| 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 | 51.9 | Low | 68.4 | Low | 230 Ų | 230 | 127 Ų | 127 | 100% | 1.133 | 65% | 0.645 | S | S | * | * | 0 | 50.1 | 0 | -71.6 | -163 | 174.9 | 0 | 0 | 110.1 | |||||
| 2 | E | 58.7 | Low | 69.1 | Low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.794 | 65% | 0.649 | S | S | * | * | trans | -101.9 | -11.5 | -169.5 | -64.9 | 167 | 134.1 | 0 | 0 | 112.8 | M4 H5 | E2-M4 PolarHBondContact O-N 3Å; E2-H5 PolarHBondContact O-N 3.41Å | ||
| 3 | T | 67.8 | Low | 69.7 | Low | 86 Ų | 86 | 128.8 Ų | 128.8 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.8 | -33.9 | -174.6 | 54.6 | 0 | 0 | 0 | 0 | 113 | H5 E6 L7 | T3-H5 PolarHBondContact O-N 2.77Å; T3-H5 VanDerWaalsContact O-N 3.14Å; T3-E6 PolarHBondContact O-N 3.48Å; T3-L7 WeakPolarHBondContact O-CD1 3.44Å; T3-L7 PolarHBondContact O-N 3.22Å |
| 4 | M | 61.2 | Low | 70 | Confident | 139 Ų | 139 | 127 Ų | 127 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.7 | -27.7 | -176.8 | -65.3 | -64.3 | 178.4 | 0 | 0 | 113.5 | E2 | E2-M4 PolarHBondContact O-N 3Å |
| 5 | H | 64.8 | Low | 70 | Confident | 159 Ų | 159 | 127.3 Ų | 127.3 | 74% | 0.736 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.9 | -18.8 | 179.7 | -165.9 | -92 | 0 | 0 | 0 | 113 | E2 T3 P9 | E2-H5 PolarHBondContact O-N 3.41Å; T3-H5 PolarHBondContact O-N 2.77Å; T3-H5 VanDerWaalsContact O-N 3.14Å; H5-P9 WeakPolarHBondContact O-CD 3.27Å; H5-P9 VanDerWaalsContact O-CG 3.27Å; H5-P9 WeakPolarHBondContact O-CG 3.31Å |
| 6 | E | 66.3 | Low | 70 | Confident | 140 Ų | 140 | 123.9 Ų | 123.9 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -97.4 | -25.8 | 177.5 | -65.4 | -174.6 | 168.1 | 0 | 0 | 113 | T3 I8 P9 F10 | T3-E6 PolarHBondContact O-N 3.48Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.71Å; E6-P9 WeakPolarHBondContact O-CD 3.04Å; E6-F10 VanDerWaalsContact O-CB 3.29Å; E6-F10 WeakPolarHBondContact O-CB 3.38Å; E6-F10 PolarHBondContact O-N 3.32Å; E6-F10 VanDerWaalsContact O-N 3.07Å |
| 7 | L | 71.7 | Confident | 70.2 | Confident | 100 Ų | 100 | 124.3 Ų | 124.3 | 52% | 0.524 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.4 | -38.5 | 177.4 | -93.4 | 79.6 | 0 | 0 | 0 | 112.5 | T3 F10 A11 | T3-L7 WeakPolarHBondContact O-CD1 3.44Å; T3-L7 PolarHBondContact O-N 3.22Å; L7-F10 PolarHBondContact O-N 3.05Å; L7-A11 WeakPolarHBondContact O-CB 3.43Å; L7-A11 PolarHBondContact O-N 2.92Å |
| 8 | I | 75.9 | Confident | 70.3 | Confident | 125 Ų | 125 | 127.6 Ų | 127.6 | 64% | 0.641 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69 | -49.3 | -178.5 | -61 | 166.9 | 0 | 0 | 0 | 111.4 | E6 F10 A11 K12 | E6-I8 VanDerWaalsContact C-N 3.34Å; E6-I8 PolarHBondContact O-N 2.71Å; I8-F10 VanDerWaalsContact C-N 3.3Å; I8-F10 PolarHBondContact O-N 3.46Å; I8-A11 PolarHBondContact O-N 2.81Å; I8-K12 VanDerWaalsContact O-CB 3.3Å; I8-K12 WeakPolarHBondContact O-CB 3.41Å; I8-K12 PolarHBondContact O-N 2.8Å |
| 9 | P | 78.4 | Confident | 70.7 | Confident | 68 Ų | 68 | 124.9 Ų | 124.9 | 44% | 0.442 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.8 | -39.5 | 171.4 | -23.6 | 30.6 | 0 | 0 | 0 | 113.3 | H5 E6 K12 E13 | H5-P9 WeakPolarHBondContact O-CD 3.27Å; H5-P9 VanDerWaalsContact O-CG 3.27Å; H5-P9 WeakPolarHBondContact O-CG 3.31Å; E6-P9 WeakPolarHBondContact O-CD 3.04Å; P9-K12 WeakPolarHBondContact O-CB 3.43Å; P9-K12 PolarHBondContact O-N 3.2Å; P9-E13 WeakPolarHBondContact O-CB 3.21Å; P9-E13 PolarHBondContact O-N 3.35Å |
| 10 | F | 77.5 | Confident | 71.3 | Confident | 135 Ų | 135 | 123.4 Ų | 123.4 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -48.7 | 179.7 | 178.3 | -113 | 0 | 0 | 0 | 112.1 | E6 L7 I8 K12 E13 M14 | E6-F10 VanDerWaalsContact O-CB 3.29Å; E6-F10 WeakPolarHBondContact O-CB 3.38Å; E6-F10 PolarHBondContact O-N 3.32Å; E6-F10 VanDerWaalsContact O-N 3.07Å; L7-F10 PolarHBondContact O-N 3.05Å; I8-F10 VanDerWaalsContact C-N 3.3Å; I8-F10 PolarHBondContact O-N 3.46Å; F10-K12 VanDerWaalsContact C-N 3.27Å; F10-K12 PolarHBondContact O-N 3.37Å; F10-E13 PolarHBondContact O-N 2.78Å; F10-M14 HydrophobicContact CD1-CG 4.47Å; F10-M14 HydrophobicContact CD1-SD 3.8Å; F10-M14 HydrophobicContact CD2-CG 4.35Å; F10-M14 HydrophobicContact CD2-SD 4.48Å; F10-M14 HydrophobicContact CE1-CG 4.21Å; F10-M14 HydrophobicContact CE1-SD 3.17Å; F10-M14 WeakPolarHBondContact CE1-SD 3.2Å; F10-M14 HydrophobicContact CE2-CG 4.05Å; F10-M14 HydrophobicContact CE2-SD 3.95Å; F10-M14 HydrophobicContact CG-SD 4.43Å; F10-M14 HydrophobicContact CZ-CE 4.31Å; F10-M14 HydrophobicContact CZ-CG 3.99Å; F10-M14 HydrophobicContact CZ-SD 3.26Å; F10-M14 WeakPolarHBondContact CZ-SD 3.29Å; F10-M14 WeakPolarHBondContact O-CB 2.75Å; F10-M14 VanDerWaalsContact O-CG 3.29Å; F10-M14 WeakPolarHBondContact O-CG 3.48Å; F10-M14 PolarHBondContact O-N 2.94Å |
