| 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 | 49.5 | Very low | 62.3 | Low | 203 Ų | 203 | 102.5 Ų | 102.5 | 100% | 1 | 54% | 0.543 | S | S | * | . | 0 | -23.7 | 0 | -47 | -135 | -71.2 | 0 | 0 | 115.3 | E4 | M1-E4 WeakPolarHBondContact CA-OE2 3.2Š| |||
| 2 | A | 49.3 | Very low | 63.4 | Low | 33 Ų | 33 | 103.1 Ų | 103.1 | 27% | 0.273 | 55% | 0.546 | S | S | . | . | trans | -107 | -7.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P6 Y132 | A2-P6 WeakPolarHBondContact O-CD 3.41Å; A2-Y132 PolarHBondContact O-OH 3.32Å | ||
| 3 | L | 52.1 | Low | 64.3 | Low | 132 Ų | 132 | 101.3 Ų | 101.3 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -91 | -18.4 | 170.5 | -82.5 | 152.5 | 0 | 0 | 0 | 112.3 | P6 I7 | L3-P6 VanDerWaalsContact O-CD 3.28Å; L3-P6 WeakPolarHBondContact O-CD 3.45Å; L3-P6 VanDerWaalsContact O-CG 3.28Å; L3-P6 WeakPolarHBondContact O-CG 3.31Å; L3-I7 WeakPolarHBondContact O-CD1 3.2Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.38Å |
| 4 | E | 53.7 | Low | 65 | Low | 133 Ų | 133 | 98.4 Ų | 98.4 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75 | -34.4 | -176 | -68 | 169.6 | 149.4 | 0 | 0 | 112.4 | M1 S8 | M1-E4 WeakPolarHBondContact CA-OE2 3.2Å; E4-S8 VanDerWaalsContact O-CB 3.24Å; E4-S8 WeakPolarHBondContact O-CB 3.36Å; E4-S8 PolarHBondContact O-N 3.47Å |
| 5 | V | 56.8 | Low | 65.6 | Low | 96 Ų | 96 | 95.1 Ų | 95.1 | 58% | 0.582 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -48.8 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 112.8 | I7 S8 V9 | V5-I7 VanDerWaalsContact C-N 3.34Å; V5-I7 PolarHBondContact O-N 2.88Å; V5-S8 PolarHBondContact O-N 3.5Å; V5-V9 VanDerWaalsContact O-CG2 3.27Å; V5-V9 WeakPolarHBondContact O-CG2 3.29Å; V5-V9 PolarHBondContact O-N 2.77Å |
| 6 | P | 61.5 | Low | 65.7 | Low | 68 Ų | 68 | 96.6 Ų | 96.6 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -32.9 | 178.2 | 24.9 | -33.8 | 0 | 0 | 0 | 112.9 | A2 L3 Y10 | A2-P6 WeakPolarHBondContact O-CD 3.41Å; L3-P6 VanDerWaalsContact O-CD 3.28Å; L3-P6 WeakPolarHBondContact O-CD 3.45Å; L3-P6 VanDerWaalsContact O-CG 3.28Å; L3-P6 WeakPolarHBondContact O-CG 3.31Å; P6-Y10 VanDerWaalsContact O-CB 3.24Å; P6-Y10 WeakPolarHBondContact O-CB 3.46Å; P6-Y10 PolarHBondContact O-N 3.48Å |
| 7 | I | 69.3 | Low | 65.9 | Low | 94 Ų | 94 | 94.8 Ų | 94.8 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 175.1 | -64.3 | 167.1 | 0 | 0 | 0 | 110 | L3 V5 V9 Y10 L11 | L3-I7 WeakPolarHBondContact O-CD1 3.2Å; L3-I7 WeakPolarHBondContact O-CG1 3.41Å; L3-I7 PolarHBondContact O-N 3.38Å; V5-I7 VanDerWaalsContact C-N 3.34Å; V5-I7 PolarHBondContact O-N 2.88Å; I7-V9 PolarHBondContact O-N 2.86Å; I7-Y10 PolarHBondContact O-N 3.34Å; I7-L11 HydrophobicContact CG2-CD1 3.84Å; I7-L11 HydrophobicContact CG2-CG 4.26Å; I7-L11 WeakPolarHBondContact O-CB 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.29Å; I7-L11 PolarHBondContact O-N 3.33Å |
| 8 | S | 67.8 | Low | 66 | Low | 62 Ų | 62 | 92.7 Ų | 92.7 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 112 | E4 V5 L11 L12 | E4-S8 VanDerWaalsContact O-CB 3.24Å; E4-S8 WeakPolarHBondContact O-CB 3.36Å; E4-S8 PolarHBondContact O-N 3.47Å; V5-S8 PolarHBondContact O-N 3.5Å; S8-L11 PolarHBondContact O-N 2.84Å; S8-L12 VanDerWaalsContact O-CG 3.27Å; S8-L12 WeakPolarHBondContact O-CG 3.38Å; S8-L12 PolarHBondContact O-N 3.15Å |
| 9 | V | 74.7 | Confident | 65.6 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.2 | 169.3 | 0 | 0 | 0 | 0 | 111.9 | V5 I7 L12 F13 F125 | V5-V9 VanDerWaalsContact O-CG2 3.27Å; V5-V9 WeakPolarHBondContact O-CG2 3.29Å; V5-V9 PolarHBondContact O-N 2.77Å; I7-V9 PolarHBondContact O-N 2.86Å; V9-L12 PolarHBondContact O-N 3.45Å; V9-F13 PolarHBondContact O-N 2.95Å; V9-F125 HydrophobicContact CG1-CD1 4.14Å; V9-F125 HydrophobicContact CG1-CE1 3.26Å; V9-F125 HydrophobicContact CG1-CZ 3.8Å |
