| 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 | 61.7 | Low | 84.1 | Confident | 214 Ų | 214 | 118.2 Ų | 118.2 | 100% | 1.054 | 63% | 0.626 | S | S | * | * | 0 | 4.6 | 0 | -67.8 | 172.3 | 77 | 0 | 0 | 114.7 | |||||
| 2 | I | 68.3 | Low | 84.8 | Confident | 153 Ų | 153 | 112.8 Ų | 112.8 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.9 | -29.3 | -173.1 | -67.1 | 162.2 | 0 | 0 | 0 | 113.6 | L6 | I2-L6 PolarHBondContact O-N 3.37Å |
| 3 | N | 82 | Confident | 85.4 | Confident | 115 Ų | 115 | 109.2 Ų | 109.2 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.6 | -36.7 | -174.5 | -157.1 | 11 | 0 | 0 | 0 | 113.7 | N5 L6 I7 | N3-N5 PolarHBondContact O-N 3.23Å; N3-L6 PolarHBondContact O-N 3.29Å; N3-I7 WeakPolarHBondContact O-CG1 3.42Å; N3-I7 PolarHBondContact O-N 2.85Å; N3-I7 VanDerWaalsContact O-N 3.08Å |
| 4 | V | 86.8 | Confident | 85.9 | Confident | 104 Ų | 104 | 106.4 Ų | 106.4 | 63% | 0.63 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.5 | -40.4 | -179 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | L6 I7 L8 | V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.4Å; V4-I7 PolarHBondContact O-N 2.96Å; V4-L8 WeakPolarHBondContact O-CB 3.33Å; V4-L8 PolarHBondContact O-N 3.32Å |
| 5 | N | 86.7 | Confident | 86.4 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.1 | -36 | 178.4 | -70.1 | -15.9 | 0 | 0 | 0 | 112.2 | N3 L9 | N3-N5 PolarHBondContact O-N 3.23Å; N5-L9 WeakPolarHBondContact O-CB 3.23Å; N5-L9 PolarHBondContact O-N 3.35Å |
| 6 | L | 86.6 | Confident | 86.8 | Confident | 97 Ų | 97 | 106 Ų | 106 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.2 | -43.8 | 176 | -170.7 | 70.4 | 0 | 0 | 0 | 111.3 | I2 N3 V4 L9 I10 | I2-L6 PolarHBondContact O-N 3.37Å; N3-L6 PolarHBondContact O-N 3.29Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 3.48Å; L6-I10 HydrophobicContact CG-CD1 4.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.24Å; L6-I10 PolarHBondContact O-N 2.88Å |
| 7 | I | 88.8 | Confident | 87.1 | Confident | 91 Ų | 91 | 105.5 Ų | 105.5 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.7 | -45.9 | 176 | -67.5 | 166.1 | 0 | 0 | 0 | 110.4 | N3 V4 L9 I10 V11 | N3-I7 WeakPolarHBondContact O-CG1 3.42Å; N3-I7 PolarHBondContact O-N 2.85Å; N3-I7 VanDerWaalsContact O-N 3.08Å; V4-I7 PolarHBondContact O-N 2.96Å; I7-L9 VanDerWaalsContact C-N 3.29Å; I7-L9 PolarHBondContact O-N 3.32Å; I7-I10 PolarHBondContact O-N 3.18Å; I7-V11 HydrophobicContact CG2-CG2 4.25Å; I7-V11 VanDerWaalsContact O-CG2 3.31Å; I7-V11 WeakPolarHBondContact O-CG2 3.4Å; I7-V11 PolarHBondContact O-N 3.48Å |
| 8 | L | 89.6 | Confident | 87.3 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.3 | -41.6 | 178.4 | -168.6 | 74.4 | 0 | 0 | 0 | 111.6 | V4 V11 S12 | V4-L8 WeakPolarHBondContact O-CB 3.33Å; V4-L8 PolarHBondContact O-N 3.32Å; L8-V11 PolarHBondContact O-N 2.74Å; L8-S12 WeakPolarHBondContact O-CB 3.26Å; L8-S12 PolarHBondContact O-N 2.85Å; L8-S12 PolarHBondContact O-OG 2.91Å |
| 9 | L | 91.1 | Very high | 87.6 | Confident | 111 Ų | 111 | 103.7 Ų | 103.7 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.9 | -47.1 | 176 | -176.6 | 67.7 | 0 | 0 | 0 | 111.6 | N5 L6 I7 S12 C13 | N5-L9 WeakPolarHBondContact O-CB 3.23Å; N5-L9 PolarHBondContact O-N 3.35Å; L6-L9 PolarHBondContact O-N 3.48Å; I7-L9 VanDerWaalsContact C-N 3.29Å; I7-L9 PolarHBondContact O-N 3.32Å; L9-S12 PolarHBondContact O-N 3.42Å; L9-S12 PolarHBondContact O-OG 3.45Å; L9-C13 WeakPolarHBondContact O-CB 3.26Å; L9-C13 PolarHBondContact O-N 2.87Å |
| 10 | I | 91.1 | Very high | 87.7 | Confident | 97 Ų | 97 | 103.7 Ų | 103.7 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -47.4 | 179 | -66.4 | 166 | 0 | 0 | 0 | 110.6 | L6 I7 S12 C13 S14 | L6-I10 HydrophobicContact CG-CD1 4.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.24Å; L6-I10 PolarHBondContact O-N 2.88Å; I7-I10 PolarHBondContact O-N 3.18Å; I10-S12 VanDerWaalsContact C-N 3.32Å; I10-S12 PolarHBondContact O-N 3.41Å; I10-C13 PolarHBondContact O-N 3.25Å; I10-S14 PolarHBondContact O-N 3.26Å; I10-S14 PolarHBondContact O-OG 2.9Å |
| 11 | V | 92.3 | Very high | 87.5 | Confident | 88 Ų | 88 | 102 Ų | 102 | 53% | 0.533 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.5 | -43.9 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | I7 L8 C13 S14 L15 | I7-V11 HydrophobicContact CG2-CG2 4.25Å; I7-V11 VanDerWaalsContact O-CG2 3.31Å; I7-V11 WeakPolarHBondContact O-CG2 3.4Å; I7-V11 PolarHBondContact O-N 3.48Å; L8-V11 PolarHBondContact O-N 2.74Å; V11-C13 VanDerWaalsContact C-N 3.34Å; V11-C13 PolarHBondContact O-N 2.96Å; V11-S14 PolarHBondContact O-N 2.92Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 PolarHBondContact O-N 3.48Å |
| 12 | S | 92.5 | Very high | 88.9 | Confident | 53 Ų | 53 | 96.4 Ų | 96.4 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 177.3 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | L8 L9 I10 L15 L16 | L8-S12 WeakPolarHBondContact O-CB 3.26Å; L8-S12 PolarHBondContact O-N 2.85Å; L8-S12 PolarHBondContact O-OG 2.91Å; L9-S12 PolarHBondContact O-N 3.42Å; L9-S12 PolarHBondContact O-OG 3.45Å; I10-S12 VanDerWaalsContact C-N 3.32Å; I10-S12 PolarHBondContact O-N 3.41Å; S12-L15 PolarHBondContact O-N 3.42Å; S12-L16 WeakPolarHBondContact O-CG 3.34Å; S12-L16 PolarHBondContact O-N 2.9Å; S12-L16 VanDerWaalsContact O-N 3.07Å |
| 13 | C | 93.2 | Very high | 90 | Very high | 66 Ų | 66 | 94.1 Ų | 94.1 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | 178.2 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | L9 I10 V11 L15 L16 I17 | L9-C13 WeakPolarHBondContact O-CB 3.26Å; L9-C13 PolarHBondContact O-N 2.87Å; I10-C13 PolarHBondContact O-N 3.25Å; V11-C13 VanDerWaalsContact C-N 3.34Å; V11-C13 PolarHBondContact O-N 2.96Å; C13-L15 VanDerWaalsContact C-N 3.31Å; C13-L15 PolarHBondContact O-N 2.99Å; C13-L16 PolarHBondContact O-N 3.35Å; C13-I17 WeakPolarHBondContact O-CG1 3.37Å; C13-I17 PolarHBondContact O-N 3.31Å |
