low | 49 | Very low | 80 Ų | 80 | 174 Ų | 174 | 56% | 0.559 | 80% | 0.798 | S | S | * | * | trans | -149.8 | 113.6 | -165.9 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 167 | H | 48 | Very low | 48.1 | Very low | 179 Ų | 179 | 167.1 Ų | 167.1 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | 51.7 | 127 | 155.6 | -40.4 | -59.8 | 0 | 0 | 0 | 117.5 | ||||
| 168 | K | 51.8 | Low | 47.1 | Very low | 194 Ų | 194 | 168.2 Ų | 168.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | cis | 54.4 | 84.6 | 26.3 | -165.2 | 175.7 | -179.6 | 174.6 | 0 | 115.2 | ||||
| 169 | K | 49.8 | Very low | 46.4 | Very low | 201 Ų | 201 | 165.4 Ų | 165.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | -163.3 | 144.2 | 125.6 | -109.6 | 172.5 | -176.8 | 179.8 | 0 | 111.3 | |||||
| 170 | Q | 45.4 | Very low | 45.7 | Very low | 172 Ų | 172 | 164.8 Ų | 164.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -72.6 | 163.4 | 154.5 | -63.2 | 174.6 | -24.4 | 0 | 0 | 107.6 | ||||
| 171 | K | 47.6 | Very low | 44.5 | Very low | 172 Ų | 172 | 161.2 Ų | 161.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 171 | 154.6 | 66.2 | -153.9 | -176.9 | -173.7 | 174.6 | 0 | 108.8 | |||||
| 172 | K | 45.8 | Very low | 43.6 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | 62.6 | 164.1 | 163.6 | -79.3 | -169.3 | 174 | -167.1 | 0 | 115.7 | ||||
| 173 | S | 37.2 | Very low | 42.2 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | -171.6 | 146.6 | -30.5 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 174 | K | 41.1 | Very low | 41.4 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -132.2 | 147.3 | 153.9 | -154.2 | -166.4 | 172.8 | -146.9 | 0 | 109.6 | E176 | K174-E176 IonicContact NZ-OE1 3.46Å; K174-E176 PolarHBondContact NZ-OE1 3.32Å; K174-E176 IonicContact NZ-OE2 2.67Å; K174-E176 PolarHBondContact NZ-OE2 3.08Å | ||
| 175 | K | 46.1 | Very low | 40.4 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -136.2 | 133.5 | 175.9 | -179.7 | -164.8 | 177.9 | -153.6 | 0 | 106.2 | ||||
| 176 | E | 33.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -104.6 | 132.2 | 154.1 | -105.3 | 98.6 | -164 | 0 | 0 | 104.9 | K174 | K174-E176 IonicContact NZ-OE1 3.46Å; K174-E176 PolarHBondContact NZ-OE1 3.32Å; K174-E176 IonicContact NZ-OE2 2.67Å; K174-E176 PolarHBondContact NZ-OE2 3.08Å | ||
| 177 | A | 40.7 | Very low | 38.9 | Very low | 69 Ų | 69 | 144.7 Ų | 144.7 | 57% | 0.57 | 76% | 0.764 | S | S | * | * | 63.5 | 126.2 | 74.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 178 | T | 34.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -110.5 | -177.4 | -4.6 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 179 | D | 32.5 | Very low | 37.2 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | 78.5 | 149.8 | 9.4 | -38.7 | -65.9 | 0 | 0 | 0 | 113.7 | ||||
| 180 | I | 38.8 | Very low | 36.7 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 82% | 0.821 | 74% | 0.738 | S | S | * | * | cis | -101.7 | -120.8 | 9 | -35.9 | 178.1 | 0 | 0 | 0 | 111.7 | ||||
| 181 | T | 29.9 | Very low | 36.2 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | cis | -149 | -154.5 | 3.8 | -36.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 182 | A | 34.9 | Very low | 35.5 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | -148.3 | 150.4 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 183 | D | 28.1 | Very low | 34.8 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -161.2 | 171.2 | 138.5 | -164.9 | 11.5 | 0 | 0 | 0 | 109.6 | ||||