| 10 | Y | 74 | Confident | 65.1 | Low | 150 Ų | 150 | 93.8 Ų | 93.8 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 176.3 | -178.3 | -106.9 | 0 | 0 | 0 | 111.9 | P6 I7 F13 N14 | P6-Y10 VanDerWaalsContact O-CB 3.24Å; P6-Y10 WeakPolarHBondContact O-CB 3.46Å; P6-Y10 PolarHBondContact O-N 3.48Å; I7-Y10 PolarHBondContact O-N 3.34Å; Y10-F13 PolarHBondContact O-N 3.38Å; Y10-N14 WeakPolarHBondContact CD1-ND2 3.36Å; Y10-N14 WeakPolarHBondContact CE1-ND2 3.38Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.32Å; Y10-N14 WeakPolarHBondContact O-CB 3.43Å; Y10-N14 VanDerWaalsContact O-CG 3.31Å; Y10-N14 PolarHBondContact O-N 3.44Å; Y10-N14 PolarHBondContact O-ND2 3.31Å |
| 11 | L | 77 | Confident | 64.5 | Low | 105 Ų | 105 | 96.4 Ų | 96.4 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175 | -70.8 | 172.8 | 0 | 0 | 0 | 112 | I7 S8 N14 A15 | I7-L11 HydrophobicContact CG2-CD1 3.84Å; I7-L11 HydrophobicContact CG2-CG 4.26Å; I7-L11 WeakPolarHBondContact O-CB 3.29Å; I7-L11 WeakPolarHBondContact O-CG 3.29Å; I7-L11 PolarHBondContact O-N 3.33Å; S8-L11 PolarHBondContact O-N 2.84Å; L11-N14 PolarHBondContact O-N 2.93Å; L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 2.81Å |
| 12 | L | 75.7 | Confident | 64.4 | Low | 109 Ų | 109 | 93.3 Ų | 93.3 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 175.8 | -72.5 | 171.1 | 0 | 0 | 0 | 112 | S8 V9 A15 M16 | S8-L12 VanDerWaalsContact O-CG 3.27Å; S8-L12 WeakPolarHBondContact O-CG 3.38Å; S8-L12 PolarHBondContact O-N 3.15Å; V9-L12 PolarHBondContact O-N 3.45Å; L12-A15 PolarHBondContact O-N 2.83Å; L12-M16 WeakPolarHBondContact O-CG 3.24Å; L12-M16 PolarHBondContact O-N 2.97Å |
| 13 | F | 75.1 | Confident | 64.1 | Low | 80 Ų | 80 | 94.6 Ų | 94.6 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 176.4 | -164.7 | -95.4 | 0 | 0 | 0 | 111.4 | V9 Y10 A15 M16 T17 L121 F125 | V9-F13 PolarHBondContact O-N 2.95Å; Y10-F13 PolarHBondContact O-N 3.38Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 3.07Å; F13-M16 PolarHBondContact O-N 2.89Å; F13-T17 HydrophobicContact CD1-CG2 4.29Å; F13-T17 HydrophobicContact CE1-CG2 4.08Å; F13-T17 PolarHBondContact O-N 2.95Å; F13-T17 PolarHBondContact O-OG1 3.19Å; F13-L121 HydrophobicContact CE2-CD1 4.19Å; F13-F125 HydrophobicContact CD2-CE2 4.14Å; F13-F125 HydrophobicContact CE2-CE2 4.31Å |
| 14 | N | 73.6 | Confident | 63.6 | Low | 61 Ų | 61 | 92 Ų | 92 | 33% | 0.326 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 175.6 | -71.2 | -21.6 | 0 | 0 | 0 | 112.6 | Y10 L11 T17 A18 | Y10-N14 WeakPolarHBondContact CD1-ND2 3.36Å; Y10-N14 WeakPolarHBondContact CE1-ND2 3.38Å; Y10-N14 VanDerWaalsContact CZ-ND2 3.32Å; Y10-N14 WeakPolarHBondContact O-CB 3.43Å; Y10-N14 VanDerWaalsContact O-CG 3.31Å; Y10-N14 PolarHBondContact O-N 3.44Å; Y10-N14 PolarHBondContact O-ND2 3.31Å; L11-N14 PolarHBondContact O-N 2.93Å; N14-T17 VanDerWaalsContact CA-OG1 3.27Å; N14-T17 WeakPolarHBondContact CA-OG1 3.32Å; N14-T17 PolarHBondContact O-N 3.41Å; N14-T17 PolarHBondContact O-OG1 3.17Å; N14-A18 WeakPolarHBondContact O-CB 3.27Å; N14-A18 PolarHBondContact O-N 2.82Å |
| 15 | A | 73.7 | Confident | 62.9 | Low | 49 Ų | 49 | 91.2 Ų | 91.2 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L11 L12 F13 A18 L19 | L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 2.81Å; L12-A15 PolarHBondContact O-N 2.83Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 3.07Å; A15-A18 PolarHBondContact O-N 3.33Å; A15-L19 WeakPolarHBondContact O-CG 3.28Å; A15-L19 PolarHBondContact O-N 2.85Å |
| 16 | M | 68.1 | Low | 61.9 | Low | 119 Ų | 119 | 92.3 Ų | 92.3 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 175.2 | -77.1 | -61.2 | -64.7 | 0 | 0 | 112.3 | L12 F13 L19 T20 | L12-M16 WeakPolarHBondContact O-CG 3.24Å; L12-M16 PolarHBondContact O-N 2.97Å; F13-M16 PolarHBondContact O-N 2.89Å; M16-L19 PolarHBondContact O-N 3.37Å; M16-L19 HydrophobicContact SD-CD1 4.41Å; M16-T20 PolarHBondContact O-N 2.87Å; M16-T20 VanDerWaalsContact O-N 3.1Å; M16-T20 PolarHBondContact O-OG1 3.45Å |