| 14 | S | 92.3 | Very high | 90 | Very high | 70 Ų | 70 | 91.8 Ų | 91.8 | 49% | 0.49 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | I10 V11 I17 L18 | I10-S14 PolarHBondContact O-N 3.26Å; I10-S14 PolarHBondContact O-OG 2.9Å; V11-S14 PolarHBondContact O-N 2.92Å; S14-I17 PolarHBondContact O-N 2.76Å; S14-L18 PolarHBondContact O-N 2.92Å; S14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | L | 93.5 | Very high | 89.8 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176.6 | -171.2 | 67.7 | 0 | 0 | 0 | 111.7 | V11 S12 C13 I17 L18 I19 | V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 PolarHBondContact O-N 3.48Å; S12-L15 PolarHBondContact O-N 3.42Å; C13-L15 VanDerWaalsContact C-N 3.31Å; C13-L15 PolarHBondContact O-N 2.99Å; L15-I17 PolarHBondContact O-N 3.46Å; L15-L18 PolarHBondContact O-N 2.96Å; L15-I19 HydrophobicContact CG-CD1 4.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.01Å |
| 16 | L | 91.9 | Very high | 89.8 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 176.1 | -76.2 | 168.4 | 0 | 0 | 0 | 112.4 | S12 C13 L18 I19 I20 | S12-L16 WeakPolarHBondContact O-CG 3.34Å; S12-L16 PolarHBondContact O-N 2.9Å; S12-L16 VanDerWaalsContact O-N 3.07Å; C13-L16 PolarHBondContact O-N 3.35Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 3.38Å; L16-I19 PolarHBondContact O-N 2.95Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 3.01Å |
| 17 | I | 91.9 | Very high | 89.7 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 177.4 | -65.6 | 165.6 | 0 | 0 | 0 | 110.9 | C13 S14 L15 I20 S21 | C13-I17 WeakPolarHBondContact O-CG1 3.37Å; C13-I17 PolarHBondContact O-N 3.31Å; S14-I17 PolarHBondContact O-N 2.76Å; L15-I17 PolarHBondContact O-N 3.46Å; I17-I20 PolarHBondContact O-N 2.98Å; I17-S21 WeakPolarHBondContact O-CB 3.38Å; I17-S21 PolarHBondContact O-N 2.91Å; I17-S21 PolarHBondContact O-OG 3.39Å |
| 18 | L | 90.9 | Very high | 89 | Confident | 99 Ų | 99 | 91.3 Ų | 91.3 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 178 | -172.8 | 139.4 | 0 | 0 | 0 | 111.6 | S14 L15 L16 S21 L22 | S14-L18 PolarHBondContact O-N 2.92Å; S14-L18 VanDerWaalsContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 2.96Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 3.38Å; L18-S21 PolarHBondContact O-N 3.07Å; L18-L22 HydrophobicContact CD2-CD1 3.72Å; L18-L22 HydrophobicContact CD2-CG 4.46Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.85Å |
| 19 | I | 92.9 | Very high | 88.5 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 40% | 0.395 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 175.3 | -67.5 | 165.6 | 0 | 0 | 0 | 110.9 | L15 L16 S21 L22 L23 | L15-I19 HydrophobicContact CG-CD1 4.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.01Å; L16-I19 PolarHBondContact O-N 2.95Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 3.14Å; I19-L22 PolarHBondContact O-N 3.25Å; I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 HydrophobicContact CG2-CG 4.4Å; I19-L23 WeakPolarHBondContact O-CG 3.41Å; I19-L23 PolarHBondContact O-N 3.3Å |
| 20 | I | 90.6 | Very high | 88.2 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 178.4 | -66.6 | 166.6 | 0 | 0 | 0 | 110.8 | L16 I17 L23 T24 | L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 3.01Å; I17-I20 PolarHBondContact O-N 2.98Å; I20-L23 PolarHBondContact O-N 3.42Å; I20-T24 WeakPolarHBondContact O-CB 3.41Å; I20-T24 PolarHBondContact O-N 3.41Å; I20-T24 PolarHBondContact O-OG1 2.72Å |
| 21 | S | 83.1 | Confident | 87.1 | Confident | 68 Ų | 68 | 91 Ų | 91 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | I17 L18 I19 T24 L25 | I17-S21 WeakPolarHBondContact O-CB 3.38Å; I17-S21 PolarHBondContact O-N 2.91Å; I17-S21 PolarHBondContact O-OG 3.39Å; L18-S21 PolarHBondContact O-N 3.07Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 3.14Å; S21-T24 PolarHBondContact O-N 3.06Å; S21-L25 PolarHBondContact O-N 3.25Å |
| 22 | L | 90.6 | Very high | 85.7 | Confident | 97 Ų | 97 | 89.4 Ų | 89.4 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 176 | -73 | 172.4 | 0 | 0 | 0 | 112.1 | L18 I19 T24 L25 L26 | L18-L22 HydrophobicContact CD2-CD1 3.72Å; L18-L22 HydrophobicContact CD2-CG 4.46Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.85Å; I19-L22 PolarHBondContact O-N 3.25Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.28Å; L22-L25 PolarHBondContact O-N 3.24Å; L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 3.23Å |
| 23 | L | 91 | Very high | 84.1 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 175.5 | -72.4 | 174.4 | 0 | 0 | 0 | 111.6 | I19 I20 L26 F27 | I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 HydrophobicContact CG2-CG 4.4Å; I19-L23 WeakPolarHBondContact O-CG 3.41Å; I19-L23 PolarHBondContact O-N 3.3Å; I20-L23 PolarHBondContact O-N 3.42Å; L23-L26 PolarHBondContact O-N 2.61Å; L23-F27 VanDerWaalsContact O-CB 3.26Å; L23-F27 WeakPolarHBondContact O-CB 3.45Å; L23-F27 PolarHBondContact O-N 3.5Å |
| 24 | T | 82.7 | Confident | 82.1 | Confident | 65 Ų | 65 | 101.2 Ų | 101.2 | 40% | 0.399 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | I20 S21 L22 F27 Q28 | I20-T24 WeakPolarHBondContact O-CB 3.41Å; I20-T24 PolarHBondContact O-N 3.41Å; I20-T24 PolarHBondContact O-OG1 2.72Å; S21-T24 PolarHBondContact O-N 3.06Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.28Å; T24-F27 PolarHBondContact O-N 3.26Å; T24-Q28 VanDerWaalsContact O-CG 3.29Å; T24-Q28 WeakPolarHBondContact O-CG 3.34Å; T24-Q28 PolarHBondContact O-N 3.08Å |
| 25 | L | 81.5 | Confident | 79.9 | Confident | 97 Ų | 97 | 103 Ų | 103 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.9 | -172.1 | 121.2 | 0 | 0 | 0 | 112.1 | S21 L22 F27 Q28 L29 | S21-L25 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 3.24Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.41Å; L25-Q28 PolarHBondContact O-N 2.73Å; L25-L29 HydrophobicContact CD2-CD1 3.95Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 3.36Å |