| 11 | A | 78.1 | Confident | 71.9 | Confident | 45 Ų | 45 | 127.1 Ų | 127.1 | 37% | 0.372 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.4 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L7 I8 M14 L15 | L7-A11 WeakPolarHBondContact O-CB 3.43Å; L7-A11 PolarHBondContact O-N 2.92Å; I8-A11 PolarHBondContact O-N 2.81Å; A11-M14 PolarHBondContact O-N 3.01Å; A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 WeakPolarHBondContact O-CD1 3.36Å; A11-L15 WeakPolarHBondContact O-CG 3.2Å; A11-L15 PolarHBondContact O-N 3.15Å |
| 12 | K | 77.1 | Confident | 73.6 | Confident | 158 Ų | 158 | 123.4 Ų | 123.4 | 69% | 0.687 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.8 | -41 | 175.8 | -176.8 | 178.2 | 173.6 | -177.3 | 0 | 112.3 | I8 P9 F10 L15 S16 | I8-K12 VanDerWaalsContact O-CB 3.3Å; I8-K12 WeakPolarHBondContact O-CB 3.41Å; I8-K12 PolarHBondContact O-N 2.8Å; P9-K12 WeakPolarHBondContact O-CB 3.43Å; P9-K12 PolarHBondContact O-N 3.2Å; F10-K12 VanDerWaalsContact C-N 3.27Å; F10-K12 PolarHBondContact O-N 3.37Å; K12-L15 PolarHBondContact O-N 2.8Å; K12-S16 WeakPolarHBondContact O-CB 3.15Å; K12-S16 PolarHBondContact O-N 3.29Å; K12-S16 PolarHBondContact O-OG 3.49Å |
| 13 | E | 77.3 | Confident | 75 | Confident | 119 Ų | 119 | 121.1 Ų | 121.1 | 56% | 0.556 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.2 | -30.7 | 176.2 | -168.5 | 59.3 | -128 | 0 | 0 | 112.7 | P9 F10 S16 Q17 | P9-E13 WeakPolarHBondContact O-CB 3.21Å; P9-E13 PolarHBondContact O-N 3.35Å; F10-E13 PolarHBondContact O-N 2.78Å; E13-S16 WeakPolarHBondContact CA-OG 3.38Å; E13-S16 PolarHBondContact O-OG 2.88Å; E13-S16 PolarHBondContact OE1-OG 3.34Å; E13-Q17 WeakPolarHBondContact O-CG 3.37Å; E13-Q17 PolarHBondContact O-N 2.83Å; E13-Q17 PolarHBondContact O-NE2 3.44Å |
| 14 | M | 72.7 | Confident | 76.1 | Confident | 104 Ų | 104 | 120 Ų | 120 | 51% | 0.512 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.7 | -31.6 | 172.5 | -71.2 | -173.2 | 82.6 | 0 | 0 | 112.3 | F10 A11 | F10-M14 HydrophobicContact CD1-CG 4.47Å; F10-M14 HydrophobicContact CD1-SD 3.8Å; F10-M14 HydrophobicContact CD2-CG 4.35Å; F10-M14 HydrophobicContact CD2-SD 4.48Å; F10-M14 HydrophobicContact CE1-CG 4.21Å; F10-M14 HydrophobicContact CE1-SD 3.17Å; F10-M14 WeakPolarHBondContact CE1-SD 3.2Å; F10-M14 HydrophobicContact CE2-CG 4.05Å; F10-M14 HydrophobicContact CE2-SD 3.95Å; F10-M14 HydrophobicContact CG-SD 4.43Å; F10-M14 HydrophobicContact CZ-CE 4.31Å; F10-M14 HydrophobicContact CZ-CG 3.99Å; F10-M14 HydrophobicContact CZ-SD 3.26Å; F10-M14 WeakPolarHBondContact CZ-SD 3.29Å; F10-M14 WeakPolarHBondContact O-CB 2.75Å; F10-M14 VanDerWaalsContact O-CG 3.29Å; F10-M14 WeakPolarHBondContact O-CG 3.48Å; F10-M14 PolarHBondContact O-N 2.94Å; A11-M14 PolarHBondContact O-N 3.01Å |
| 15 | L | 70.1 | Confident | 77.6 | Confident | 131 Ų | 131 | 120.7 Ų | 120.7 | 69% | 0.686 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -84 | -26.7 | 177.9 | -68.1 | 168.9 | 0 | 0 | 0 | 112.7 | A11 K12 Q17 | A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 WeakPolarHBondContact O-CD1 3.36Å; A11-L15 WeakPolarHBondContact O-CG 3.2Å; A11-L15 PolarHBondContact O-N 3.15Å; K12-L15 PolarHBondContact O-N 2.8Å; L15-Q17 PolarHBondContact O-N 2.87Å |
| 16 | S | 70.6 | Confident | 79 | Confident | 74 Ų | 74 | 118.2 Ų | 118.2 | 52% | 0.517 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.9 | -27.8 | 171.8 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | K12 E13 K18 | K12-S16 WeakPolarHBondContact O-CB 3.15Å; K12-S16 PolarHBondContact O-N 3.29Å; K12-S16 PolarHBondContact O-OG 3.49Å; E13-S16 WeakPolarHBondContact CA-OG 3.38Å; E13-S16 PolarHBondContact O-OG 2.88Å; E13-S16 PolarHBondContact OE1-OG 3.34Å; S16-K18 VanDerWaalsContact C-N 3.28Å; S16-K18 PolarHBondContact O-N 3.04Å |
| 17 | Q | 73.4 | Confident | 80.4 | Confident | 130 Ų | 130 | 119.3 Ų | 119.3 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -66.7 | 88.1 | 166.7 | -70.5 | 175.4 | 65.4 | 0 | 0 | 109.5 | E13 L15 P19 | E13-Q17 WeakPolarHBondContact O-CG 3.37Å; E13-Q17 PolarHBondContact O-N 2.83Å; E13-Q17 PolarHBondContact O-NE2 3.44Å; L15-Q17 PolarHBondContact O-N 2.87Å; Q17-P19 WeakPolarHBondContact O-CD 3.44Å |
| 18 | K | 72.4 | Confident | 81.5 | Confident | 184 Ų | 184 | 119.7 Ų | 119.7 | 80% | 0.8 | 58% | 0.582 | S | S | * | * | trans | -31.7 | 104.3 | -175.3 | -173.8 | 158.7 | -176.8 | 159.3 | 0 | 112.9 | S16 N20 | S16-K18 VanDerWaalsContact C-N 3.28Å; S16-K18 PolarHBondContact O-N 3.04Å; K18-N20 PolarHBondContact O-N 3.43Å | ||
| 19 | P | 77.8 | Confident | 82.6 | Confident | 77 Ų | 77 | 119.4 Ų | 119.4 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | trans | -62.7 | 137.9 | -176.8 | 22.6 | -32.2 | 0 | 0 | 0 | 110.2 | Q17 R21 V24 | Q17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-R21 PolarHBondContact O-N 3.32Å; P19-V24 HydrophobicContact CB-CG2 4.03Å; P19-V24 HydrophobicContact CG-CG2 4.29Å | ||