| 17 | T | 67.6 | Low | 60.6 | Low | 66 Ų | 66 | 94.8 Ų | 94.8 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 174.8 | 48.5 | 0 | 0 | 0 | 0 | 112 | F13 N14 T20 E21 | F13-T17 HydrophobicContact CD1-CG2 4.29Å; F13-T17 HydrophobicContact CE1-CG2 4.08Å; F13-T17 PolarHBondContact O-N 2.95Å; F13-T17 PolarHBondContact O-OG1 3.19Å; N14-T17 VanDerWaalsContact CA-OG1 3.27Å; N14-T17 WeakPolarHBondContact CA-OG1 3.32Å; N14-T17 PolarHBondContact O-N 3.41Å; N14-T17 PolarHBondContact O-OG1 3.17Å; T17-T20 PolarHBondContact O-N 3.15Å; T17-E21 PolarHBondContact O-N 3.41Å |
| 18 | A | 68.8 | Low | 58.6 | Low | 57 Ų | 57 | 96.1 Ų | 96.1 | 47% | 0.471 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N14 A15 T20 E21 E22 | N14-A18 WeakPolarHBondContact O-CB 3.27Å; N14-A18 PolarHBondContact O-N 2.82Å; A15-A18 PolarHBondContact O-N 3.33Å; A18-T20 PolarHBondContact O-N 3.47Å; A18-E21 PolarHBondContact O-N 3.36Å; A18-E22 PolarHBondContact O-N 3.01Å |
| 19 | L | 58.8 | Low | 57 | Low | 114 Ų | 114 | 97.6 Ų | 97.6 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.6 | -27.5 | 175.2 | -76 | 163.1 | 0 | 0 | 0 | 113.2 | A15 M16 A23 | A15-L19 WeakPolarHBondContact O-CG 3.28Å; A15-L19 PolarHBondContact O-N 2.85Å; M16-L19 PolarHBondContact O-N 3.37Å; M16-L19 HydrophobicContact SD-CD1 4.41Å; L19-A23 PolarHBondContact O-N 2.84Å |
| 20 | T | 55.3 | Low | 54.9 | Low | 93 Ų | 93 | 100.8 Ų | 100.8 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.3 | -29.9 | 178.6 | -44.5 | 0 | 0 | 0 | 0 | 111.5 | M16 T17 A18 A24 | M16-T20 PolarHBondContact O-N 2.87Å; M16-T20 VanDerWaalsContact O-N 3.1Å; M16-T20 PolarHBondContact O-OG1 3.45Å; T17-T20 PolarHBondContact O-N 3.15Å; A18-T20 PolarHBondContact O-N 3.47Å; T20-A24 PolarHBondContact O-N 3Å |
| 21 | E | 51.7 | Low | 52.9 | Low | 149 Ų | 149 | 101.5 Ų | 101.5 | 70% | 0.696 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.3 | -40.2 | 173.3 | -63.5 | -118.6 | 143.1 | 0 | 0 | 111.7 | T17 A18 A23 A24 | T17-E21 PolarHBondContact O-N 3.41Å; A18-E21 PolarHBondContact O-N 3.36Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 3.09Å; E21-A24 PolarHBondContact O-N 3.46Å |
| 22 | E | 46.9 | Very low | 50.5 | Low | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -28.9 | 177.8 | -61 | -64.2 | 147.2 | 0 | 0 | 112.7 | A18 V25 | A18-E22 PolarHBondContact O-N 3.01Å; E22-V25 PolarHBondContact O-N 3.45Å |
| 23 | A | 44.2 | Very low | 48.6 | Very low | 60 Ų | 60 | 101 Ų | 101 | 50% | 0.496 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.7 | -28.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L19 E21 V25 T26 | L19-A23 PolarHBondContact O-N 2.84Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 3.09Å; A23-V25 PolarHBondContact O-N 2.9Å; A23-T26 PolarHBondContact O-N 3.43Å |
| 24 | A | 41 | Very low | 46.4 | Very low | 77 Ų | 77 | 106.1 Ų | 106.1 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.9 | -21.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T20 E21 | T20-A24 PolarHBondContact O-N 3Å; E21-A24 PolarHBondContact O-N 3.46Å |
| 25 | V | 39.9 | Very low | 44.4 | Very low | 117 Ų | 117 | 110.5 Ų | 110.5 | 71% | 0.709 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -14.4 | -179.6 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | E22 A23 | E22-V25 PolarHBondContact O-N 3.45Å; A23-V25 PolarHBondContact O-N 2.9Å |
| 26 | T | 34.8 | Very low | 42.4 | Very low | 119 Ų | 119 | 111.5 Ų | 111.5 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -110.3 | 4 | -170.8 | -36.6 | 0 | 0 | 0 | 0 | 115 | A23 | A23-T26 PolarHBondContact O-N 3.43Š|