| 184 | S | 36.1 | Very low | 34.6 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | -154.8 | 132.4 | -170.2 | -64.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 185 | S | 31.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -166.3 | 121.5 | 155.9 | -143.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 186 | S | 32.7 | Very low | 33.8 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | 72.8 | 130.1 | 96.2 | -48.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 187 | E | 30.4 | Very low | 34 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -144.2 | 164.5 | 7.2 | -77.8 | -142.6 | 76 | 0 | 0 | 111.3 | ||||
| 188 | F | 28.1 | Very low | 33.9 | Very low | 178 Ų | 178 | 129 Ų | 129 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | 46.3 | 132.8 | 93.9 | -141.8 | -122.6 | 0 | 0 | 0 | 115.7 | |||||
| 189 | S | 37.6 | Very low | 34.1 | Very low | 64 Ų | 64 | 132.2 Ų | 132.2 | 45% | 0.448 | 77% | 0.77 | S | S | . | * | cis | -155.5 | 176.7 | -0.8 | -158.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 190 | E | 38.7 | Very low | 34.4 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | 60.6 | 158.9 | 158.9 | -79 | 130.1 | -111.7 | 0 | 0 | 118.8 | ||||
| 191 | E | 33.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | cis | -140.3 | 143.7 | 14.9 | -176.6 | -176.5 | 95.4 | 0 | 0 | 112.9 | ||||
| 192 | T | 34 | Very low | 35.4 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | 60.8 | 141.8 | 162.3 | 58.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 193 | G | 29.9 | Very low | 36.1 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | 131.4 | 14.8 | 101.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 194 | A | 32.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 144.8 Ų | 144.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 12.5 | 147.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 195 | S | 35.1 | Very low | 37.2 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 92% | 0.923 | 79% | 0.791 | S | S | * | * | trans | 80.4 | 139.8 | 158.9 | 86 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 196 | G | 36.4 | Very low | 37.9 | Very low | 72 Ų | 72 | 155.8 Ų | 155.8 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -143.1 | 142.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | T | 36.6 | Very low | 38.5 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -146.4 | 122.2 | 169.4 | 39.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 198 | R | 40.2 | Very low | 39.6 | Very low | 227 Ų | 227 | 162.2 Ų | 162.2 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | 74.9 | 155.2 | 137.5 | -59.2 | 167.3 | 172.8 | -176 | -3.9 | 120.3 | ||||
| 199 | K | 38.8 | Very low | 40.7 | Very low | 194 Ų | 194 | 163.6 Ų | 163.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 72 | 70.1 | 160.8 | -52 | -152.5 | 178.9 | -178.9 | 0 | 119.7 | K201 | K199-K201 PolarHBondContact O-N 3.14Š| ||
| 200 | R | 38.7 | Very low | 40.8 | Very low | 256 Ų | 256 | 166.1 Ų | 166.1 | 97% | 0.966 | 84% | 0.835 | S | S | * | * | trans | -63.6 | 112.2 | 158.3 | -174.7 | -179.9 | -174.3 | -179.2 | 3.5 | 111.4 | ||||