| 26 | L | 87.6 | Confident | 77.8 | Confident | 93 Ų | 93 | 102.8 Ų | 102.8 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.2 | -74 | 172.7 | 0 | 0 | 0 | 111.5 | L22 L23 Q28 L29 I30 | L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 3.23Å; L23-L26 PolarHBondContact O-N 2.61Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.07Å; L26-L29 PolarHBondContact O-N 3.06Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.19Å; L26-I30 PolarHBondContact O-N 3.35Å |
| 27 | F | 83.8 | Confident | 75.3 | Confident | 122 Ų | 122 | 107.9 Ų | 107.9 | 54% | 0.535 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.7 | -42.7 | 175.7 | -176.9 | -98.2 | 0 | 0 | 0 | 111.6 | L23 T24 L25 L29 I30 M31 | L23-F27 VanDerWaalsContact O-CB 3.26Å; L23-F27 WeakPolarHBondContact O-CB 3.45Å; L23-F27 PolarHBondContact O-N 3.5Å; T24-F27 PolarHBondContact O-N 3.26Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.41Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.44Å; F27-I30 PolarHBondContact O-N 3.02Å; F27-M31 HydrophobicContact CD1-CG 4.14Å; F27-M31 HydrophobicContact CD2-CG 4.38Å; F27-M31 HydrophobicContact CE1-CE 4.35Å; F27-M31 HydrophobicContact CE1-CG 3.76Å; F27-M31 HydrophobicContact CE2-CE 3.52Å; F27-M31 HydrophobicContact CE2-CG 4.02Å; F27-M31 HydrophobicContact CG-CG 4.45Å; F27-M31 HydrophobicContact CZ-CE 3.39Å; F27-M31 HydrophobicContact CZ-CG 3.71Å; F27-M31 HydrophobicContact CZ-SD 4.39Å; F27-M31 WeakPolarHBondContact O-CB 3.44Å; F27-M31 WeakPolarHBondContact O-CG 3.45Å; F27-M31 PolarHBondContact O-N 2.89Å |
| 28 | Q | 74 | Confident | 73.2 | Confident | 82 Ų | 82 | 111 Ų | 111 | 38% | 0.383 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.8 | -37.9 | 173.3 | -73.4 | 177.3 | 22.8 | 0 | 0 | 112.3 | T24 L25 L26 G32 | T24-Q28 VanDerWaalsContact O-CG 3.29Å; T24-Q28 WeakPolarHBondContact O-CG 3.34Å; T24-Q28 PolarHBondContact O-N 3.08Å; L25-Q28 PolarHBondContact O-N 2.73Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.07Å; Q28-G32 VanDerWaalsContact O-CA 3.26Å; Q28-G32 WeakPolarHBondContact O-CA 3.48Å; Q28-G32 PolarHBondContact O-N 3.43Å |
| 29 | L | 80.1 | Confident | 70.9 | Confident | 95 Ų | 95 | 114.1 Ų | 114.1 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.2 | -38.4 | 175.5 | -72.7 | 170.7 | 0 | 0 | 0 | 112.2 | L25 L26 F27 K33 | L25-L29 HydrophobicContact CD2-CD1 3.95Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 3.36Å; L26-L29 PolarHBondContact O-N 3.06Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.44Å; L29-K33 VanDerWaalsContact O-CG 3.23Å; L29-K33 WeakPolarHBondContact O-CG 3.4Å; L29-K33 PolarHBondContact O-N 3.1Å |
| 30 | I | 84.7 | Confident | 68.8 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 59% | 0.585 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.7 | -47.6 | 178.1 | -66 | 163 | 0 | 0 | 0 | 110.3 | L26 F27 | L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.19Å; L26-I30 PolarHBondContact O-N 3.35Å; F27-I30 PolarHBondContact O-N 3.02Å |
| 31 | M | 68.5 | Low | 66.8 | Low | 110 Ų | 110 | 120.5 Ų | 120.5 | 54% | 0.542 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.5 | -37.5 | 179.1 | -71.5 | -64.2 | -170.1 | 0 | 0 | 112.3 | F27 K33 K34 | F27-M31 HydrophobicContact CD1-CG 4.14Å; F27-M31 HydrophobicContact CD2-CG 4.38Å; F27-M31 HydrophobicContact CE1-CE 4.35Å; F27-M31 HydrophobicContact CE1-CG 3.76Å; F27-M31 HydrophobicContact CE2-CE 3.52Å; F27-M31 HydrophobicContact CE2-CG 4.02Å; F27-M31 HydrophobicContact CG-CG 4.45Å; F27-M31 HydrophobicContact CZ-CE 3.39Å; F27-M31 HydrophobicContact CZ-CG 3.71Å; F27-M31 HydrophobicContact CZ-SD 4.39Å; F27-M31 WeakPolarHBondContact O-CB 3.44Å; F27-M31 WeakPolarHBondContact O-CG 3.45Å; F27-M31 PolarHBondContact O-N 2.89Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 2.95Å; M31-K34 PolarHBondContact O-N 3.22Å |
| 32 | G | 63.3 | Low | 65.3 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.2 | -18.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q28 K34 | Q28-G32 VanDerWaalsContact O-CA 3.26Å; Q28-G32 WeakPolarHBondContact O-CA 3.48Å; Q28-G32 PolarHBondContact O-N 3.43Å; G32-K34 PolarHBondContact O-N 3.32Å |
| 33 | K | 57 | Low | 63.2 | Low | 181 Ų | 181 | 120.1 Ų | 120.1 | 79% | 0.787 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -4.4 | 173.1 | -79.7 | 175.2 | -179.9 | -177.3 | 0 | 114 | L29 M31 | L29-K33 VanDerWaalsContact O-CG 3.23Å; L29-K33 WeakPolarHBondContact O-CG 3.4Å; L29-K33 PolarHBondContact O-N 3.1Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 2.95Å |
| 34 | K | 51.5 | Low | 61 | Low | 187 Ų | 187 | 124.8 Ų | 124.8 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 20.8 | -176.3 | -77.3 | -170.5 | 176.3 | -178 | 0 | 116.2 | M31 G32 | M31-K34 PolarHBondContact O-N 3.22Å; G32-K34 PolarHBondContact O-N 3.32Å |
| 35 | S | 47 | Very low | 59.1 | Low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -124.4 | 131 | 172.9 | -160.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 36 | P | 49.9 | Very low | 57.5 | Low | 99 Ų | 99 | 133.3 Ų | 133.3 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | -109.9 | 156.1 | -128.7 | 18.4 | 0.6 | 0 | 0 | 0 | 114 | K38 | P36-K38 PolarHBondContact O-N 3.32Š| |||
| 37 | K | 38.7 | Very low | 55.7 | Low | 212 Ų | 212 | 134.4 Ų | 134.4 | 92% | 0.922 | 72% | 0.716 | S | S | * | * | trans | -41.6 | 105.8 | 154.3 | -68.9 | 174.7 | 176.6 | 178.2 | 0 | 110 | ||||
| 38 | K | 47.1 | Very low | 53.7 | Low | 162 Ų | 162 | 133.7 Ų | 133.7 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | trans | -129.3 | 85.3 | 154.7 | -79.8 | -169.9 | 171.6 | -168.7 | 0 | 108.3 | P36 Y40 | P36-K38 PolarHBondContact O-N 3.32Å; K38-Y40 HydrophobicContact CB-CD2 4.25Å; K38-Y40 HydrophobicContact CB-CE2 4.27Å; K38-Y40 HydrophobicContact CD-CE2 4.19Å; K38-Y40 HydrophobicContact CG-CE2 4.47Å; K38-Y40 PolarHBondContact O-N 2.92Å | ||