| 27 | V | 34.6 | Very low | 40.6 | Very low | 121 Ų | 121 | 111.6 Ų | 111.6 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | trans | -120.8 | 63.9 | 175.8 | -165.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 28 | T | 28.1 | Very low | 39.2 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | -135.1 | 97.4 | 155.9 | -51.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 29 | P | 33.8 | Very low | 37.2 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | trans | -64.3 | 141.3 | 165.2 | 26.1 | -30.1 | 0 | 0 | 0 | 108.9 | I31 | P29-I31 PolarHBondContact O-N 2.89Š| ||
| 30 | P | 30.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | -69.9 | 105.8 | 179.7 | 29.7 | -31.3 | 0 | 0 | 0 | 108 | T32 | P30-T32 VanDerWaalsContact C-N 3.28Å; P30-T32 PolarHBondContact O-N 3.34Å | ||
| 31 | I | 31.1 | Very low | 34.9 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 84% | 0.841 | 71% | 0.711 | S | S | * | * | trans | -77 | 93.2 | 168 | -60 | 179.4 | 0 | 0 | 0 | 106.6 | P29 A33 | P29-I31 PolarHBondContact O-N 2.89Å; I31-A33 PolarHBondContact O-N 3.3Å | ||
| 32 | T | 27.3 | Very low | 34.2 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | -48 | 124.5 | 160.8 | -55.8 | 0 | 0 | 0 | 0 | 109.2 | P30 Q34 | P30-T32 VanDerWaalsContact C-N 3.28Å; P30-T32 PolarHBondContact O-N 3.34Å; T32-Q34 PolarHBondContact O-N 3.25Å | ||
| 33 | A | 35.8 | Very low | 33.4 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -56.8 | 103.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I31 Q35 | I31-A33 PolarHBondContact O-N 3.3Å; A33-Q35 PolarHBondContact O-N 3Å | ||
| 34 | Q | 29.6 | Very low | 33.5 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -82.7 | 91 | 167.1 | -103.7 | -131.1 | 0.6 | 0 | 0 | 108.6 | T32 G36 | T32-Q34 PolarHBondContact O-N 3.25Å; Q34-G36 PolarHBondContact O-N 3.45Å; Q34-G36 VanDerWaalsContact O-N 3.16Å | ||
| 35 | Q | 30.8 | Very low | 33.1 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | trans | -68.8 | 99 | 162.7 | 179 | 165.3 | -20.4 | 0 | 0 | 108.6 | A33 N37 | A33-Q35 PolarHBondContact O-N 3Å; Q35-N37 VanDerWaalsContact C-N 3.29Å; Q35-N37 WeakPolarHBondContact CG-OD1 3.39Å; Q35-N37 PolarHBondContact NE2-ND2 3.32Å; Q35-N37 PolarHBondContact NE2-OD1 3.47Å; Q35-N37 PolarHBondContact O-N 3.46Å | ||
| 36 | G | 32.6 | Very low | 32.6 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | -74.8 | 81 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q34 W38 | Q34-G36 PolarHBondContact O-N 3.45Å; Q34-G36 VanDerWaalsContact O-N 3.16Å; G36-W38 PolarHBondContact O-N 3.5Å | ||
| 37 | N | 29.6 | Very low | 33.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | trans | -71.4 | 103 | 165.8 | -80.7 | 0 | 0 | 0 | 0 | 108.6 | Q35 | Q35-N37 VanDerWaalsContact C-N 3.29Å; Q35-N37 WeakPolarHBondContact CG-OD1 3.39Å; Q35-N37 PolarHBondContact NE2-ND2 3.32Å; Q35-N37 PolarHBondContact NE2-OD1 3.47Å; Q35-N37 PolarHBondContact O-N 3.46Å | ||
| 38 | W | 38.4 | Very low | 33.2 | Very low | 234 Ų | 234 | 133.4 Ų | 133.4 | 89% | 0.886 | 75% | 0.748 | S | S | * | * | trans | -92.5 | 100.4 | 158.5 | -166.6 | -77.8 | 0 | 0 | 0 | 108.5 | G36 V40 | G36-W38 PolarHBondContact O-N 3.5Å; W38-V40 PolarHBondContact O-N 2.97Å | ||
| 39 | T | 25.7 | Very low | 33.8 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 58% | 0.577 | 75% | 0.75 | S | S | * | * | trans | -56.5 | 124.7 | 165.8 | 43.6 | 0 | 0 | 0 | 0 | 108.9 | N41 | T39-N41 VanDerWaalsContact CB-OD1 3.23Å; T39-N41 WeakPolarHBondContact CB-OD1 3.28Å; T39-N41 PolarHBondContact O-N 2.83Å; T39-N41 PolarHBondContact O-OD1 3.37Å; T39-N41 PolarHBondContact OG1-OD1 2.96Å | ||
| 40 | V | 36.7 | Very low | 34.4 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -71.8 | 89.1 | 166.1 | 173 | 0 | 0 | 0 | 0 | 106.5 | W38 K42 | W38-V40 PolarHBondContact O-N 2.97Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 2.93Å | ||