| 20 | N | 81.8 | Confident | 83.5 | Confident | 94 Ų | 94 | 118 Ų | 118 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | trans | -62.7 | 123.1 | 179 | -170.7 | -46.2 | 0 | 0 | 0 | 108.9 | K18 K22 M23 V24 | K18-N20 PolarHBondContact O-N 3.43Å; N20-K22 PolarHBondContact O-N 2.91Å; N20-K22 VanDerWaalsContact OD1-CB 3.31Å; N20-K22 WeakPolarHBondContact OD1-CB 3.17Å; N20-K22 WeakPolarHBondContact OD1-CG 3.44Å; N20-K22 PolarHBondContact OD1-N 2.89Å; N20-M23 HydrophobicContact CB-CB 4.41Å; N20-M23 HydrophobicContact CB-CG 4.15Å; N20-M23 WeakPolarHBondContact O-CA 3.48Å; N20-M23 WeakPolarHBondContact O-CB 3.24Å; N20-M23 PolarHBondContact O-N 3.41Å; N20-V24 PolarHBondContact O-N 3.4Å; N20-V24 VanDerWaalsContact O-N 3.16Å | ||
| 21 | R | 84.9 | Confident | 84.4 | Confident | 202 Ų | 202 | 113.6 Ų | 113.6 | 76% | 0.762 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -51.5 | -28.1 | 179.7 | -71.4 | -178.8 | 174 | 172.8 | -2.8 | 113 | P19 K25 | P19-R21 PolarHBondContact O-N 3.32Å; R21-K25 VanDerWaalsContact O-CG 3.27Å; R21-K25 WeakPolarHBondContact O-CG 3.36Å; R21-K25 PolarHBondContact O-N 3.48Å; R21-K25 VanDerWaalsContact O-N 3.1Å |
| 22 | K | 88.1 | Confident | 85.3 | Confident | 152 Ų | 152 | 115.1 Ų | 115.1 | 66% | 0.661 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.5 | -40.8 | 174.6 | -61.5 | -178.7 | -179.2 | -179.6 | 0 | 112.4 | N20 K25 L26 | N20-K22 PolarHBondContact O-N 2.91Å; N20-K22 VanDerWaalsContact OD1-CB 3.31Å; N20-K22 WeakPolarHBondContact OD1-CB 3.17Å; N20-K22 WeakPolarHBondContact OD1-CG 3.44Å; N20-K22 PolarHBondContact OD1-N 2.89Å; K22-K25 PolarHBondContact O-N 3.32Å; K22-L26 WeakPolarHBondContact O-CG 3.32Å; K22-L26 PolarHBondContact O-N 3.38Å |
| 23 | M | 88 | Confident | 86.3 | Confident | 121 Ų | 121 | 113.6 Ų | 113.6 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -43.4 | 176 | -72 | -70.8 | 122.6 | 0 | 0 | 111.1 | N20 K25 L26 Y27 | N20-M23 HydrophobicContact CB-CB 4.41Å; N20-M23 HydrophobicContact CB-CG 4.15Å; N20-M23 WeakPolarHBondContact O-CA 3.48Å; N20-M23 WeakPolarHBondContact O-CB 3.24Å; N20-M23 PolarHBondContact O-N 3.41Å; M23-K25 VanDerWaalsContact C-N 3.29Å; M23-K25 PolarHBondContact O-N 2.85Å; M23-L26 HydrophobicContact CE-CD1 3.93Å; M23-L26 PolarHBondContact O-N 2.96Å; M23-Y27 WeakPolarHBondContact O-CB 3.25Å; M23-Y27 PolarHBondContact O-N 2.93Å |
| 24 | V | 89.8 | Confident | 87.3 | Confident | 63 Ų | 63 | 110.7 Ų | 110.7 | 38% | 0.382 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.3 | -41.9 | 175.7 | -179 | 0 | 0 | 0 | 0 | 110.9 | P19 N20 Y27 M28 | P19-V24 HydrophobicContact CB-CG2 4.03Å; P19-V24 HydrophobicContact CG-CG2 4.29Å; N20-V24 PolarHBondContact O-N 3.4Å; N20-V24 VanDerWaalsContact O-N 3.16Å; V24-Y27 PolarHBondContact O-N 2.9Å; V24-M28 HydrophobicContact CG1-CG 4.38Å; V24-M28 WeakPolarHBondContact O-CB 3.35Å; V24-M28 WeakPolarHBondContact O-CG 3.13Å; V24-M28 PolarHBondContact O-N 3.44Å |
| 25 | K | 92.6 | Very high | 88.5 | Confident | 154 Ų | 154 | 112.1 Ų | 112.1 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.9 | -43.4 | 176.4 | -76.5 | 176.7 | 178.9 | -169.4 | 0 | 113 | R21 K22 M23 M28 L29 | R21-K25 VanDerWaalsContact O-CG 3.27Å; R21-K25 WeakPolarHBondContact O-CG 3.36Å; R21-K25 PolarHBondContact O-N 3.48Å; R21-K25 VanDerWaalsContact O-N 3.1Å; K22-K25 PolarHBondContact O-N 3.32Å; M23-K25 VanDerWaalsContact C-N 3.29Å; M23-K25 PolarHBondContact O-N 2.85Å; K25-M28 PolarHBondContact O-N 2.95Å; K25-L29 WeakPolarHBondContact O-CB 3.49Å; K25-L29 PolarHBondContact O-N 2.89Å |
| 26 | L | 95.4 | Very high | 89.8 | Confident | 106 Ų | 106 | 111.4 Ų | 111.4 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 177.4 | -73 | 171.6 | 0 | 0 | 0 | 111.6 | K22 M23 L29 G30 | K22-L26 WeakPolarHBondContact O-CG 3.32Å; K22-L26 PolarHBondContact O-N 3.38Å; M23-L26 HydrophobicContact CE-CD1 3.93Å; M23-L26 PolarHBondContact O-N 2.96Å; L26-L29 PolarHBondContact O-N 3.36Å; L26-G30 PolarHBondContact O-N 3.42Å |
| 27 | Y | 93.9 | Very high | 91 | Very high | 164 Ų | 164 | 110 Ų | 110 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.7 | -46.1 | 175.8 | -175.4 | -101.7 | 0 | 0 | 0 | 111.1 | M23 V24 L29 G30 S31 | M23-Y27 WeakPolarHBondContact O-CB 3.25Å; M23-Y27 PolarHBondContact O-N 2.93Å; V24-Y27 PolarHBondContact O-N 2.9Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 3.1Å; Y27-G30 PolarHBondContact O-N 3.24Å; Y27-S31 WeakPolarHBondContact O-CB 2.82Å; Y27-S31 PolarHBondContact O-N 2.89Å; Y27-S31 PolarHBondContact O-OG 2.98Å |
| 28 | M | 96.1 | Very high | 92.1 | Very high | 108 Ų | 108 | 108.7 Ų | 108.7 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -43.8 | 175.4 | -73 | -69.8 | 137.8 | 0 | 0 | 112 | V24 K25 S31 V32 | V24-M28 HydrophobicContact CG1-CG 4.38Å; V24-M28 WeakPolarHBondContact O-CB 3.35Å; V24-M28 WeakPolarHBondContact O-CG 3.13Å; V24-M28 PolarHBondContact O-N 3.44Å; K25-M28 PolarHBondContact O-N 2.95Å; M28-S31 PolarHBondContact O-N 2.9Å; M28-V32 WeakPolarHBondContact O-CB 3.22Å; M28-V32 VanDerWaalsContact O-CG2 3.25Å; M28-V32 WeakPolarHBondContact O-CG2 3.41Å; M28-V32 PolarHBondContact O-N 3.37Å |