| 39 | L | 42.9 | Very low | 52.4 | Low | 165 Ų | 165 | 136.8 Ų | 136.8 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -52 | 116.9 | 153.1 | -138.9 | 86.4 | 0 | 0 | 0 | 107.3 | ||||
| 40 | Y | 49.6 | Very low | 50.8 | Low | 193 Ų | 193 | 143.2 Ų | 143.2 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -130.4 | 116.6 | 157.4 | -85.8 | -80.3 | 0 | 0 | 0 | 107.7 | K38 | K38-Y40 HydrophobicContact CB-CD2 4.25Å; K38-Y40 HydrophobicContact CB-CE2 4.27Å; K38-Y40 HydrophobicContact CD-CE2 4.19Å; K38-Y40 HydrophobicContact CG-CE2 4.47Å; K38-Y40 PolarHBondContact O-N 2.92Å | ||
| 41 | P | 47.6 | Very low | 49.1 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -83.6 | 136.8 | 177.8 | 33.8 | -29.7 | 0 | 0 | 0 | 109.6 | ||||
| 42 | G | 52.7 | Low | 48.5 | Very low | 83 Ų | 83 | 148 Ų | 148 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 103.7 | 125.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 43 | G | 46 | Very low | 47.9 | Very low | 74 Ų | 74 | 150.5 Ų | 150.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 109.4 | 85.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 44 | K | 45.9 | Very low | 47.5 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | 74.1 | 104.5 | 152.8 | -64 | -176.3 | 177 | 179.3 | 0 | 118.4 | V46 | K44-V46 PolarHBondContact O-N 3.46Š| ||
| 45 | K | 42.5 | Very low | 47.5 | Very low | 214 Ų | 214 | 146.1 Ų | 146.1 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | trans | -54.9 | 109.4 | 160.7 | -63.7 | 172.9 | 176.9 | 177.8 | 0 | 110.9 | ||||
| 46 | V | 47.8 | Very low | 47.5 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -134 | 96.9 | 151.8 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | K44 | K44-V46 PolarHBondContact O-N 3.46Š| ||
| 47 | T | 49.9 | Very low | 47.3 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 34.8 | 95.4 | 160.3 | 40.4 | 0 | 0 | 0 | 0 | 117.6 | I49 | T47-I49 PolarHBondContact O-N 2.78Š| ||
| 48 | A | 40.3 | Very low | 48 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 88% | 0.884 | 74% | 0.744 | S | S | * | * | trans | -58.9 | 92.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 49 | I | 48 | Very low | 48.5 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -129.5 | 70.3 | 160.5 | -50.7 | 176 | 0 | 0 | 0 | 106.7 | T47 | T47-I49 PolarHBondContact O-N 2.78Š| ||
| 50 | R | 45.7 | Very low | 48.9 | Very low | 230 Ų | 230 | 131.6 Ų | 131.6 | 87% | 0.868 | 72% | 0.72 | S | S | * | * | trans | -116.2 | 74.2 | 163 | -67.3 | -168.2 | -155.1 | -174 | 7.2 | 107.7 | H52 | R50-H52 PolarHBondContact O-N 2.78Š| ||
| 51 | N | 49.8 | Very low | 49 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -74.1 | 84.3 | 164.5 | -153.1 | 18.4 | 0 | 0 | 0 | 106.9 | I53 | N51-I53 VanDerWaalsContact C-N 3.26Å; N51-I53 PolarHBondContact O-N 3.16Å | ||
| 52 | H | 55.1 | Low | 49.6 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | trans | -77 | 82.6 | -178.9 | -142.2 | -78.3 | 0 | 0 | 0 | 108.4 | R50 | R50-H52 PolarHBondContact O-N 2.78Š| ||
| 53 | I | 50.2 | Low | 49.7 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 55% | 0.549 | 69% | 0.69 | S | S | . | * | trans | -1 | 116.8 | 160.1 | -57 | 155.5 | 0 | 0 | 0 | 115.1 | N51 L58 | N51-I53 VanDerWaalsContact C-N 3.26Å; N51-I53 PolarHBondContact O-N 3.16Å; I53-L58 HydrophobicContact CG2-CD1 3.73Å | ||
| 54 | P | 48.6 | Very low | 50.1 | Low | 90 Ų | 90 | 133.2 Ų | 133.2 | 58% | 0.584 | 68% | 0.682 | S | S | * | * | trans | -72.6 | 129.6 | 153.7 | 30.5 | -27.6 | 0 | 0 | 0 | 107.9 | V56 | P54-V56 PolarHBondContact O-N 3.15Š| ||
| 55 | F | 51.5 | Low | 50.5 | Low | 185 Ų | 185 | 130.2 Ų | 130.2 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | trans | -60 | 76 | 171.9 | -98.6 | -103.7 | 0 | 0 | 0 | 110.5 | ||||
| 56 | V | 47.8 | Very low | 51.2 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | trans | -74 | 143.8 | 151 | 178.5 | 0 | 0 | 0 | 0 | 105.5 | P54 L58 | P54-V56 PolarHBondContact O-N 3.15Å; V56-L58 PolarHBondContact O-N 2.72Å | ||
| 57 | P | 45.8 | Very low | 51.8 | Low | 81 Ų | 81 | 122.6 Ų | 122.6 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | trans | -61.9 | 84.8 | -172.8 | -7.3 | 17.2 | 0 | 0 | 0 | 111.8 | S59 I60 | P57-S59 PolarHBondContact O-N 3.17Å; P57-S59 VanDerWaalsContact O-N 3.08Å; P57-I60 HydrophobicContact CB-CD1 4.5Å; P57-I60 PolarHBondContact O-N 3.08Å | ||
| 58 | L | 52.9 | Low | 51.9 | Low | 86 Ų | 86 | 118.7 Ų | 118.7 | 45% | 0.45 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.5 | -7.7 | 177.3 | -91.6 | 152.5 | 0 | 0 | 0 | 111.7 | I53 V56 R62 | I53-L58 HydrophobicContact CG2-CD1 3.73Å; V56-L58 PolarHBondContact O-N 2.72Å; L58-R62 WeakPolarHBondContact O-CB 3.3Å; L58-R62 WeakPolarHBondContact O-CG 3.34Å; L58-R62 PolarHBondContact O-N 3.34Å |
| 59 | S | 57.3 | Low | 52.3 | Low | 71 Ų | 71 | 120.4 Ų | 120.4 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69 | -39.5 | 171.3 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | P57 I63 | P57-S59 PolarHBondContact O-N 3.17Å; P57-S59 VanDerWaalsContact O-N 3.08Å; S59-I63 WeakPolarHBondContact O-CD1 3.38Å; S59-I63 VanDerWaalsContact O-CG1 3.3Å; S59-I63 WeakPolarHBondContact O-CG1 3.47Å; S59-I63 PolarHBondContact O-N 3.27Å |
| 60 | I | 51.8 | Low | 52.4 | Low | 111 Ų | 111 | 125.1 Ų | 125.1 | 57% | 0.569 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.8 | -42.6 | -177.8 | -59.7 | 172.9 | 0 | 0 | 0 | 110.9 | P57 R62 I63 L64 | P57-I60 HydrophobicContact CB-CD1 4.5Å; P57-I60 PolarHBondContact O-N 3.08Å; I60-R62 VanDerWaalsContact C-N 3.26Å; I60-R62 PolarHBondContact O-N 2.93Å; I60-I63 PolarHBondContact O-N 3.33Å; I60-L64 WeakPolarHBondContact O-CB 3.05Å; I60-L64 PolarHBondContact O-N 3.48Å |
| 61 | N | 52.5 | Low | 52.8 | Low | 93 Ų | 93 | 125.9 Ų | 125.9 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.4 | -25.9 | 177.4 | -77.3 | -25.2 | 0 | 0 | 0 | 112.6 | L65 | N61-L65 WeakPolarHBondContact O-CB 3.38Å; N61-L65 PolarHBondContact O-N 3.3Å |