| 41 | N | 29.4 | Very low | 35 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | trans | -75.6 | 90.1 | 171.6 | -46.4 | 13 | 0 | 0 | 0 | 106.2 | T39 T43 | T39-N41 VanDerWaalsContact CB-OD1 3.23Å; T39-N41 WeakPolarHBondContact CB-OD1 3.28Å; T39-N41 PolarHBondContact O-N 2.83Å; T39-N41 PolarHBondContact O-OD1 3.37Å; T39-N41 PolarHBondContact OG1-OD1 2.96Å; N41-T43 VanDerWaalsContact C-N 3.29Å; N41-T43 PolarHBondContact O-N 3.37Å | ||
| 42 | K | 38.5 | Very low | 35.9 | Very low | 185 Ų | 185 | 131 Ų | 131 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -76.2 | 89.4 | 166.6 | -170.6 | 166.8 | 179.9 | 160.5 | 0 | 107.3 | V40 | V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 2.93Å | ||
| 43 | T | 30.2 | Very low | 36.9 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -109.9 | 111.4 | 166.7 | -50.6 | 0 | 0 | 0 | 0 | 107.4 | N41 | N41-T43 VanDerWaalsContact C-N 3.29Å; N41-T43 PolarHBondContact O-N 3.37Å | ||
| 44 | E | 45.4 | Very low | 37.6 | Very low | 180 Ų | 180 | 129.7 Ų | 129.7 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | -62.9 | 127.9 | 165.9 | -74.1 | 177.5 | 144.5 | 0 | 0 | 109.7 | ||||
| 45 | A | 31.4 | Very low | 38.7 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | -151.9 | 96.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 46 | D | 30.4 | Very low | 39.9 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | 62.2 | 106.3 | 87.3 | -160.1 | 33.1 | 0 | 0 | 0 | 113.2 | |||||
| 47 | N | 46 | Very low | 40.9 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | 26 | 119.6 | 162.1 | -65.9 | -66.1 | 0 | 0 | 0 | 120.5 | ||||
| 48 | V | 36 | Very low | 42.2 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | 163.6 | 132 | 120.3 | 162.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 49 | E | 39.6 | Very low | 43.3 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 79% | 0.794 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 70.5 | 112.8 | 176.5 | -128.4 | 75.9 | -147.5 | 0 | 0 | 116.8 | ||
| 50 | G | 47.1 | Very low | 45.1 | Very low | 75 Ų | 75 | 113.6 Ų | 113.6 | 77% | 0.773 | 64% | 0.636 | S | S | * | * | trans | -53.3 | 125.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 51 | P | 42.3 | Very low | 46.2 | Very low | 73 Ų | 73 | 113.2 Ų | 113.2 | 47% | 0.474 | 63% | 0.629 | S | S | . | * | trans | -90.3 | 129.4 | -146.9 | 32.5 | -33 | 0 | 0 | 0 | 111.2 | A53 L54 | P51-A53 HydrophobicContact CB-CB 4.24Å; P51-A53 PolarHBondContact O-N 3.45Å; P51-L54 HydrophobicContact CG-CB 4.36Å; P51-L54 HydrophobicContact CG-CD1 4.36Å; P51-L54 WeakPolarHBondContact O-CB 3.21Å; P51-L54 PolarHBondContact O-N 3.38Å | ||
| 52 | I | 50.9 | Low | 47.4 | Very low | 129 Ų | 129 | 113 Ų | 113 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -46.1 | -27.6 | 168.2 | -64.7 | 159.5 | 0 | 0 | 0 | 112.1 | L54 K55 F56 | I52-L54 VanDerWaalsContact C-N 3.28Å; I52-L54 PolarHBondContact O-N 2.96Å; I52-K55 PolarHBondContact O-N 3.3Å; I52-F56 HydrophobicContact CG2-CD2 3.67Å; I52-F56 HydrophobicContact CG2-CE2 3.22Å; I52-F56 HydrophobicContact CG2-CZ 4.13Å; I52-F56 VanDerWaalsContact O-CD2 3.23Å; I52-F56 WeakPolarHBondContact O-CD2 3.34Å; I52-F56 PolarHBondContact O-N 2.97Å |
| 53 | A | 49.1 | Very low | 48.2 | Very low | 67 Ų | 67 | 109.6 Ų | 109.6 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -56.1 | -34.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P51 F56 S57 | P51-A53 HydrophobicContact CB-CB 4.24Å; P51-A53 PolarHBondContact O-N 3.45Å; A53-F56 PolarHBondContact O-N 2.86Å; A53-S57 PolarHBondContact O-N 3.07Å; A53-S57 PolarHBondContact O-OG 3.22Å |
| 54 | L | 50.7 | Low | 48.9 | Very low | 111 Ų | 111 | 111.5 Ų | 111.5 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.7 | -32.4 | -179.3 | -124.6 | 163.5 | 0 | 0 | 0 | 111.9 | P51 I52 S57 H58 | P51-L54 HydrophobicContact CG-CB 4.36Å; P51-L54 HydrophobicContact CG-CD1 4.36Å; P51-L54 WeakPolarHBondContact O-CB 3.21Å; P51-L54 PolarHBondContact O-N 3.38Å; I52-L54 VanDerWaalsContact C-N 3.28Å; I52-L54 PolarHBondContact O-N 2.96Å; L54-S57 VanDerWaalsContact C-OG 3.24Å; L54-S57 VanDerWaalsContact CA-OG 3.23Å; L54-S57 WeakPolarHBondContact CA-OG 3.25Å; L54-S57 PolarHBondContact O-OG 3.35Å; L54-H58 PolarHBondContact O-N 2.96Å |