| 29 | L | 97.7 | Very high | 93.2 | Very high | 118 Ų | 118 | 102.6 Ų | 102.6 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.3 | -44.9 | 176.4 | -175.1 | 63.6 | 0 | 0 | 0 | 111.6 | K25 L26 Y27 V32 L33 | K25-L29 WeakPolarHBondContact O-CB 3.49Å; K25-L29 PolarHBondContact O-N 2.89Å; L26-L29 PolarHBondContact O-N 3.36Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 3.1Å; L29-V32 PolarHBondContact O-N 2.77Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.23Å |
| 30 | G | 97.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 103.3 Ų | 103.3 | 39% | 0.392 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L26 Y27 L33 A34 | L26-G30 PolarHBondContact O-N 3.42Å; Y27-G30 PolarHBondContact O-N 3.24Å; G30-L33 PolarHBondContact O-N 2.86Å; G30-A34 WeakPolarHBondContact O-CB 3.39Å; G30-A34 PolarHBondContact O-N 3.49Å |
| 31 | S | 97.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 100.1 Ų | 100.1 | 31% | 0.308 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.4 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | Y27 M28 A34 F35 | Y27-S31 WeakPolarHBondContact O-CB 2.82Å; Y27-S31 PolarHBondContact O-N 2.89Å; Y27-S31 PolarHBondContact O-OG 2.98Å; M28-S31 PolarHBondContact O-N 2.9Å; S31-A34 PolarHBondContact O-N 3.34Å; S31-F35 WeakPolarHBondContact O-CB 3.49Å; S31-F35 PolarHBondContact O-N 3.42Å |
| 32 | V | 98 | Very high | 94.6 | Very high | 76 Ų | 76 | 95.3 Ų | 95.3 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | M28 L29 F35 F36 | M28-V32 WeakPolarHBondContact O-CB 3.22Å; M28-V32 VanDerWaalsContact O-CG2 3.25Å; M28-V32 WeakPolarHBondContact O-CG2 3.41Å; M28-V32 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 2.77Å; V32-F35 PolarHBondContact O-N 3.14Å; V32-F36 HydrophobicContact CG1-CD2 3.8Å; V32-F36 HydrophobicContact CG1-CE2 3.42Å; V32-F36 VanDerWaalsContact CG1-CE2 3.42Å; V32-F36 HydrophobicContact CG1-CZ 4.47Å; V32-F36 WeakPolarHBondContact O-CD2 3.46Å; V32-F36 PolarHBondContact O-N 3.33Å |
| 33 | L | 97.4 | Very high | 94.7 | Very high | 127 Ų | 127 | 91.6 Ų | 91.6 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.3 | -45.4 | 176.5 | -179.4 | 63 | 0 | 0 | 0 | 112.1 | L29 G30 F35 F36 G37 | L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.23Å; G30-L33 PolarHBondContact O-N 2.86Å; L33-F35 VanDerWaalsContact C-N 3.33Å; L33-F35 PolarHBondContact O-N 3.48Å; L33-F36 PolarHBondContact O-N 3.16Å; L33-G37 PolarHBondContact O-N 3.42Å |
| 34 | A | 97.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 91.8 Ų | 91.8 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G30 S31 G37 V38 | G30-A34 WeakPolarHBondContact O-CB 3.39Å; G30-A34 PolarHBondContact O-N 3.49Å; S31-A34 PolarHBondContact O-N 3.34Å; A34-G37 PolarHBondContact O-N 3.44Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 2.93Å |
| 35 | F | 97.8 | Very high | 94.2 | Very high | 133 Ų | 133 | 93.3 Ų | 93.3 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 174.8 | 179.7 | -101.2 | 0 | 0 | 0 | 111.4 | S31 V32 L33 G37 V38 V39 | S31-F35 WeakPolarHBondContact O-CB 3.49Å; S31-F35 PolarHBondContact O-N 3.42Å; V32-F35 PolarHBondContact O-N 3.14Å; L33-F35 VanDerWaalsContact C-N 3.33Å; L33-F35 PolarHBondContact O-N 3.48Å; F35-G37 PolarHBondContact O-N 3.4Å; F35-V38 PolarHBondContact O-N 3.1Å; F35-V39 HydrophobicContact CD1-CG2 4.19Å; F35-V39 HydrophobicContact CD2-CG2 4.34Å; F35-V39 HydrophobicContact CE1-CG2 3.8Å; F35-V39 HydrophobicContact CE2-CG2 3.95Å; F35-V39 HydrophobicContact CG-CG2 4.45Å; F35-V39 HydrophobicContact CZ-CG2 3.67Å; F35-V39 WeakPolarHBondContact O-CB 3.02Å; F35-V39 VanDerWaalsContact O-CG2 3.29Å; F35-V39 WeakPolarHBondContact O-CG2 3.46Å; F35-V39 PolarHBondContact O-N 3.39Å |
| 36 | F | 97.1 | Very high | 93.7 | Very high | 117 Ų | 117 | 89.8 Ų | 89.8 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 173.9 | -74.6 | -60.2 | 0 | 0 | 0 | 112.2 | V32 L33 V38 V39 I40 | V32-F36 HydrophobicContact CG1-CD2 3.8Å; V32-F36 HydrophobicContact CG1-CE2 3.42Å; V32-F36 VanDerWaalsContact CG1-CE2 3.42Å; V32-F36 HydrophobicContact CG1-CZ 4.47Å; V32-F36 WeakPolarHBondContact O-CD2 3.46Å; V32-F36 PolarHBondContact O-N 3.33Å; L33-F36 PolarHBondContact O-N 3.16Å; F36-V38 VanDerWaalsContact C-N 3.34Å; F36-V38 PolarHBondContact O-N 3.02Å; F36-V39 PolarHBondContact O-N 3.25Å; F36-I40 HydrophobicContact CB-CD1 4.47Å; F36-I40 WeakPolarHBondContact O-CB 3.46Å; F36-I40 WeakPolarHBondContact O-CD1 3.33Å; F36-I40 WeakPolarHBondContact O-CG1 3.27Å; F36-I40 PolarHBondContact O-N 3.43Å |
| 37 | G | 96.1 | Very high | 92.6 | Very high | 44 Ų | 44 | 87.5 Ų | 87.5 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L33 A34 F35 G41 | L33-G37 PolarHBondContact O-N 3.42Å; A34-G37 PolarHBondContact O-N 3.44Å; F35-G37 PolarHBondContact O-N 3.4Å; G37-G41 PolarHBondContact O-N 3.49Å |
| 38 | V | 96.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 82.7 Ų | 82.7 | 62% | 0.618 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.9 | -43.8 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | A34 F35 F36 L42 | A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 2.93Å; F35-V38 PolarHBondContact O-N 3.1Å; F36-V38 VanDerWaalsContact C-N 3.34Å; F36-V38 PolarHBondContact O-N 3.02Å; V38-L42 WeakPolarHBondContact O-CB 3.4Å; V38-L42 PolarHBondContact O-N 2.86Å |