| 62 | R | 59.5 | Low | 53.2 | Low | 189 Ų | 189 | 122 Ų | 122 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.6 | -35.9 | 171.6 | -79.5 | -173.4 | 178.8 | -172.1 | 2.2 | 113.2 | L58 I60 A66 | L58-R62 WeakPolarHBondContact O-CB 3.3Å; L58-R62 WeakPolarHBondContact O-CG 3.34Å; L58-R62 PolarHBondContact O-N 3.34Å; I60-R62 VanDerWaalsContact C-N 3.26Å; I60-R62 PolarHBondContact O-N 2.93Å; R62-A66 WeakPolarHBondContact O-CB 3.31Å; R62-A66 PolarHBondContact O-N 2.92Å |
| 63 | I | 55 | Low | 53 | Low | 108 Ų | 108 | 120.4 Ų | 120.4 | 55% | 0.554 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.7 | -41.4 | 175.9 | -66.3 | 164.8 | 0 | 0 | 0 | 110 | S59 I60 A66 S67 | S59-I63 WeakPolarHBondContact O-CD1 3.38Å; S59-I63 VanDerWaalsContact O-CG1 3.3Å; S59-I63 WeakPolarHBondContact O-CG1 3.47Å; S59-I63 PolarHBondContact O-N 3.27Å; I60-I63 PolarHBondContact O-N 3.33Å; I63-A66 PolarHBondContact O-N 3.41Å; I63-S67 PolarHBondContact O-N 3.43Å; I63-S67 PolarHBondContact O-OG 3.46Å |
| 64 | L | 54.2 | Low | 53.2 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 60% | 0.602 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.7 | -37.2 | 175 | -163.7 | 73.1 | 0 | 0 | 0 | 112.5 | I60 A66 S67 G68 | I60-L64 WeakPolarHBondContact O-CB 3.05Å; I60-L64 PolarHBondContact O-N 3.48Å; L64-A66 VanDerWaalsContact C-N 3.34Å; L64-S67 WeakPolarHBondContact CA-OG 3.42Å; L64-S67 PolarHBondContact O-N 3.17Å; L64-S67 PolarHBondContact O-OG 2.96Å; L64-S67 VanDerWaalsContact O-OG 3.12Å; L64-G68 PolarHBondContact O-N 2.93Å |
| 65 | L | 54.6 | Low | 53.5 | Low | 141 Ų | 141 | 124.2 Ų | 124.2 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.1 | -21.1 | 174.7 | -158.7 | 80.5 | 0 | 0 | 0 | 112.8 | N61 | N61-L65 WeakPolarHBondContact O-CB 3.38Å; N61-L65 PolarHBondContact O-N 3.3Å |
| 66 | A | 56.3 | Low | 53.5 | Low | 87 Ų | 87 | 125.6 Ų | 125.6 | 72% | 0.719 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.5 | -26.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R62 I63 L64 | R62-A66 WeakPolarHBondContact O-CB 3.31Å; R62-A66 PolarHBondContact O-N 2.92Å; I63-A66 PolarHBondContact O-N 3.41Å; L64-A66 VanDerWaalsContact C-N 3.34Å |
| 67 | S | 60.5 | Low | 53.6 | Low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -89.6 | -8.6 | 177.8 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | I63 L64 | I63-S67 PolarHBondContact O-N 3.43Å; I63-S67 PolarHBondContact O-OG 3.46Å; L64-S67 WeakPolarHBondContact CA-OG 3.42Å; L64-S67 PolarHBondContact O-N 3.17Å; L64-S67 PolarHBondContact O-OG 2.96Å; L64-S67 VanDerWaalsContact O-OG 3.12Å |
| 68 | G | 52.1 | Low | 54.1 | Low | 34 Ų | 34 | 130.8 Ų | 130.8 | 35% | 0.351 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -132.4 | 117.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L64 | L64-G68 PolarHBondContact O-N 2.93Š|
| 69 | V | 49.8 | Very low | 53.7 | Low | 143 Ų | 143 | 132.2 Ų | 132.2 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | 82.2 | 103.1 | 158.9 | -166.3 | 0 | 0 | 0 | 0 | 117.3 | R71 | V69-R71 PolarHBondContact O-N 3.19Š| ||
| 70 | R | 49.6 | Very low | 53.5 | Low | 245 Ų | 245 | 134 Ų | 134 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -41 | 123.7 | 161.4 | -70.8 | 175.8 | 173.2 | -139.4 | -1 | 112.6 | ||||
| 71 | R | 55 | Low | 53.7 | Low | 247 Ų | 247 | 137.9 Ų | 137.9 | 93% | 0.932 | 75% | 0.748 | S | S | * | * | trans | -140.5 | 104.4 | 150.7 | -93 | -172.9 | 169.6 | 172.7 | -2.3 | 110.4 | V69 | V69-R71 PolarHBondContact O-N 3.19Š| ||
| 72 | G | 56.9 | Low | 54 | Low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | trans | 67 | 126.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 73 | P | 51.4 | Low | 54.2 | Low | 139 Ų | 139 | 135.1 Ų | 135.1 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | trans | -77.6 | 150 | 175.4 | 35.1 | -32.4 | 0 | 0 | 0 | 110.7 | ||||
| 74 | G | 53.6 | Low | 54.5 | Low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 115.4 | 64.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 75 | K | 55.7 | Low | 54.9 | Low | 203 Ų | 203 | 134.4 Ų | 134.4 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -137.9 | 121.3 | 142 | -71.4 | -166 | 178.8 | 179.8 | 0 | 108.7 | Q77 | K75-Q77 PolarHBondContact O-N 3.32Å; K75-Q77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | K | 51 | Low | 55.5 | Low | 214 Ų | 214 | 132.4 Ų | 132.4 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | trans | -47.8 | 117 | 175.5 | -67 | 176.4 | 176.1 | 179.8 | 0 | 108.7 | A78 | K76-A78 PolarHBondContact O-N 2.99Å; K76-A78 VanDerWaalsContact O-N 3.15Å | ||
| 77 | Q | 49.6 | Very low | 56.4 | Low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -64.9 | 113.6 | 170.7 | -74.4 | -179.3 | -0.1 | 0 | 0 | 107.4 | K75 S79 | K75-Q77 PolarHBondContact O-N 3.32Å; K75-Q77 VanDerWaalsContact O-N 3.14Å; Q77-S79 PolarHBondContact O-N 2.91Å; Q77-S79 VanDerWaalsContact O-N 3.16Å | ||
| 78 | A | 56.4 | Low | 57.2 | Low | 87 Ų | 87 | 132.6 Ų | 132.6 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | trans | -61.7 | 116.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | K76 V80 | K76-A78 PolarHBondContact O-N 2.99Å; K76-A78 VanDerWaalsContact O-N 3.15Å; A78-V80 PolarHBondContact O-N 3.29Å | ||
| 79 | S | 44.6 | Very low | 58.5 | Low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -63.3 | 86.6 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | Q77 K81 | Q77-S79 PolarHBondContact O-N 2.91Å; Q77-S79 VanDerWaalsContact O-N 3.16Å; S79-K81 PolarHBondContact O-N 3.26Å | ||
| 80 | V | 54 | Low | 59.9 | Low | 110 Ų | 110 | 132 Ų | 132 | 67% | 0.667 | 71% | 0.71 | S | S | * | * | trans | -71.5 | 110.4 | 166.1 | 178 | 0 | 0 | 0 | 0 | 104.8 | A78 T82 | A78-V80 PolarHBondContact O-N 3.29Å; V80-T82 PolarHBondContact O-N 3.44Å | ||