| 201 | K | 43.4 | Very low | 41.4 | Very low | 195 Ų | 195 | 170.2 Ų | 170.2 | 85% | 0.848 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 160.3 | 170.5 | -75.3 | -174.5 | 176.7 | 178.8 | 0 | 112 | K199 | K199-K201 PolarHBondContact O-N 3.14Š|
| 202 | Q | 46.8 | Very low | 41.8 | Very low | 179 Ų | 179 | 172.4 Ų | 172.4 | 84% | 0.836 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -81 | 138.8 | 180 | -72.5 | -79.6 | -7.7 | 0 | 0 | 112.3 | ||
| 203 | P | 48.5 | Very low | 42.8 | Very low | 114 Ų | 114 | 176.3 Ų | 176.3 | 74% | 0.74 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 147.4 | 171.1 | 33 | -33.1 | 0 | 0 | 0 | 113 | ||
| 204 | H | 38.5 | Very low | 43.8 | Very low | 188 Ų | 188 | 178 Ų | 178 | 87% | 0.87 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 145.8 | -174.6 | -85.3 | -116.1 | 0 | 0 | 0 | 114.9 | ||
| 205 | K | 48 | Very low | 44.3 | Very low | 205 Ų | 205 | 180.8 Ų | 180.8 | 89% | 0.891 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 118.6 | 167.3 | -64 | 179.7 | -179.3 | 178.1 | 0 | 110.8 | ||
| 206 | R | 46.7 | Very low | 44.5 | Very low | 244 Ų | 244 | 184.3 Ų | 184.3 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 118.1 | 173.4 | -64.4 | 176.2 | 78.8 | -179.7 | 5.5 | 110.7 | ||
| 207 | K | 45 | Very low | 44.9 | Very low | 200 Ų | 200 | 189.7 Ų | 189.7 | 87% | 0.87 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 135 | 168.4 | -70 | -175.6 | 177.4 | -178.9 | 0 | 110 | ||
| 208 | K | 53.3 | Low | 45.3 | Very low | 215 Ų | 215 | 189.7 Ų | 189.7 | 94% | 0.935 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -78 | 137.2 | 166.6 | -67.4 | -176.2 | 177.8 | -178.4 | 0 | 109.4 | ||
| 209 | K | 51.6 | Low | 44.8 | Very low | 207 Ų | 207 | 182.9 Ų | 182.9 | 90% | 0.9 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 139.4 | 169.1 | -75.9 | -172.8 | 175.8 | -177.2 | 0 | 109.7 | ||
| 210 | S | 40.8 | Very low | 44.7 | Very low | 117 Ų | 117 | 181 Ų | 181 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 151.4 | 169.3 | 47.1 | 0 | 0 | 0 | 0 | 111 | ||
| 211 | R | 50.7 | Low | 44.3 | Very low | 250 Ų | 250 | 178.7 Ų | 178.7 | 94% | 0.943 | 85% | 0.85 | S | S | * | * | trans | -110.2 | 115.4 | 169.3 | -63.3 | 178.3 | 86.9 | 163.4 | 4.5 | 108.1 | ||||
| 212 | K | 43.1 | Very low | 43.9 | Very low | 210 Ų | 210 | 176.9 Ų | 176.9 | 91% | 0.913 | 85% | 0.848 | S | S | * | * | trans | -75.4 | 156 | 162.4 | -71.9 | -173.2 | 175.6 | -175.3 | 0 | 108.9 | ||||
| 213 | K | 54.5 | Low | 43 | Very low | 213 Ų | 213 | 177 Ų | 177 | 93% | 0.926 | 85% | 0.849 | S | S | * | * | trans | -132.1 | 125.3 | 174.3 | -147 | 176.2 | -175.7 | -174.9 | 0 | 109.3 | ||||
| 214 | S | 49.5 | Very low | 42.3 | Very low | 105 Ų | 105 | 175.8 Ų | 175.8 | 73% | 0.734 | 85% | 0.848 | S | S | * | * | trans | -103.8 | 171.5 | 172.7 | 46.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 215 | L | 43.7 | Very low | 42 | Very low | 153 Ų | 153 | 175.8 Ų | 175.8 | 80% | 0.801 | 85% | 0.849 | S | S | * | * | cis | -160.5 | 156.6 | -6.3 | -125.7 | 166.7 | 0 | 0 | 0 | 106.6 | ||||