| 39 | V | 95.8 | Very high | 89.6 | Confident | 56 Ų | 56 | 82.2 Ų | 82.2 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 178.7 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | F35 F36 L42 V43 | F35-V39 HydrophobicContact CD1-CG2 4.19Å; F35-V39 HydrophobicContact CD2-CG2 4.34Å; F35-V39 HydrophobicContact CE1-CG2 3.8Å; F35-V39 HydrophobicContact CE2-CG2 3.95Å; F35-V39 HydrophobicContact CG-CG2 4.45Å; F35-V39 HydrophobicContact CZ-CG2 3.67Å; F35-V39 WeakPolarHBondContact O-CB 3.02Å; F35-V39 VanDerWaalsContact O-CG2 3.29Å; F35-V39 WeakPolarHBondContact O-CG2 3.46Å; F35-V39 PolarHBondContact O-N 3.39Å; F36-V39 PolarHBondContact O-N 3.25Å; V39-L42 PolarHBondContact O-N 3.19Å; V39-V43 HydrophobicContact CG1-CG2 4.31Å; V39-V43 WeakPolarHBondContact O-CB 3.48Å; V39-V43 WeakPolarHBondContact O-CG2 3.3Å; V39-V43 PolarHBondContact O-N 3.01Å |
| 40 | I | 91.1 | Very high | 87.7 | Confident | 93 Ų | 93 | 85.2 Ų | 85.2 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -50.2 | 177.6 | -67.4 | 164.9 | 0 | 0 | 0 | 110 | F36 L42 V43 E44 | F36-I40 HydrophobicContact CB-CD1 4.47Å; F36-I40 WeakPolarHBondContact O-CB 3.46Å; F36-I40 WeakPolarHBondContact O-CD1 3.33Å; F36-I40 WeakPolarHBondContact O-CG1 3.27Å; F36-I40 PolarHBondContact O-N 3.43Å; I40-L42 VanDerWaalsContact C-N 3.28Å; I40-L42 PolarHBondContact O-N 3.46Å; I40-V43 PolarHBondContact O-N 3.36Å; I40-E44 HydrophobicContact CG2-CG 4.46Å; I40-E44 WeakPolarHBondContact O-CB 3.15Å; I40-E44 WeakPolarHBondContact O-CG 3.35Å; I40-E44 PolarHBondContact O-N 3.33Å |
| 41 | G | 91.3 | Very high | 85.9 | Confident | 27 Ų | 27 | 88 Ų | 88 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -33.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | G37 T45 | G37-G41 PolarHBondContact O-N 3.49Å; G41-T45 WeakPolarHBondContact O-CB 3.49Å; G41-T45 VanDerWaalsContact O-CG2 3.24Å; G41-T45 WeakPolarHBondContact O-CG2 3.45Å; G41-T45 PolarHBondContact O-N 2.92Å; G41-T45 PolarHBondContact O-OG1 3.45Å |
| 42 | L | 91.7 | Very high | 83.7 | Confident | 101 Ų | 101 | 91.1 Ų | 91.1 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -46.4 | 173.6 | -175.2 | 64.6 | 0 | 0 | 0 | 110.8 | V38 V39 I40 E44 T45 V46 | V38-L42 WeakPolarHBondContact O-CB 3.4Å; V38-L42 PolarHBondContact O-N 2.86Å; V39-L42 PolarHBondContact O-N 3.19Å; I40-L42 VanDerWaalsContact C-N 3.28Å; I40-L42 PolarHBondContact O-N 3.46Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 2.83Å; L42-T45 WeakPolarHBondContact CA-OG1 3.41Å; L42-T45 PolarHBondContact O-N 3.33Å; L42-T45 VanDerWaalsContact O-N 3.15Å; L42-T45 PolarHBondContact O-OG1 3.07Å; L42-V46 HydrophobicContact CD1-CG1 3.74Å; L42-V46 HydrophobicContact CG-CG1 4.14Å; L42-V46 WeakPolarHBondContact O-CG1 3.27Å; L42-V46 VanDerWaalsContact O-CG2 3.27Å; L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 2.96Å |
| 43 | V | 89.8 | Confident | 81.7 | Confident | 74 Ų | 74 | 96.9 Ų | 96.9 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.8 | -44.9 | 175.5 | 168.9 | 0 | 0 | 0 | 0 | 110 | V39 I40 V46 C47 | V39-V43 HydrophobicContact CG1-CG2 4.31Å; V39-V43 WeakPolarHBondContact O-CB 3.48Å; V39-V43 WeakPolarHBondContact O-CG2 3.3Å; V39-V43 PolarHBondContact O-N 3.01Å; I40-V43 PolarHBondContact O-N 3.36Å; V43-V46 PolarHBondContact O-N 2.92Å; V43-C47 HydrophobicContact CG1-CB 4.48Å; V43-C47 WeakPolarHBondContact O-CA 3.29Å; V43-C47 WeakPolarHBondContact O-CB 2.89Å; V43-C47 PolarHBondContact O-N 3.07Å; V43-C47 PolarHBondContact O-SG 2.83Å; V43-C47 VanDerWaalsContact O-SG 3.41Å |
| 44 | E | 81.8 | Confident | 79.6 | Confident | 124 Ų | 124 | 99.9 Ų | 99.9 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.7 | -49.4 | 172.9 | -74 | 175.2 | 179.3 | 0 | 0 | 110.6 | I40 L42 V46 S48 | I40-E44 HydrophobicContact CG2-CG 4.46Å; I40-E44 WeakPolarHBondContact O-CB 3.15Å; I40-E44 WeakPolarHBondContact O-CG 3.35Å; I40-E44 PolarHBondContact O-N 3.33Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 2.83Å; E44-V46 PolarHBondContact O-N 3.07Å; E44-S48 WeakPolarHBondContact O-CA 3.31Å; E44-S48 WeakPolarHBondContact O-CB 3.37Å; E44-S48 PolarHBondContact O-N 2.96Å |
| 45 | T | 85.3 | Confident | 77.3 | Confident | 96 Ų | 96 | 106.2 Ų | 106.2 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.3 | -35 | -179.4 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | G41 L42 P49 | G41-T45 WeakPolarHBondContact O-CB 3.49Å; G41-T45 VanDerWaalsContact O-CG2 3.24Å; G41-T45 WeakPolarHBondContact O-CG2 3.45Å; G41-T45 PolarHBondContact O-N 2.92Å; G41-T45 PolarHBondContact O-OG1 3.45Å; L42-T45 WeakPolarHBondContact CA-OG1 3.41Å; L42-T45 PolarHBondContact O-N 3.33Å; L42-T45 VanDerWaalsContact O-N 3.15Å; L42-T45 PolarHBondContact O-OG1 3.07Å; T45-P49 WeakPolarHBondContact O-CD 3.36Å |