| 55 | K | 52.3 | Low | 49.2 | Very low | 167 Ų | 167 | 110.1 Ų | 110.1 | 73% | 0.726 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73 | -36.4 | 175.9 | -160 | 178.2 | -178 | -173.6 | 0 | 111.5 | I52 H58 | I52-K55 PolarHBondContact O-N 3.3Å; K55-H58 WeakPolarHBondContact O-CB 3.18Å; K55-H58 PolarHBondContact O-N 3.07Å |
| 56 | F | 54.5 | Low | 50.7 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 23% | 0.228 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -74.7 | -33.9 | 175.1 | -69.3 | -53.8 | 0 | 0 | 0 | 113.1 | I52 A53 H58 L59 F75 | I52-F56 HydrophobicContact CG2-CD2 3.67Å; I52-F56 HydrophobicContact CG2-CE2 3.22Å; I52-F56 HydrophobicContact CG2-CZ 4.13Å; I52-F56 VanDerWaalsContact O-CD2 3.23Å; I52-F56 WeakPolarHBondContact O-CD2 3.34Å; I52-F56 PolarHBondContact O-N 2.97Å; A53-F56 PolarHBondContact O-N 2.86Å; F56-H58 PolarHBondContact O-N 3.47Å; F56-L59 HydrophobicContact CD1-CD1 4.06Å; F56-L59 WeakPolarHBondContact O-CB 3.27Å; F56-L59 PolarHBondContact O-N 3.43Å; F56-F75 HydrophobicContact CB-CD1 3.97Å; F56-F75 HydrophobicContact CB-CD2 4.43Å; F56-F75 HydrophobicContact CB-CE1 4.22Å; F56-F75 HydrophobicContact CB-CG 4.08Å; F56-F75 AromaticContact CD1-CD1 3.79Å; F56-F75 HydrophobicContact CD1-CD1 3.79Å; F56-F75 HydrophobicContact CD1-CD2 4.1Å; F56-F75 AromaticContact CD1-CE1 3.15Å; F56-F75 HydrophobicContact CD1-CE1 3.15Å; F56-F75 AromaticContact CD1-CE2 3.53Å; F56-F75 HydrophobicContact CD1-CE2 3.53Å; F56-F75 HydrophobicContact CD1-CG 4.22Å; F56-F75 AromaticContact CD1-CZ 3Å; F56-F75 HydrophobicContact CD1-CZ 3Å; F56-F75 HydrophobicContact CD2-CD1 4.37Å; F56-F75 HydrophobicContact CD2-CE1 4.05Å; F56-F75 HydrophobicContact CE1-CD1 4.35Å; F56-F75 AromaticContact CE1-CE1 3.31Å; F56-F75 HydrophobicContact CE1-CE1 3.31Å; F56-F75 AromaticContact CE1-CE2 3.99Å; F56-F75 HydrophobicContact CE1-CE2 3.99Å; F56-F75 AromaticContact CE1-CZ 3.08Å; F56-F75 HydrophobicContact CE1-CZ 3.08Å; F56-F75 HydrophobicContact CE2-CE1 4.12Å; F56-F75 AromaticContact CG-CD1 3.81Å; F56-F75 HydrophobicContact CG-CD1 3.81Å; F56-F75 AromaticContact CG-CE1 3.57Å; F56-F75 HydrophobicContact CG-CE1 3.57Å; F56-F75 HydrophobicContact CG-CE2 4.4Å; F56-F75 HydrophobicContact CG-CG 4.32Å; F56-F75 AromaticContact CG-CZ 3.9Å; F56-F75 HydrophobicContact CG-CZ 3.9Å; F56-F75 AromaticContact CZ-CE1 3.8Å; F56-F75 HydrophobicContact CZ-CE1 3.8Å; F56-F75 AromaticContact CZ-CZ 3.99Å; F56-F75 HydrophobicContact CZ-CZ 3.99Å |
| 57 | S | 55 | Low | 52.8 | Low | 50 Ų | 50 | 106.2 Ų | 106.2 | 35% | 0.35 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.3 | -33.1 | 169.2 | 50.1 | 0 | 0 | 0 | 0 | 112 | A53 L54 L59 C60 L61 | A53-S57 PolarHBondContact O-N 3.07Å; A53-S57 PolarHBondContact O-OG 3.22Å; L54-S57 VanDerWaalsContact C-OG 3.24Å; L54-S57 VanDerWaalsContact CA-OG 3.23Å; L54-S57 WeakPolarHBondContact CA-OG 3.25Å; L54-S57 PolarHBondContact O-OG 3.35Å; S57-L59 PolarHBondContact O-N 2.94Å; S57-C60 CarbonylContact O-C 3.49Å; S57-C60 WeakPolarHBondContact O-CA 3.48Å; S57-C60 PolarHBondContact O-N 3.5Å; S57-L61 WeakPolarHBondContact O-CB 3.23Å; S57-L61 PolarHBondContact O-N 3.49Å |
| 58 | H | 57 | Low | 54.4 | Low | 90 Ų | 90 | 99.8 Ų | 99.8 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.9 | -33.1 | 176.1 | -134 | -90.4 | 0 | 0 | 0 | 113 | L54 K55 F56 C60 L61 E62 | L54-H58 PolarHBondContact O-N 2.96Å; K55-H58 WeakPolarHBondContact O-CB 3.18Å; K55-H58 PolarHBondContact O-N 3.07Å; F56-H58 PolarHBondContact O-N 3.47Å; H58-C60 PolarHBondContact O-N 3.44Å; H58-L61 PolarHBondContact O-N 3.41Å; H58-L61 VanDerWaalsContact O-N 3.11Å; H58-E62 IonicContact CD2-OE2 3.29Å; H58-E62 IonicContact CE1-OE1 2.88Å; H58-E62 PolarHBondContact CE1-OE1 2.97Å; H58-E62 IonicContact CE1-OE2 3.36Å; H58-E62 PolarHBondContact CE1-OE2 3.36Å; H58-E62 IonicContact CG-OE2 3.93Å; H58-E62 IonicContact ND1-OE2 3.33Å; H58-E62 PolarHBondContact ND1-OE2 2.95Å; H58-E62 IonicContact NE2-OE2 2.78Å; H58-E62 PolarHBondContact NE2-OE2 2.91Å; H58-E62 PolarHBondContact O-N 3.34Å |