| 216 | K | 39.3 | Very low | 41.1 | Very low | 205 Ų | 205 | 169 Ų | 169 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | trans | -173.1 | 146.9 | 148.2 | -107 | 164.5 | -175.1 | -172 | 0 | 111.9 | ||||
| 217 | K | 45.3 | Very low | 40.3 | Very low | 186 Ų | 186 | 165.2 Ų | 165.2 | 81% | 0.809 | 84% | 0.835 | S | S | * | * | trans | -140.7 | 156 | 168.2 | -82.5 | -167.3 | 175 | -171 | 0 | 107.4 | ||||
| 218 | P | 45.3 | Very low | 39.7 | Very low | 120 Ų | 120 | 162.2 Ų | 162.2 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | -109.2 | 160.1 | 102.5 | -12.1 | 31.4 | 0 | 0 | 0 | 112.1 | |||||
| 219 | A | 30.2 | Very low | 38.9 | Very low | 84 Ų | 84 | 156 Ų | 156 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | 62.7 | 135.4 | 74 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 220 | L | 36 | Very low | 38.2 | Very low | 154 Ų | 154 | 154 Ų | 154 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | cis | -164.3 | 151.1 | -6.6 | -113.4 | 172.1 | 0 | 0 | 0 | 107.5 | ||||
| 221 | F | 30.2 | Very low | 37.9 | Very low | 209 Ų | 209 | 152.3 Ų | 152.3 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -179.5 | 172.8 | 145.9 | -108.4 | -71.4 | 0 | 0 | 0 | 111.4 | ||||
| 222 | L | 34.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -134.5 | 176.7 | -166 | -102.2 | 158.7 | 0 | 0 | 0 | 111.9 | ||||
| 223 | E | 28.1 | Very low | 36.9 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 104.7 | 128 | -179.1 | -63.4 | -175.7 | 151.4 | 0 | 0 | 113.8 | ||||
| 224 | A | 32.7 | Very low | 36.4 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | 81.2 | 135.5 | 45.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 225 | E | 33.3 | Very low | 35.9 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | cis | -156.2 | 171.3 | -4.6 | -88.6 | -111.3 | 121.7 | 0 | 0 | 108.7 | ||||
| 226 | G | 29 | Very low | 35.3 | Very low | 63 Ų | 63 | 136 Ų | 136 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | 76 | 164.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 227 | N | 30.4 | Very low | 35 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | cis | -151.5 | 174.7 | 4.6 | -76.2 | -38.6 | 0 | 0 | 0 | 112.1 | ||||
| 228 | T | 31.8 | Very low | 34.3 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -144.9 | 168.4 | -170.1 | -13.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 229 | S | 35.9 | Very low | 33.6 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | cis | -157.8 | 179.3 | 16.3 | -63.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 230 | H | 36.7 | Very low | 33.7 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 71.4 | 148.4 | 158.3 | -66.1 | -63.7 | 0 | 0 | 0 | 117.4 | ||||
| 231 | S | 34.3 | Very low | 33.5 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 57% | 0.566 | 78% | 0.777 | S | S | * | * | cis | 84.9 | 153.5 | 26 | 89.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 232 | D | 37.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | -148.2 | 174.7 | 18.6 | -89.6 | -58.4 | 0 | 0 | 0 | 114.7 | ||||
| 233 | D | 36.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 63.9 | 132.7 | 143.9 | -94.3 | -51.3 | 0 | 0 | 0 | 127.9 | ||||