| 81 | K | 55.9 | Low | 61.4 | Low | 191 Ų | 191 | 127 Ų | 127 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | trans | -55.4 | 94.9 | 165.5 | -72.8 | -177.9 | 177.7 | -179.2 | 0 | 107.2 | S79 N83 | S79-K81 PolarHBondContact O-N 3.26Å; K81-N83 PolarHBondContact O-N 2.95Å | ||
| 82 | T | 59.3 | Low | 62.9 | Low | 99 Ų | 99 | 120 Ų | 120 | 61% | 0.607 | 68% | 0.675 | S | S | * | * | trans | -68.4 | 114.7 | 173.8 | 34.2 | 0 | 0 | 0 | 0 | 107.1 | V80 S84 | V80-T82 PolarHBondContact O-N 3.44Å; T82-S84 PolarHBondContact O-N 3.48Å | ||
| 83 | N | 62.8 | Low | 63.9 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | trans | -52 | 130.5 | 172.6 | -75.4 | -18.4 | 0 | 0 | 0 | 108.4 | K81 L85 N86 | K81-N83 PolarHBondContact O-N 2.95Å; N83-L85 PolarHBondContact O-N 2.94Å; N83-N86 PolarHBondContact O-N 2.91Å | ||
| 84 | S | 61.1 | Low | 65.4 | Low | 82 Ų | 82 | 121.6 Ų | 121.6 | 57% | 0.573 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -56.7 | -14.8 | -171.5 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | T82 S87 K88 | T82-S84 PolarHBondContact O-N 3.48Å; S84-S87 PolarHBondContact O-OG 2.93Å; S84-S87 VanDerWaalsContact O-OG 3.06Å; S84-K88 WeakPolarHBondContact O-CG 3.38Å; S84-K88 PolarHBondContact O-N 3.48Å |
| 85 | L | 62.3 | Low | 67 | Low | 125 Ų | 125 | 124.3 Ų | 124.3 | 65% | 0.654 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.1 | -46 | 171.8 | -104.2 | 152.2 | 0 | 0 | 0 | 112.8 | N83 S87 K88 V89 | N83-L85 PolarHBondContact O-N 2.94Å; L85-S87 VanDerWaalsContact C-N 3.3Å; L85-S87 PolarHBondContact O-N 3.3Å; L85-K88 PolarHBondContact O-N 3.03Å; L85-K88 VanDerWaalsContact O-N 3.14Å; L85-V89 WeakPolarHBondContact O-CG2 3.45Å; L85-V89 PolarHBondContact O-N 3.14Å |
| 86 | N | 68.6 | Low | 68.3 | Low | 99 Ų | 99 | 120 Ų | 120 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 179.2 | -77.8 | -2.6 | 0 | 0 | 0 | 110.9 | N83 K88 V89 D90 | N83-N86 PolarHBondContact O-N 2.91Å; N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.36Å; N86-V89 PolarHBondContact O-N 3.32Å; N86-D90 PolarHBondContact O-N 3.05Å |
| 87 | S | 73.7 | Confident | 69.6 | Low | 43 Ų | 43 | 115.6 Ų | 115.6 | 30% | 0.301 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -25.1 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | S84 L85 K91 | S84-S87 PolarHBondContact O-OG 2.93Å; S84-S87 VanDerWaalsContact O-OG 3.06Å; L85-S87 VanDerWaalsContact C-N 3.3Å; L85-S87 PolarHBondContact O-N 3.3Å; S87-K91 WeakPolarHBondContact O-CB 3.37Å; S87-K91 WeakPolarHBondContact O-CD 3.35Å; S87-K91 WeakPolarHBondContact O-CG 3.45Å; S87-K91 PolarHBondContact O-N 3.46Å |
| 88 | K | 78.8 | Confident | 71.2 | Confident | 143 Ų | 143 | 111.9 Ų | 111.9 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.1 | -39.6 | 172.1 | -74.4 | 177 | -178.4 | -175.7 | 0 | 111.9 | S84 L85 N86 K91 L92 | S84-K88 WeakPolarHBondContact O-CG 3.38Å; S84-K88 PolarHBondContact O-N 3.48Å; L85-K88 PolarHBondContact O-N 3.03Å; L85-K88 VanDerWaalsContact O-N 3.14Å; N86-K88 VanDerWaalsContact C-N 3.28Å; N86-K88 PolarHBondContact O-N 3.36Å; K88-K91 PolarHBondContact O-N 3.05Å; K88-L92 WeakPolarHBondContact O-CB 3.36Å; K88-L92 PolarHBondContact O-N 3.2Å |
| 89 | V | 78.7 | Confident | 72.5 | Confident | 80 Ų | 80 | 113.6 Ų | 113.6 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.8 | -44.8 | 176.9 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | L85 N86 K91 L92 E93 | L85-V89 WeakPolarHBondContact O-CG2 3.45Å; L85-V89 PolarHBondContact O-N 3.14Å; N86-V89 PolarHBondContact O-N 3.32Å; V89-K91 VanDerWaalsContact C-N 3.3Å; V89-K91 PolarHBondContact O-N 3.37Å; V89-L92 WeakPolarHBondContact O-CB 3.42Å; V89-L92 PolarHBondContact O-N 2.9Å; V89-L92 VanDerWaalsContact O-N 3.1Å; V89-E93 PolarHBondContact O-N 3.15Å |
| 90 | D | 78.8 | Confident | 74.2 | Confident | 86 Ų | 86 | 110 Ų | 110 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.2 | -40.6 | 176.8 | -64.8 | -22.2 | 0 | 0 | 0 | 111.6 | N86 E93 Q94 | N86-D90 PolarHBondContact O-N 3.05Å; D90-E93 PolarHBondContact O-N 3.25Å; D90-Q94 WeakPolarHBondContact O-CG 3.46Å; D90-Q94 PolarHBondContact O-N 3.19Å |
| 91 | K | 81.8 | Confident | 75.4 | Confident | 140 Ų | 140 | 109.8 Ų | 109.8 | 61% | 0.609 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -38.8 | 174.8 | -76.5 | 175.4 | -177.3 | -173.2 | 0 | 112.6 | S87 K88 V89 Q94 F95 | S87-K91 WeakPolarHBondContact O-CB 3.37Å; S87-K91 WeakPolarHBondContact O-CD 3.35Å; S87-K91 WeakPolarHBondContact O-CG 3.45Å; S87-K91 PolarHBondContact O-N 3.46Å; K88-K91 PolarHBondContact O-N 3.05Å; V89-K91 VanDerWaalsContact C-N 3.3Å; V89-K91 PolarHBondContact O-N 3.37Å; K91-Q94 PolarHBondContact O-N 2.98Å; K91-F95 WeakPolarHBondContact O-CB 3.21Å; K91-F95 PolarHBondContact O-N 2.89Å |
| 92 | L | 85.2 | Confident | 76.7 | Confident | 98 Ų | 98 | 108.4 Ų | 108.4 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -42.3 | 177.1 | -178.3 | 64.3 | 0 | 0 | 0 | 110.9 | K88 V89 F95 M96 | K88-L92 WeakPolarHBondContact O-CB 3.36Å; K88-L92 PolarHBondContact O-N 3.2Å; V89-L92 WeakPolarHBondContact O-CB 3.42Å; V89-L92 PolarHBondContact O-N 2.9Å; V89-L92 VanDerWaalsContact O-N 3.1Å; L92-F95 PolarHBondContact O-N 3.08Å; L92-M96 HydrophobicContact CG-CE 4.31Å; L92-M96 WeakPolarHBondContact O-CG 3.36Å; L92-M96 PolarHBondContact O-N 3.49Å |
| 93 | E | 78.8 | Confident | 77.7 | Confident | 120 Ų | 120 | 107.1 Ų | 107.1 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 175.8 | -170.9 | 177.4 | -175.7 | 0 | 0 | 111.3 | V89 D90 F95 M96 M97 | V89-E93 PolarHBondContact O-N 3.15Å; D90-E93 PolarHBondContact O-N 3.25Å; E93-F95 PolarHBondContact O-N 3.25Å; E93-M96 PolarHBondContact O-N 3.31Å; E93-M97 PolarHBondContact O-N 3.43Å |