| 46 | V | 84.2 | Confident | 75 | Confident | 80 Ų | 80 | 107.5 Ų | 107.5 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -89.3 | -24.7 | -178.7 | -53.6 | 0 | 0 | 0 | 0 | 113.5 | L42 V43 E44 P49 | L42-V46 HydrophobicContact CD1-CG1 3.74Å; L42-V46 HydrophobicContact CG-CG1 4.14Å; L42-V46 WeakPolarHBondContact O-CG1 3.27Å; L42-V46 VanDerWaalsContact O-CG2 3.27Å; L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 2.96Å; V43-V46 PolarHBondContact O-N 2.92Å; E44-V46 PolarHBondContact O-N 3.07Å; V46-P49 WeakPolarHBondContact O-CD 3.46Å; V46-P49 VanDerWaalsContact O-CG 3.31Å; V46-P49 WeakPolarHBondContact O-CG 3.47Å |
| 47 | C | 72 | Confident | 72.8 | Confident | 58 Ų | 58 | 110.6 Ų | 110.6 | 39% | 0.392 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -94.8 | -18.1 | 172.5 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | V43 P49 F50 T51 | V43-C47 HydrophobicContact CG1-CB 4.48Å; V43-C47 WeakPolarHBondContact O-CA 3.29Å; V43-C47 WeakPolarHBondContact O-CB 2.89Å; V43-C47 PolarHBondContact O-N 3.07Å; V43-C47 PolarHBondContact O-SG 2.83Å; V43-C47 VanDerWaalsContact O-SG 3.41Å; C47-P49 VanDerWaalsContact C-CD 3.45Å; C47-F50 WeakPolarHBondContact O-CA 3.47Å; C47-F50 WeakPolarHBondContact O-CB 3.39Å; C47-F50 PolarHBondContact O-N 3.42Å; C47-T51 PolarHBondContact O-N 3.2Å |
| 48 | S | 62.8 | Low | 70.7 | Confident | 63 Ų | 63 | 115.3 Ų | 115.3 | 44% | 0.441 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -55.4 | -37.2 | 171.8 | 169.8 | 0 | 0 | 0 | 0 | 114.6 | E44 F50 T51 | E44-S48 WeakPolarHBondContact O-CA 3.31Å; E44-S48 WeakPolarHBondContact O-CB 3.37Å; E44-S48 PolarHBondContact O-N 2.96Å; S48-F50 PolarHBondContact O-N 2.95Å; S48-T51 WeakPolarHBondContact CA-OG1 3.26Å; S48-T51 CarbonylContact O-C 3.45Å; S48-T51 PolarHBondContact O-N 3.26Å |
| 49 | P | 64.5 | Low | 68.4 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -62.6 | -10.3 | 173.1 | 23.7 | -34.9 | 0 | 0 | 0 | 113.5 | T45 V46 C47 | T45-P49 WeakPolarHBondContact O-CD 3.36Å; V46-P49 WeakPolarHBondContact O-CD 3.46Å; V46-P49 VanDerWaalsContact O-CG 3.31Å; V46-P49 WeakPolarHBondContact O-CG 3.47Å; C47-P49 VanDerWaalsContact C-CD 3.45Å |
| 50 | F | 57.4 | Low | 66.1 | Low | 181 Ų | 181 | 122.2 Ų | 122.2 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -109.2 | -7.8 | 174.5 | -59.9 | -77.8 | 0 | 0 | 0 | 114 | C47 S48 | C47-F50 WeakPolarHBondContact O-CA 3.47Å; C47-F50 WeakPolarHBondContact O-CB 3.39Å; C47-F50 PolarHBondContact O-N 3.42Å; S48-F50 PolarHBondContact O-N 2.95Å |
| 51 | T | 58.1 | Low | 63.8 | Low | 95 Ų | 95 | 127 Ų | 127 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -118.2 | 80.3 | 175 | 65.8 | 0 | 0 | 0 | 0 | 108.5 | C47 S48 E53 | C47-T51 PolarHBondContact O-N 3.2Å; S48-T51 WeakPolarHBondContact CA-OG1 3.26Å; S48-T51 CarbonylContact O-C 3.45Å; S48-T51 PolarHBondContact O-N 3.26Å; T51-E53 PolarHBondContact O-N 2.82Å |
| 52 | S | 51.6 | Low | 61.7 | Low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | -51.5 | 124.5 | 177.4 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 53 | E | 55.5 | Low | 59.2 | Low | 196 Ų | 196 | 137.4 Ų | 137.4 | 92% | 0.916 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 64.9 | 49 | 138.8 | -156.4 | 160.3 | 101.1 | 0 | 0 | 119.4 | T51 | T51-E53 PolarHBondContact O-N 2.82Š|
| 54 | E | 54.1 | Low | 57.1 | Low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -148.9 | 51.4 | 166.8 | -155.7 | -173.1 | 123.7 | 0 | 0 | 114.5 | ||
| 55 | R | 50 | Low | 55 | Low | 191 Ų | 191 | 138.5 Ų | 138.5 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -162.2 | 28.4 | 156.5 | -142.2 | 169.5 | -178.4 | 169.1 | 2.7 | 116.5 | E57 E58 | R55-E57 VanDerWaalsContact C-N 3.32Å; R55-E58 IonicContact CZ-OE2 3.58Å; R55-E58 IonicContact NE-OE2 3.41Å; R55-E58 PolarHBondContact NE-OE2 3.49Å; R55-E58 IonicContact NH2-OE2 2.89Å; R55-E58 PolarHBondContact NH2-OE2 2.86Å |
| 56 | L | 49.2 | Very low | 53.1 | Low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -91.5 | 8.6 | 170.4 | -77.5 | 177.1 | 0 | 0 | 0 | 113.4 | ||
| 57 | E | 50.1 | Low | 51 | Low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -108.4 | -12.7 | -179.7 | -64.2 | -167.8 | 158.8 | 0 | 0 | 114.9 | R55 | R55-E57 VanDerWaalsContact C-N 3.32Š|
| 58 | E | 52.2 | Low | 50.1 | Low | 144 Ų | 144 | 145.7 Ų | 145.7 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -92.3 | -9.1 | -176.5 | -142.4 | -174.6 | 173.2 | 0 | 0 | 114.5 | R55 | R55-E58 IonicContact CZ-OE2 3.58Å; R55-E58 IonicContact NE-OE2 3.41Å; R55-E58 PolarHBondContact NE-OE2 3.49Å; R55-E58 IonicContact NH2-OE2 2.89Å; R55-E58 PolarHBondContact NH2-OE2 2.86Å |
| 59 | E | 49.1 | Very low | 49.7 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -122.3 | 4.5 | 177.5 | -135.3 | -171.9 | 139.9 | 0 | 0 | 114.6 | ||
| 60 | E | 46.2 | Very low | 48.8 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 57% | 0.565 | 76% | 0.761 | S | S | * | * | trans | -101.6 | 7.1 | 170.9 | -111.8 | -159.6 | 127 | 0 | 0 | 114.6 | K62 K63 | E60-K62 PolarHBondContact O-N 3.46Å; E60-K62 VanDerWaalsContact O-N 3.1Å; E60-K63 WeakPolarHBondContact OE1-CE 3.17Å; E60-K63 IonicContact OE1-NZ 3.36Å; E60-K63 PolarHBondContact OE1-NZ 3.25Å | ||