| 234 | S | 43.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | 37.4 | 150.5 | 123.7 | -63 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 235 | A | 37.5 | Very low | 33.8 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -172 | 174.3 | -10.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 236 | S | 32.7 | Very low | 33.7 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 91.1 | 115.1 | 150.9 | -150.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 237 | S | 32.7 | Very low | 34 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 46.2 | 115.7 | 131.8 | -166.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 238 | S | 29.4 | Very low | 34.4 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -168.1 | 126.9 | 137.6 | -163.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 239 | S | 31.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | 82.8 | 147.1 | 61.8 | -152.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 240 | E | 33.5 | Very low | 34.9 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 83.5 | 152.6 | 168 | -49.8 | -164.7 | 162.1 | 0 | 0 | 119.7 | ||||
| 241 | E | 31.8 | Very low | 35.1 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -100.4 | 158.4 | -171.7 | -59.8 | -167.6 | 119.3 | 0 | 0 | 112.8 | ||||
| 242 | S | 32.4 | Very low | 35.5 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -158.4 | 141.4 | 153.8 | -73 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 243 | E | 32.8 | Very low | 35.8 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -82.1 | -168.9 | 169.2 | -66 | -163.2 | 101.8 | 0 | 0 | 112.3 | ||||
| 244 | E | 32.3 | Very low | 36 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | 94.8 | 152.9 | 160.1 | -158.4 | 151.5 | -140.3 | 0 | 0 | 117.9 | ||||
| 245 | R | 33.8 | Very low | 35.8 | Very low | 220 Ų | 220 | 163.7 Ų | 163.7 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -99.1 | 143.5 | -165.2 | -45.8 | 127.9 | 176.2 | 170 | 0.7 | 108.2 | ||||
| 246 | D | 30.9 | Very low | 35.7 | Very low | 140 Ų | 140 | 165.8 Ų | 165.8 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | -151.3 | 157.8 | 126.1 | -141 | -36.5 | 0 | 0 | 0 | 113.4 | |||||
| 247 | T | 35.2 | Very low | 36.1 | Very low | 88 Ų | 88 | 169.8 Ų | 169.8 | 54% | 0.54 | 82% | 0.815 | S | S | . | * | trans | -40.9 | 148.4 | 169.2 | 57.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 248 | K | 38.4 | Very low | 36.4 | Very low | 190 Ų | 190 | 173.9 Ų | 173.9 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | -153.8 | 126.8 | 110.5 | -98.1 | 126.7 | -155.4 | 152.7 | 0 | 113.2 | |||||
| 249 | K | 39.9 | Very low | 36.7 | Very low | 196 Ų | 196 | 174.6 Ų | 174.6 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -75.9 | 124 | 174.5 | -62.1 | 167.7 | -177.3 | 168.1 | 0 | 109.4 | ||||
| 250 | T | 39.2 | Very low | 36.8 | Very low | 128 Ų | 128 | 178.5 Ų | 178.5 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -119.4 | 94.1 | 168.3 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | R252 | T250-R252 PolarHBondContact O-N 3.3Š| ||
| 251 | K | 41.8 | Very low | 37 | Very low | 208 Ų | 208 | 174.4 Ų | 174.4 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.1 | 172.9 | -67.8 | 178.4 | 178 | 177.4 | 0 | 109.7 | ||
| 252 | R | 41.8 | Very low | 37.5 | Very low | 240 Ų | 240 | 171 Ų | 171 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 128.2 | 167.4 | -87.4 | -174.2 | 162.1 | 176.7 | -4 | 111.7 | T250 K254 | T250-R252 PolarHBondContact O-N 3.3Å; R252-K254 PolarHBondContact O-N 3.28Å |