| 94 | Q | 82.3 | Confident | 78.3 | Confident | 125 Ų | 125 | 104.4 Ų | 104.4 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -43.6 | 173.6 | -73.9 | 177.7 | 3.6 | 0 | 0 | 112.3 | D90 K91 M97 I98 | D90-Q94 WeakPolarHBondContact O-CG 3.46Å; D90-Q94 PolarHBondContact O-N 3.19Å; K91-Q94 PolarHBondContact O-N 2.98Å; Q94-M97 PolarHBondContact O-N 3.31Å; Q94-I98 WeakPolarHBondContact O-CG1 3.34Å; Q94-I98 PolarHBondContact O-N 3.03Å |
| 95 | F | 88.2 | Confident | 79.1 | Confident | 131 Ų | 131 | 104 Ų | 104 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 177.7 | -176.5 | -98.5 | 0 | 0 | 0 | 112.1 | K91 L92 E93 M97 I98 K99 | K91-F95 WeakPolarHBondContact O-CB 3.21Å; K91-F95 PolarHBondContact O-N 2.89Å; L92-F95 PolarHBondContact O-N 3.08Å; E93-F95 PolarHBondContact O-N 3.25Å; F95-M97 VanDerWaalsContact C-N 3.34Å; F95-M97 PolarHBondContact O-N 3.38Å; F95-I98 PolarHBondContact O-N 3.49Å; F95-K99 WeakPolarHBondContact O-CB 3.36Å; F95-K99 PolarHBondContact O-N 2.91Å |
| 96 | M | 82.4 | Confident | 79.7 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -39 | 175.7 | -71.5 | -167.8 | -63.8 | 0 | 0 | 111.9 | L92 E93 K99 G100 | L92-M96 HydrophobicContact CG-CE 4.31Å; L92-M96 WeakPolarHBondContact O-CG 3.36Å; L92-M96 PolarHBondContact O-N 3.49Å; E93-M96 PolarHBondContact O-N 3.31Å; M96-K99 PolarHBondContact O-N 3Å; M96-G100 PolarHBondContact O-N 2.94Å |
| 97 | M | 77.8 | Confident | 79.8 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 176 | -167.7 | 177.9 | -176 | 0 | 0 | 111.8 | E93 Q94 F95 G100 L101 | E93-M97 PolarHBondContact O-N 3.43Å; Q94-M97 PolarHBondContact O-N 3.31Å; F95-M97 VanDerWaalsContact C-N 3.34Å; F95-M97 PolarHBondContact O-N 3.38Å; M97-G100 PolarHBondContact O-N 2.93Å; M97-L101 WeakPolarHBondContact O-CG 3.37Å; M97-L101 PolarHBondContact O-N 2.98Å |
| 98 | I | 84.5 | Confident | 79.3 | Confident | 114 Ų | 114 | 110 Ų | 110 | 59% | 0.585 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 177.3 | -67.5 | 166.5 | 0 | 0 | 0 | 110.9 | Q94 F95 L101 Y102 | Q94-I98 WeakPolarHBondContact O-CG1 3.34Å; Q94-I98 PolarHBondContact O-N 3.03Å; F95-I98 PolarHBondContact O-N 3.49Å; I98-L101 PolarHBondContact O-N 3.46Å; I98-Y102 PolarHBondContact O-N 3.43Å |
| 99 | K | 82.9 | Confident | 78.4 | Confident | 123 Ų | 123 | 111.1 Ų | 111.1 | 54% | 0.535 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -44.4 | 177.6 | -172.2 | -178.9 | 176.9 | -172.9 | 0 | 111.5 | F95 M96 L101 Y102 D103 | F95-K99 WeakPolarHBondContact O-CB 3.36Å; F95-K99 PolarHBondContact O-N 2.91Å; M96-K99 PolarHBondContact O-N 3Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 3.35Å; K99-Y102 PolarHBondContact O-N 3.2Å; K99-D103 PolarHBondContact O-N 3.45Å |
| 100 | G | 81 | Confident | 77.1 | Confident | 40 Ų | 40 | 115.2 Ų | 115.2 | 41% | 0.412 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | M96 M97 C104 | M96-G100 PolarHBondContact O-N 2.94Å; M97-G100 PolarHBondContact O-N 2.93Å; G100-C104 WeakPolarHBondContact O-CB 3.46Å; G100-C104 PolarHBondContact O-N 3.4Å |
| 101 | L | 79.5 | Confident | 75.9 | Confident | 105 Ų | 105 | 117 Ų | 117 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.4 | -42.1 | 173.5 | -76.6 | 167.6 | 0 | 0 | 0 | 112.2 | M97 I98 K99 C104 V105 | M97-L101 WeakPolarHBondContact O-CG 3.37Å; M97-L101 PolarHBondContact O-N 2.98Å; I98-L101 PolarHBondContact O-N 3.46Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 3.35Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 3.25Å; L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 3.49Å |
| 102 | Y | 81.6 | Confident | 74.5 | Confident | 162 Ų | 162 | 117 Ų | 117 | 64% | 0.635 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.9 | -44.4 | 176.9 | -174.2 | -92.8 | 0 | 0 | 0 | 111.9 | I98 K99 C104 V105 K106 | I98-Y102 PolarHBondContact O-N 3.43Å; K99-Y102 PolarHBondContact O-N 3.2Å; Y102-C104 VanDerWaalsContact C-N 3.34Å; Y102-C104 PolarHBondContact O-N 3.45Å; Y102-V105 PolarHBondContact O-N 3.12Å; Y102-K106 WeakPolarHBondContact O-CB 3.35Å; Y102-K106 PolarHBondContact O-N 3.32Å |
| 103 | D | 81.7 | Confident | 72.8 | Confident | 73 Ų | 73 | 122 Ų | 122 | 39% | 0.39 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64 | -39.9 | 176.6 | -71.3 | -26.1 | 0 | 0 | 0 | 111.4 | K99 K106 I107 | K99-D103 PolarHBondContact O-N 3.45Å; D103-K106 PolarHBondContact O-N 2.9Å; D103-I107 WeakPolarHBondContact O-CG1 3.49Å; D103-I107 PolarHBondContact O-N 3.2Å; D103-I107 VanDerWaalsContact O-N 3.14Å |
| 104 | C | 74.4 | Confident | 71.7 | Confident | 68 Ų | 68 | 124.9 Ų | 124.9 | 46% | 0.459 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.4 | -47.9 | 174.9 | -168.9 | 0 | 0 | 0 | 0 | 112 | G100 L101 Y102 K106 I107 I108 | G100-C104 WeakPolarHBondContact O-CB 3.46Å; G100-C104 PolarHBondContact O-N 3.4Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 3.25Å; Y102-C104 VanDerWaalsContact C-N 3.34Å; Y102-C104 PolarHBondContact O-N 3.45Å; C104-K106 VanDerWaalsContact C-N 3.31Å; C104-K106 PolarHBondContact O-N 3.41Å; C104-I107 PolarHBondContact O-N 3.36Å; C104-I108 WeakPolarHBondContact O-CG1 3.4Å; C104-I108 PolarHBondContact O-N 3.23Å |
| 105 | V | 77.5 | Confident | 70.2 | Confident | 74 Ų | 74 | 125 Ų | 125 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.4 | -34.9 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | L101 Y102 I107 I108 K109 | L101-V105 WeakPolarHBondContact O-CG2 3.35Å; L101-V105 PolarHBondContact O-N 3.49Å; Y102-V105 PolarHBondContact O-N 3.12Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 2.95Å; V105-I108 PolarHBondContact O-N 3.14Å; V105-K109 HydrophobicContact CG1-CD 4.42Å; V105-K109 WeakPolarHBondContact O-CB 3.47Å; V105-K109 PolarHBondContact O-N 3.47Å |
| 106 | K | 76.1 | Confident | 68.7 | Low | 138 Ų | 138 | 123.1 Ų | 123.1 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.3 | -37 | 176.6 | -171.8 | 177.4 | -179.7 | -178.6 | 0 | 112.1 | Y102 D103 C104 I108 K109 | Y102-K106 WeakPolarHBondContact O-CB 3.35Å; Y102-K106 PolarHBondContact O-N 3.32Å; D103-K106 PolarHBondContact O-N 2.9Å; C104-K106 VanDerWaalsContact C-N 3.31Å; C104-K106 PolarHBondContact O-N 3.41Å; K106-I108 VanDerWaalsContact C-N 3.35Å; K106-K109 PolarHBondContact O-N 2.91Å |