| 61 | E | 43.7 | Very low | 48.2 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 30.5 | 156.1 | -154.1 | -170.7 | 147.1 | 0 | 0 | 111.4 | ||
| 62 | K | 46 | Very low | 47.8 | Very low | 181 Ų | 181 | 155.6 Ų | 155.6 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 41.7 | 165.4 | -154.4 | -176.7 | -179.2 | -168.2 | 0 | 109.9 | E60 | E60-K62 PolarHBondContact O-N 3.46Å; E60-K62 VanDerWaalsContact O-N 3.1Å |
| 63 | K | 40.7 | Very low | 47.9 | Very low | 164 Ų | 164 | 156.2 Ų | 156.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -76.5 | 125.1 | 160.1 | -79.9 | -162.6 | -176.4 | -171.8 | 0 | 110.6 | E60 | E60-K63 WeakPolarHBondContact OE1-CE 3.17Å; E60-K63 IonicContact OE1-NZ 3.36Å; E60-K63 PolarHBondContact OE1-NZ 3.25Å | ||
| 64 | V | 44.1 | Very low | 47.7 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -66.8 | 121.5 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 65 | A | 38.6 | Very low | 47.7 | Very low | 84 Ų | 84 | 152 Ų | 152 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | 77.3 | 160.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 66 | P | 44.8 | Very low | 47.9 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | cis | -120.9 | 170.9 | -33.1 | 27.9 | -6 | 0 | 0 | 0 | 109.6 | ||||
| 67 | T | 40.5 | Very low | 48.1 | Very low | 84 Ų | 84 | 146.1 Ų | 146.1 | 52% | 0.515 | 72% | 0.717 | S | S | . | * | 175.3 | 126.5 | 73.1 | -55.1 | 0 | 0 | 0 | 0 | 107.8 | E69 | T67-E69 HydrophobicContact CG2-CB 3.63Å; T67-E69 HydrophobicContact CG2-CG 3.54Å; T67-E69 PolarHBondContact O-N 2.93Å | |||
| 68 | Q | 53.5 | Low | 48.4 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 1.4 | 172.2 | -109.1 | -176.7 | -8.3 | 0 | 0 | 115.2 | ||
| 69 | E | 52.8 | Low | 48.5 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 68% | 0.682 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -79.5 | -26.5 | -174.7 | -74.7 | -176 | 153.3 | 0 | 0 | 113.6 | T67 M71 K72 Q73 | T67-E69 HydrophobicContact CG2-CB 3.63Å; T67-E69 HydrophobicContact CG2-CG 3.54Å; T67-E69 PolarHBondContact O-N 2.93Å; E69-M71 VanDerWaalsContact C-N 3.31Å; E69-M71 PolarHBondContact O-N 3.36Å; E69-K72 PolarHBondContact O-N 3.22Å; E69-Q73 PolarHBondContact O-N 3.3Å |
| 70 | Q | 46.6 | Very low | 48.6 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -69.2 | -28.1 | -179.9 | -70.7 | -170.1 | 17.2 | 0 | 0 | 113.2 | ||
| 71 | M | 45.4 | Very low | 48.8 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 84% | 0.837 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -76.9 | -26.9 | 177.4 | -72.5 | -172 | 179.4 | 0 | 0 | 112.8 | E69 | E69-M71 VanDerWaalsContact C-N 3.31Å; E69-M71 PolarHBondContact O-N 3.36Å |
| 72 | K | 49.3 | Very low | 49.2 | Very low | 164 Ų | 164 | 142 Ų | 142 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -79.3 | -40.1 | 178.4 | -143.4 | 176.9 | -174.4 | -173.3 | 0 | 111.8 | E69 K74 Q75 E76 | E69-K72 PolarHBondContact O-N 3.22Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.19Å; K72-Q75 PolarHBondContact O-N 3.17Å; K72-E76 PolarHBondContact O-N 3.39Å |
| 73 | Q | 53.8 | Low | 49.4 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 58% | 0.584 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.4 | -32.3 | -178.8 | -168 | 175.4 | -4.2 | 0 | 0 | 113.2 | E69 Q75 N77 | E69-Q73 PolarHBondContact O-N 3.3Å; Q73-Q75 VanDerWaalsContact C-N 3.32Å; Q73-Q75 PolarHBondContact O-N 3.42Å; Q73-N77 PolarHBondContact O-N 2.86Å; Q73-N77 PolarHBondContact O-ND2 3.19Å |
| 74 | K | 50.7 | Low | 49.6 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 68% | 0.683 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -66.4 | -34.3 | 174.8 | -167.4 | 177.5 | -177.4 | -173.8 | 0 | 112.2 | K72 L78 | K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.19Å; K74-L78 HydrophobicContact CG-CD1 4.4Å; K74-L78 VanDerWaalsContact O-CD1 3.24Å; K74-L78 WeakPolarHBondContact O-CD1 3.24Å; K74-L78 PolarHBondContact O-N 3.49Å |
| 75 | Q | 54.8 | Low | 49.3 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -76 | -37.7 | -180 | -146 | -178.5 | 39.6 | 0 | 0 | 111.7 | K72 Q73 L78 I79 | K72-Q75 PolarHBondContact O-N 3.17Å; Q73-Q75 VanDerWaalsContact C-N 3.32Å; Q73-Q75 PolarHBondContact O-N 3.42Å; Q75-L78 PolarHBondContact O-N 3.06Å; Q75-I79 WeakPolarHBondContact O-CD1 3.33Å; Q75-I79 WeakPolarHBondContact O-CG1 3.47Å; Q75-I79 PolarHBondContact O-N 3.47Å |
| 76 | E | 52.7 | Low | 49.6 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -68.1 | -38.9 | 177.9 | -165.4 | 176.5 | 156.5 | 0 | 0 | 112.6 | K72 L78 I79 L80 | K72-E76 PolarHBondContact O-N 3.39Å; E76-L78 PolarHBondContact O-N 3.22Å; E76-I79 PolarHBondContact O-N 3.35Å; E76-L80 PolarHBondContact O-N 3.49Å |
| 77 | N | 55.4 | Low | 49.1 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 47% | 0.465 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -67.5 | -34.7 | 176.8 | -82.3 | -83.9 | 0 | 0 | 0 | 113 | Q73 I79 E81 | Q73-N77 PolarHBondContact O-N 2.86Å; Q73-N77 PolarHBondContact O-ND2 3.19Å; N77-I79 VanDerWaalsContact C-N 3.3Å; N77-I79 PolarHBondContact O-N 3.47Å; N77-E81 PolarHBondContact O-N 3.25Å |