| 59 | L | 60.3 | Low | 56.8 | Low | 104 Ų | 104 | 97.6 Ų | 97.6 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -25.1 | 174.9 | -75.2 | 157.8 | 0 | 0 | 0 | 113.3 | F56 S57 F75 | F56-L59 HydrophobicContact CD1-CD1 4.06Å; F56-L59 WeakPolarHBondContact O-CB 3.27Å; F56-L59 PolarHBondContact O-N 3.43Å; S57-L59 PolarHBondContact O-N 2.94Å; L59-F75 HydrophobicContact CD1-CD2 4.03Å; L59-F75 HydrophobicContact CD1-CE2 3.51Å; L59-F75 HydrophobicContact CD1-CZ 4.34Å |
| 60 | C | 63.2 | Low | 59 | Low | 57 Ų | 57 | 91.5 Ų | 91.5 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -98.6 | -7.7 | 172 | -70.4 | 0 | 0 | 0 | 0 | 112.8 | S57 H58 C73 | S57-C60 CarbonylContact O-C 3.49Å; S57-C60 WeakPolarHBondContact O-CA 3.48Å; S57-C60 PolarHBondContact O-N 3.5Å; H58-C60 PolarHBondContact O-N 3.44Å; C60-C73 HydrophobicContact CB-CB 3.81Å; C60-C73 WeakPolarHBondContact CB-SG 3.4Å; C60-C73 WeakPolarHBondContact SG-CB 3.5Å; C60-C73 CovalentContact SG-SG 2.06Å; C60-C73 PolarHBondContact SG-SG 3.34Å |
| 61 | L | 61.4 | Low | 60.7 | Low | 127 Ų | 127 | 88.6 Ų | 88.6 | 67% | 0.665 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -115.9 | -26.7 | -167.2 | -161.9 | 137.3 | 0 | 0 | 0 | 113.7 | S57 H58 D63 | S57-L61 WeakPolarHBondContact O-CB 3.23Å; S57-L61 PolarHBondContact O-N 3.49Å; H58-L61 PolarHBondContact O-N 3.41Å; H58-L61 VanDerWaalsContact O-N 3.11Å; L61-D63 PolarHBondContact O-N 3.47Å |
| 62 | E | 53.3 | Low | 62.7 | Low | 114 Ų | 114 | 87.6 Ų | 87.6 | 53% | 0.533 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -86.8 | 88.2 | -178.4 | -143.1 | 76.2 | 169.1 | 0 | 0 | 111.7 | H58 | H58-E62 IonicContact CD2-OE2 3.29Å; H58-E62 IonicContact CE1-OE1 2.88Å; H58-E62 PolarHBondContact CE1-OE1 2.97Å; H58-E62 IonicContact CE1-OE2 3.36Å; H58-E62 PolarHBondContact CE1-OE2 3.36Å; H58-E62 IonicContact CG-OE2 3.93Å; H58-E62 IonicContact ND1-OE2 3.33Å; H58-E62 PolarHBondContact ND1-OE2 2.95Å; H58-E62 IonicContact NE2-OE2 2.78Å; H58-E62 PolarHBondContact NE2-OE2 2.91Å; H58-E62 PolarHBondContact O-N 3.34Å |
| 63 | D | 56 | Low | 64.1 | Low | 113 Ų | 113 | 83.7 Ų | 83.7 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | S | Bend | 61.7 | 84.6 | 126.4 | -141.5 | 4.4 | 0 | 0 | 0 | 117.2 | L61 | L61-D63 PolarHBondContact O-N 3.47Š| |
| 64 | H | 45.9 | Very low | 65.4 | Low | 162 Ų | 162 | 81.8 Ų | 81.8 | 75% | 0.75 | 44% | 0.439 | S | S | * | . | S | Bend | 164.4 | 90.7 | 115.7 | -70.9 | -32.9 | 0 | 0 | 0 | 107 | |||
| 65 | N | 50.6 | Low | 66.4 | Low | 151 Ų | 151 | 78.2 Ų | 78.2 | 81% | 0.807 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 70 | 84.7 | 174.9 | -130.6 | 20.5 | 0 | 0 | 0 | 115.3 | Y67 | N65-Y67 PolarHBondContact O-N 3.25Š|
| 66 | S | 63.9 | Low | 67.3 | Low | 76 Ų | 76 | 74 Ų | 74 | 53% | 0.531 | 40% | 0.401 | S | S | . | . | trans | 17.1 | 97.8 | 164.4 | 62.4 | 0 | 0 | 0 | 0 | 115.9 | C68 | S66-C68 VanDerWaalsContact CB-O 3.25Å; S66-C68 WeakPolarHBondContact CB-O 3.27Å; S66-C68 CarbonylContact O-C 3.49Å; S66-C68 VanDerWaalsContact O-C 3.28Å; S66-C68 PolarHBondContact O-N 2.96Å; S66-C68 PolarHBondContact OG-O 2.97Å | ||
| 67 | Y | 72.9 | Confident | 67.6 | Low | 73 Ų | 73 | 78.1 Ų | 78.1 | 29% | 0.286 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -44.6 | -40.3 | 174.6 | 172.2 | -110.5 | 0 | 0 | 0 | 111.7 | N65 A82 C84 E93 R94 | N65-Y67 PolarHBondContact O-N 3.25Å; Y67-A82 HydrophobicContact CD1-CB 4.44Å; Y67-A82 HydrophobicContact CE1-CB 4.42Å; Y67-C84 WeakPolarHBondContact CD1-SG 3.2Å; Y67-C84 WeakPolarHBondContact CE1-SG 3.39Å; Y67-E93 PolarHBondContact OH-OE1 3.22Å; Y67-R94 HydrophobicContact CD2-CG 4.31Å; Y67-R94 HydrophobicContact CE2-CG 3.93Å; Y67-R94 WeakPolarHBondContact O-CB 3.42Å; Y67-R94 WeakPolarHBondContact O-CG 3.47Å; Y67-R94 PolarHBondContact O-NE 2.98Å; Y67-R94 PolarHBondContact O-NH2 3.22Å |