| 107 | I | 69.5 | Low | 67.3 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 65% | 0.646 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.7 | -38.1 | 175.3 | -64.2 | 163 | 0 | 0 | 0 | 110.8 | D103 C104 V105 | D103-I107 WeakPolarHBondContact O-CG1 3.49Å; D103-I107 PolarHBondContact O-N 3.2Å; D103-I107 VanDerWaalsContact O-N 3.14Å; C104-I107 PolarHBondContact O-N 3.36Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 2.95Å |
| 108 | I | 63.7 | Low | 66.2 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.9 | -31.4 | 179 | -61.1 | 165.9 | 0 | 0 | 0 | 111.4 | C104 V105 K106 K110 | C104-I108 WeakPolarHBondContact O-CG1 3.4Å; C104-I108 PolarHBondContact O-N 3.23Å; V105-I108 PolarHBondContact O-N 3.14Å; K106-I108 VanDerWaalsContact C-N 3.35Å; I108-K110 PolarHBondContact O-N 3.08Å; I108-K110 VanDerWaalsContact O-N 3.08Å |
| 109 | K | 59.7 | Low | 64.9 | Low | 167 Ų | 167 | 127.9 Ų | 127.9 | 73% | 0.726 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 20.4 | 178.7 | -89.5 | -171.2 | 171.8 | -178 | 0 | 115.4 | V105 K106 | V105-K109 HydrophobicContact CG1-CD 4.42Å; V105-K109 WeakPolarHBondContact O-CB 3.47Å; V105-K109 PolarHBondContact O-N 3.47Å; K106-K109 PolarHBondContact O-N 2.91Å |
| 110 | K | 51.9 | Low | 63.8 | Low | 167 Ų | 167 | 130 Ų | 130 | 73% | 0.726 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -54.3 | 128.8 | 163.2 | -81.7 | -171.2 | 178.8 | -177.1 | 0 | 108 | I108 T112 | I108-K110 PolarHBondContact O-N 3.08Å; I108-K110 VanDerWaalsContact O-N 3.08Å; K110-T112 PolarHBondContact O-N 2.95Å |
| 111 | P | 53.4 | Low | 63 | Low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 69% | 0.689 | S | S | * | * | trans | -61.6 | 110.4 | -170.8 | 24.3 | -32.3 | 0 | 0 | 0 | 108.5 | R113 | P111-R113 VanDerWaalsContact C-N 3.34Å; P111-R113 PolarHBondContact O-N 3.07Å | ||
| 112 | T | 53.2 | Low | 62.1 | Low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | trans | -59.1 | 106.7 | 160.1 | 23.9 | 0 | 0 | 0 | 0 | 105.8 | K110 K114 | K110-T112 PolarHBondContact O-N 2.95Å; T112-K114 PolarHBondContact O-N 2.96Å; T112-K114 VanDerWaalsContact O-N 3.07Å | ||
| 113 | R | 49.3 | Very low | 60.8 | Low | 204 Ų | 204 | 132.5 Ų | 132.5 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | -42 | 117.5 | 172 | -166.6 | 177.1 | 176.8 | 172.5 | -0.4 | 107.2 | P111 D116 | P111-R113 VanDerWaalsContact C-N 3.34Å; P111-R113 PolarHBondContact O-N 3.07Å; R113-D116 IonicContact CZ-OD2 3.3Å; R113-D116 VanDerWaalsContact CZ-OD2 3.3Å; R113-D116 IonicContact NE-OD2 2.97Å; R113-D116 PolarHBondContact NE-OD2 3.17Å; R113-D116 IonicContact NH2-OD2 2.82Å; R113-D116 PolarHBondContact NH2-OD2 2.82Å | ||
| 114 | K | 54.9 | Low | 59.8 | Low | 181 Ų | 181 | 136.6 Ų | 136.6 | 79% | 0.787 | 73% | 0.734 | S | S | * | * | trans | -51.6 | 138.9 | 167.5 | -76.7 | 178.5 | 175.8 | 178.1 | 0 | 106.3 | T112 D116 | T112-K114 PolarHBondContact O-N 2.96Å; T112-K114 VanDerWaalsContact O-N 3.07Å; K114-D116 PolarHBondContact O-N 2.97Å | ||
| 115 | P | 51.9 | Low | 59.1 | Low | 126 Ų | 126 | 144.5 Ų | 144.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -57.6 | 112.6 | 169.5 | 23.6 | -30.1 | 0 | 0 | 0 | 106.9 | K117 | P115-K117 PolarHBondContact O-N 3.15Å; P115-K117 VanDerWaalsContact O-N 3.17Å | ||
| 116 | D | 55.3 | Low | 58.2 | Low | 93 Ų | 93 | 148.1 Ų | 148.1 | 50% | 0.497 | 79% | 0.788 | S | S | . | * | trans | -57.9 | 116.9 | 177.8 | -67.6 | -35.7 | 0 | 0 | 0 | 106.9 | R113 K114 D118 | R113-D116 IonicContact CZ-OD2 3.3Å; R113-D116 VanDerWaalsContact CZ-OD2 3.3Å; R113-D116 IonicContact NE-OD2 2.97Å; R113-D116 PolarHBondContact NE-OD2 3.17Å; R113-D116 IonicContact NH2-OD2 2.82Å; R113-D116 PolarHBondContact NH2-OD2 2.82Å; K114-D116 PolarHBondContact O-N 2.97Å; D116-D118 PolarHBondContact O-N 2.93Å; D116-D118 VanDerWaalsContact O-N 3.15Å | ||
| 117 | K | 52.7 | Low | 57.2 | Low | 201 Ų | 201 | 148.6 Ų | 148.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -78.9 | 73.7 | 165.9 | -86.9 | -173.8 | 168.8 | -173.1 | 0 | 107 | P115 | P115-K117 PolarHBondContact O-N 3.15Å; P115-K117 VanDerWaalsContact O-N 3.17Å | ||
| 118 | D | 55.5 | Low | 56.6 | Low | 133 Ų | 133 | 149.8 Ų | 149.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -156.1 | 120.7 | 170.9 | -60.8 | -62.3 | 0 | 0 | 0 | 103.7 | D116 | D116-D118 PolarHBondContact O-N 2.93Å; D116-D118 VanDerWaalsContact O-N 3.15Å | ||
| 119 | S | 58.1 | Low | 56.1 | Low | 114 Ų | 114 | 151.1 Ų | 151.1 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | cis | -169.2 | 146.2 | 49.7 | -51.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 120 | D | 58.9 | Low | 55.9 | Low | 168 Ų | 168 | 150.1 Ų | 150.1 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -52.9 | 139.4 | 164.4 | -58.1 | -56.6 | 0 | 0 | 0 | 111.6 | ||||
| 121 | S | 63.4 | Low | 56.2 | Low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -158.2 | 113.1 | 156.1 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 122 | D | 62.1 | Low | 56.4 | Low | 163 Ų | 163 | 150.8 Ų | 150.8 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -52 | 150.3 | 179.7 | -68.5 | -56.3 | 0 | 0 | 0 | 116 | ||||
| 123 | G | 53.3 | Low | 56.6 | Low | 77 Ų | 77 | 151.8 Ų | 151.8 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | 106.6 | 94.8 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 124 | N | 60.6 | Low | 57.2 | Low | 159 Ų | 159 | 147.4 Ų | 147.4 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | trans | -161.6 | 124.3 | 134.8 | -143.3 | -2.7 | 0 | 0 | 0 | 113.1 | ||||
| 125 | N | 60.3 | Low | 57.5 | Low | 235 Ų | 235 | 144.4 Ų | 144.4 | 100% | 1.257 | 84% | 0.836 | S | S | * | * | trans | 54.7 | 0 | 177.8 | -91.3 | 4.2 | 0 | 0 | 0 | 120.3 |
Retrieved 125 of 125 residues in 127.4 ms
(Link to these results)