| 253 | K | 44.4 | Very low | 37.6 | Very low | 207 Ų | 207 | 171.4 Ų | 171.4 | 90% | 0.9 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 123.5 | -171 | -92.7 | 172.7 | 169.4 | 169.3 | 0 | 114 | R255 | K253-R255 PolarHBondContact O-N 3.11Š|
| 254 | K | 41 | Very low | 37.6 | Very low | 172 Ų | 172 | 166.6 Ų | 166.6 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 126.2 | 150.1 | -170.7 | -169.6 | -170.1 | -165.1 | 0 | 107.6 | R252 E256 | R252-K254 PolarHBondContact O-N 3.28Å; K254-E256 HydrophobicContact CD-CG 3.91Å; K254-E256 WeakPolarHBondContact CD-OE1 3.29Å; K254-E256 WeakPolarHBondContact CE-OE1 3.42Å; K254-E256 HydrophobicContact CG-CG 4.01Å; K254-E256 IonicContact NZ-OE1 3.22Å; K254-E256 PolarHBondContact NZ-OE1 3.03Å |
| 255 | R | 38.5 | Very low | 37.9 | Very low | 241 Ų | 241 | 166.3 Ų | 166.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -120.8 | 100.3 | 171.6 | -158.3 | 176.7 | -169.4 | -174.6 | 2.9 | 108.6 | K253 | K253-R255 PolarHBondContact O-N 3.11Š| ||
| 256 | E | 35.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 161.1 Ų | 161.1 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 131.8 | -170.8 | -59.9 | 177.1 | 150.2 | 0 | 0 | 110.9 | K254 | K254-E256 HydrophobicContact CD-CG 3.91Å; K254-E256 WeakPolarHBondContact CD-OE1 3.29Å; K254-E256 WeakPolarHBondContact CE-OE1 3.42Å; K254-E256 HydrophobicContact CG-CG 4.01Å; K254-E256 IonicContact NZ-OE1 3.22Å; K254-E256 PolarHBondContact NZ-OE1 3.03Å | ||
| 257 | K | 40.7 | Very low | 38.3 | Very low | 201 Ų | 201 | 162.4 Ų | 162.4 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 115.3 | 164.4 | -70.6 | -176.4 | 177.7 | -179.4 | 0 | 107.3 | V259 | K257-V259 PolarHBondContact O-N 3.46Š| ||
| 258 | K | 39.7 | Very low | 38.9 | Very low | 204 Ų | 204 | 164.9 Ų | 164.9 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -65.6 | 121.6 | 173.6 | -68.7 | -170.5 | 175.3 | -171.6 | 0 | 109.1 | ||||
| 259 | V | 34.6 | Very low | 39.1 | Very low | 123 Ų | 123 | 162.6 Ų | 162.6 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -74.7 | 138.9 | 163.4 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | K257 | K257-V259 PolarHBondContact O-N 3.46Š| ||
| 260 | H | 33.4 | Very low | 39.3 | Very low | 184 Ų | 184 | 162 Ų | 162 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -121.3 | 103.1 | 167.4 | -134.8 | -50.2 | 0 | 0 | 0 | 108.8 | ||||
| 261 | T | 39.2 | Very low | 39.7 | Very low | 101 Ų | 101 | 165.8 Ų | 165.8 | 62% | 0.62 | 80% | 0.801 | S | S | * | * | trans | -97.2 | 133.6 | 171.3 | -33.4 | 0 | 0 | 0 | 0 | 108.5 | V263 | T261-V263 HydrophobicContact CG2-CG2 3.91Š| ||
| 262 | P | 41.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 160.4 Ų | 160.4 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -107.4 | 128.5 | 150.2 | 32.6 | -24.8 | 0 | 0 | 0 | 109.4 | ||||
| 263 | V | 34.8 | Very low | 40.6 | Very low | 132 Ų | 132 | 157.1 Ų | 157.1 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -113.3 | 115 | 170.1 | 175.6 | 0 | 0 | 0 | 0 | 107.9 | T261 | T261-V263 HydrophobicContact CG2-CG2 3.91Š| ||