| 78 | L | 55.5 | Low | 49 | Very low | 126 Ų | 126 | 147 Ų | 147 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -67.5 | -30.2 | 174.5 | -101 | 88.6 | 0 | 0 | 0 | 112.8 | K74 Q75 E76 | K74-L78 HydrophobicContact CG-CD1 4.4Å; K74-L78 VanDerWaalsContact O-CD1 3.24Å; K74-L78 WeakPolarHBondContact O-CD1 3.24Å; K74-L78 PolarHBondContact O-N 3.49Å; Q75-L78 PolarHBondContact O-N 3.06Å; E76-L78 PolarHBondContact O-N 3.22Å |
| 79 | I | 54.8 | Low | 48.4 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -79.4 | -36 | 179.4 | -63.8 | 166.1 | 0 | 0 | 0 | 110.7 | Q75 E76 N77 | Q75-I79 WeakPolarHBondContact O-CD1 3.33Å; Q75-I79 WeakPolarHBondContact O-CG1 3.47Å; Q75-I79 PolarHBondContact O-N 3.47Å; E76-I79 PolarHBondContact O-N 3.35Å; N77-I79 VanDerWaalsContact C-N 3.3Å; N77-I79 PolarHBondContact O-N 3.47Å |
| 80 | L | 50.5 | Low | 48.1 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -71.5 | -37.2 | 179.7 | -172.7 | 64.5 | 0 | 0 | 0 | 113.4 | E76 K82 S83 | E76-L80 PolarHBondContact O-N 3.49Å; L80-K82 PolarHBondContact O-N 3.48Å; L80-S83 PolarHBondContact O-N 3.21Å |
| 81 | E | 49.9 | Very low | 47.9 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -66 | -34.7 | 180 | -96 | -97.9 | 119.2 | 0 | 0 | 113 | N77 S83 | N77-E81 PolarHBondContact O-N 3.25Å; E81-S83 PolarHBondContact O-N 3.42Å |
| 82 | K | 52.1 | Low | 48.1 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.865 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -12 | -177.9 | -153.1 | -177.3 | -178.4 | -175.2 | 0 | 113.6 | L80 | L80-K82 PolarHBondContact O-N 3.48Š|
| 83 | S | 51.3 | Low | 47.8 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 4.3 | -173.5 | -167.5 | 0 | 0 | 0 | 0 | 115.1 | L80 E81 | L80-S83 PolarHBondContact O-N 3.21Å; E81-S83 PolarHBondContact O-N 3.42Å |
| 84 | K | 44.3 | Very low | 47.6 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | trans | -139.1 | 89.6 | -171.1 | -142.3 | 171.5 | -170.8 | 175.7 | 0 | 114.7 | ||||
| 85 | K | 38.1 | Very low | 47.6 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | 154.5 | 159.4 | 128 | -83.5 | 163.6 | -169 | -178.8 | 0 | 111.3 | |||||
| 86 | P | 45.1 | Very low | 47.5 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | cis | -131.5 | -174.8 | -8.4 | 29.8 | -7.4 | 0 | 0 | 0 | 112.8 | ||||
| 87 | T | 33.9 | Very low | 47.2 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | 139.1 | 89 | 151.2 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 88 | M | 38.1 | Very low | 46.7 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | 57.2 | 104.7 | 93.7 | -172.2 | 179.5 | -176.3 | 0 | 0 | 112.6 | |||||
| 89 | M | 42.1 | Very low | 46.5 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 170.6 | 127.2 | 133.9 | -95.3 | 166.8 | 167.5 | 0 | 0 | 112.2 | ||||
| 90 | Q | 44.9 | Very low | 46.3 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 63.7 | 108.9 | 140 | -76.6 | 176.7 | -115.7 | 0 | 0 | 119.5 | ||||
| 91 | R | 43.9 | Very low | 46 | Very low | 217 Ų | 217 | 156.5 Ų | 156.5 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | 81.9 | 110.9 | 87.1 | -92.9 | -174.3 | 162.2 | 117.8 | -3.7 | 113.2 | |||||
| 92 | S | 48.8 | Very low | 45.8 | Very low | 97 Ų | 97 | 155.9 Ų | 155.9 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | 77.8 | 131.3 | 125.1 | 80.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 93 | L | 44 | Very low | 45.5 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | 93.8 | 102.7 | 144.3 | -63.7 | 164.4 | 0 | 0 | 0 | 119.7 | ||||
| 94 | V | 48.1 | Very low | 45.2 | Very low | 117 Ų | 117 | 156.6 Ų | 156.6 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | 56.5 | 125.8 | 103.6 | 171.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 95 | T | 50.8 | Low | 45.2 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | 80.9 | 119.1 | 149.6 | 41.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 96 | R | 52.6 | Low | 45.7 | Very low | 221 Ų | 221 | 153.2 Ų | 153.2 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | 41 | 120.2 | 118.4 | -63.7 | -175.8 | 134.2 | -171.5 | -1.6 | 117.6 | |||||
| 97 | Q | 47.2 | Very low | 45.7 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | 165.7 | 146.1 | 90.3 | -80.5 | -154.9 | -81 | 0 | 0 | 109.7 | |||||
| 98 | H | 45.3 | Very low | 46.6 | Very low | 191 Ų | 191 | 158.2 Ų | 158.2 | 88% | 0.884 | 83% | 0.827 | S | S | * | * | trans | -52.5 | 142.5 | 160.8 | -76.2 | -107.7 | 0 | 0 | 0 | 111.9 | ||||
| 99 | A | 51.2 | Low | 47.3 | Very low | 100 Ų | 100 | 157.6 Ų | 157.6 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | -169.2 | 153.8 | 123.5 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 100 | S | 49.2 | Very low | 47.8 | Very low | 199 Ų | 199 | 157.9 Ų | 157.9 | 100% | 1.392 | 83% | 0.834 | S | S | * | * | trans | -29.2 | 0 | 177 | -55.5 | 0 | 0 | 0 | 0 | 119.7 |
Retrieved 100 of 100 residues in 141.6 ms
(Link to these results)