| 264 | A | 32.1 | Very low | 41.3 | Very low | 95 Ų | 95 | 155.3 Ų | 155.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -159.5 | 148.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 265 | N | 38.4 | Very low | 41.7 | Very low | 166 Ų | 166 | 157.6 Ų | 157.6 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -94.1 | 135.1 | -174.1 | -62.9 | -58.8 | 0 | 0 | 0 | 112.7 | ||||
| 266 | S | 35.4 | Very low | 43 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -158.3 | 114 | 144.3 | 42.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 267 | E | 38.3 | Very low | 44 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | 61 | 108.4 | 68.8 | -165.3 | 166.4 | -168.3 | 0 | 0 | 112.3 | |||||
| 268 | I | 48.9 | Very low | 44.3 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | 46.5 | 98.4 | 163.4 | -52 | 164.2 | 0 | 0 | 0 | 116.3 | ||||
| 269 | Q | 41 | Very low | 45 | Very low | 142 Ų | 142 | 153.3 Ų | 153.3 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -157.7 | 95.1 | 135.1 | -120.1 | 170 | 65.5 | 0 | 0 | 113.8 | R271 | Q269-R271 PolarHBondContact O-N 3.4Å; Q269-R271 VanDerWaalsContact O-N 3.1Å; Q269-R271 VanDerWaalsContact OE1-CZ 3.3Å | ||
| 270 | E | 44.4 | Very low | 45.8 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -66.4 | 101.8 | 164.7 | -64.8 | -169.2 | 132.3 | 0 | 0 | 110.3 | T272 | E270-T272 VanDerWaalsContact C-N 3.26Å; E270-T272 PolarHBondContact O-N 3.07Å | ||
| 271 | R | 47.8 | Very low | 46.4 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -84.1 | 72.7 | 179.1 | -70.3 | -168.5 | 172.4 | -172.8 | -1.6 | 112.9 | Q269 N273 | Q269-R271 PolarHBondContact O-N 3.4Å; Q269-R271 VanDerWaalsContact O-N 3.1Å; Q269-R271 VanDerWaalsContact OE1-CZ 3.3Å; R271-N273 PolarHBondContact O-N 2.69Å | ||
| 272 | T | 53.1 | Low | 46.6 | Very low | 95 Ų | 95 | 151 Ų | 151 | 58% | 0.583 | 79% | 0.785 | S | S | * | * | trans | 6.4 | 107.7 | 147.7 | 55.1 | 0 | 0 | 0 | 0 | 117 | E270 K274 | E270-T272 VanDerWaalsContact C-N 3.26Å; E270-T272 PolarHBondContact O-N 3.07Å; T272-K274 HydrophobicContact CG2-CD 4.44Å | ||
| 273 | N | 50.3 | Low | 46.9 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | trans | -120.2 | 63 | 152.9 | -103.5 | -45.9 | 0 | 0 | 0 | 109.2 | R271 R275 | R271-N273 PolarHBondContact O-N 2.69Å; N273-R275 PolarHBondContact O-N 3.24Å | ||
| 274 | K | 57.9 | Low | 47.8 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -82.6 | 108.2 | -178.9 | -67.2 | -179.6 | -179.4 | 178 | 0 | 109.7 | T272 T276 | T272-K274 HydrophobicContact CG2-CD 4.44Å; K274-T276 HydrophobicContact CB-CG2 4.34Å | ||
| 275 | R | 50.3 | Low | 48.3 | Very low | 221 Ų | 221 | 161 Ų | 161 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -98.1 | 86.3 | 167.7 | -166.1 | 178 | -173.9 | -161.9 | 1.8 | 109.8 | N273 N277 | N273-R275 PolarHBondContact O-N 3.24Å; R275-N277 PolarHBondContact O-N 2.85Å | ||
| 276 | T | 65.6 | Low | 48.7 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 102.6 | -173.8 | 44 | 0 | 0 | 0 | 0 | 112.1 | K274 | K274-T276 HydrophobicContact CB-CG2 4.34Š| ||
| 277 | N | 55.9 | Low | 49.3 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | -113.5 | 55.6 | 174.7 | -76 | 46.4 | 0 | 0 | 0 | 111.1 | R275 | R275-N277 PolarHBondContact O-N 2.85Š| ||
| 278 | W | 47.9 | Very low | 49.5 | Very low | 236 Ų | 236 | 158.3 Ų | 158.3 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -118.3 | 120.2 | 171.9 | -64.1 | 91 | 0 | 0 | 0 | 108.4 | V280 | W278-V280 PolarHBondContact O-N 2.86Š| ||
| 279 | K | 54.4 | Low | 49.6 | Very low | 215 Ų | 215 | 157.3 Ų | 157.3 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -70.1 | 115.2 | 173.5 | -71.9 | -175.4 | 174.3 | -172.4 | 0 | 108 | ||||
| 280 | V | 51.5 | Low | 50.5 | Low | 137 Ų | 137 | 156 Ų | 156 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 133 | 160.7 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | W278 | W278-V280 PolarHBondContact O-N 2.86Š| ||
| 281 | A | 45.5 | Very low | 51.3 | Low | 85 Ų | 85 | 156.2 Ų | 156.2 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -73.8 | 142 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | D283 | A281-D283 PolarHBondContact O-N 2.79Š| ||
| 282 | T | 43.8 | Very low | 51.5 | Low | 137 Ų | 137 | 154.1 Ų | 154.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -65.7 | 115.2 | 174.1 | 44.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 283 | D | 47.4 | Very low | 51.3 | Low | 150 Ų | 150 | 161 Ų | 161 | 80% | 0.802 | 84% | 0.842 | S | S | * | * | trans | -110.2 | 97.5 | 170 | -169.7 | 5 | 0 | 0 | 0 | 108.1 | A281 | A281-D283 PolarHBondContact O-N 2.79Š| ||
| 284 | E | 54.5 | Low | 51.3 | Low | 185 Ų | 185 | 160.5 Ų | 160.5 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | -140.3 | 72.1 | 179.2 | -74.5 | -170.3 | -169.7 | 0 | 0 | 110.4 | ||||
| 285 | R | 41.4 | Very low | 51 | Low | 223 Ų | 223 | 160.1 Ų | 160.1 | 84% | 0.842 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -153.3 | 117.6 | 145 | -158 | 152.4 | -176.3 | 163.1 | -0.6 | 115 | ||
| 286 | S | 47.8 | Very low | 51 | Low | 94 Ų | 94 | 156.7 Ų | 156.7 | 66% | 0.657 | 84% | 0.844 | S | S | * | * | trans | 47.8 | 101.9 | 151.8 | -58.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 287 | A | 48.1 | Very low | 50.1 | Low | 114 Ų | 114 | 159.3 Ų | 159.3 | 94% | 0.942 | 85% | 0.853 | S | S | * | * | trans | -77.6 | 113.9 | 139.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 288 | E | 42.7 | Very low | 49.8 | Very low | 180 Ų | 180 | 161.3 Ų | 161.3 | 84% | 0.841 | 86% | 0.864 | S | S | * | * | trans | -127.7 | 126.8 | 152.2 | 67.5 | -173.3 | -174 | 0 | 0 | 107.6 | ||||
| 289 | S | 49.8 | Very low | 49.9 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 83% | 0.832 | 86% | 0.862 | S | S | * | * | trans | -143.7 | 122.5 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 290 | S | 59.3 | Low | 49.6 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 81% | 0.811 | 86% | 0.857 | S | S | * | * | trans | -76 | 142.3 | -179.8 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 291 | E | 62.4 | Low | 49.4 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 86% | 0.859 | S | S | * | * | trans | -143.1 | 147 | 163.6 | -148.4 | 158.4 | 124.3 | 0 | 0 | 107.9 | ||||
| 292 | D | 52.6 | Low | 49.8 | Very low | 163 Ų | 163 | 159 Ų | 159 | 87% | 0.872 | 87% | 0.872 | S | S | * | * | trans | -65.5 | 139.6 | -155.2 | -60.3 | -150.9 | 0 | 0 | 0 | 117.4 | ||||
| 293 | D | 47.2 | Very low | 50.3 | Low | 240 Ų | 240 | 161 Ų | 161 | 100% | 1.283 | 88% | 0.875 | S | S | * | * | -160.1 | 0 | 117.5 | -163.4 | 38.1 | 0 | 0 | 0 | 109.9 |
Retrieved 293 of 293 residues in 111 ms
(Link to these results)