| 68 | C | 81.1 | Confident | 67.8 | Low | 7 Ų | 7 | 84.1 Ų | 84.1 | 5% | 0.047 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -90.9 | 117.8 | 167.4 | -47.3 | 0 | 0 | 0 | 0 | 110.4 | S66 G71 C84 | S66-C68 VanDerWaalsContact CB-O 3.25Å; S66-C68 WeakPolarHBondContact CB-O 3.27Å; S66-C68 CarbonylContact O-C 3.49Å; S66-C68 VanDerWaalsContact O-C 3.28Å; S66-C68 PolarHBondContact O-N 2.96Å; S66-C68 PolarHBondContact OG-O 2.97Å; C68-G71 WeakPolarHBondContact CB-O 3.24Å; C68-C84 WeakPolarHBondContact CA-SG 3.43Å; C68-C84 HydrophobicContact CB-CB 3.73Å; C68-C84 WeakPolarHBondContact CB-SG 3.27Å; C68-C84 WeakPolarHBondContact SG-CA 3.33Å; C68-C84 WeakPolarHBondContact SG-CB 3.31Å; C68-C84 CovalentContact SG-SG 2.03Å; C68-C84 PolarHBondContact SG-SG 2.87Å |
| 69 | I | 85.1 | Confident | 68 | Low | 82 Ų | 82 | 85.1 Ų | 85.1 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -75 | -51.6 | -177.3 | -53.9 | -178.2 | 0 | 0 | 0 | 110.2 | R94 E96 | I69-R94 PolarHBondContact N-O 3.03Å; I69-E96 HydrophobicContact CD1-CB 3.75Å |
| 70 | N | 85.8 | Confident | 68.3 | Low | 41 Ų | 41 | 87.3 Ų | 87.3 | 22% | 0.219 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -124.5 | 54.9 | -178.9 | -57.2 | -69.7 | 0 | 0 | 0 | 110.8 | F87 Y90 C95 | N70-F87 HydrophobicContact CB-CD2 4.46Å; N70-F87 WeakPolarHBondContact O-CD2 2.97Å; N70-F87 WeakPolarHBondContact O-CG 3.44Å; N70-F87 PolarHBondContact O-N 2.94Å; N70-Y90 HydrophobicContact CB-CD1 3.56Å; N70-Y90 HydrophobicContact CB-CD2 3.72Å; N70-Y90 HydrophobicContact CB-CE1 3.82Å; N70-Y90 HydrophobicContact CB-CE2 3.97Å; N70-Y90 HydrophobicContact CB-CG 3.5Å; N70-Y90 VanDerWaalsContact CB-CG 3.5Å; N70-Y90 VanDerWaalsContact ND2-CD1 3.29Å; N70-Y90 WeakPolarHBondContact ND2-CD1 3.44Å; N70-Y90 WeakPolarHBondContact ND2-CE1 3.18Å; N70-C95 HydrophobicContact CB-CB 4.29Å; N70-C95 PolarHBondContact ND2-O 3.27Å |
| 71 | G | 83.7 | Confident | 68.5 | Low | 14 Ų | 14 | 89.6 Ų | 89.6 | 14% | 0.144 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C68 R85 | C68-G71 WeakPolarHBondContact CB-O 3.24Å; G71-R85 CarbonylContact C-O 3.43Å; G71-R85 WeakPolarHBondContact CA-O 3.49Å |
| 72 | A | 83.4 | Confident | 69 | Low | 53 Ų | 53 | 84.2 Ų | 84.2 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | R85 | A72-R85 PolarHBondContact N-O 3.47Å; A72-R85 PolarHBondContact O-N 3.46Å |
| 73 | C | 81.1 | Confident | 70.3 | Confident | 47 Ų | 47 | 82 Ų | 82 | 32% | 0.318 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130.3 | 173.3 | -166.9 | 0 | 0 | 0 | 0 | 110 | C60 | C60-C73 HydrophobicContact CB-CB 3.81Å; C60-C73 WeakPolarHBondContact CB-SG 3.4Å; C60-C73 WeakPolarHBondContact SG-CB 3.5Å; C60-C73 CovalentContact SG-SG 2.06Å; C60-C73 PolarHBondContact SG-SG 3.34Å |
| 74 | A | 77.1 | Confident | 71.7 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I83 | A74-I83 PolarHBondContact N-O 3.26Å; A74-I83 PolarHBondContact O-N 3.38Å; A74-I83 VanDerWaalsContact O-O 3.12Å |
| 75 | F | 71.7 | Confident | 73.6 | Confident | 37 Ų | 37 | 78.3 Ų | 78.3 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.1 | 176.6 | -172.9 | -100.5 | 0 | 0 | 0 | 110.3 | F56 L59 E80 | F56-F75 HydrophobicContact CB-CD1 3.97Å; F56-F75 HydrophobicContact CB-CD2 4.43Å; F56-F75 HydrophobicContact CB-CE1 4.22Å; F56-F75 HydrophobicContact CB-CG 4.08Å; F56-F75 AromaticContact CD1-CD1 3.79Å; F56-F75 HydrophobicContact CD1-CD1 3.79Å; F56-F75 HydrophobicContact CD1-CD2 4.1Å; F56-F75 AromaticContact CD1-CE1 3.15Å; F56-F75 HydrophobicContact CD1-CE1 3.15Å; F56-F75 AromaticContact CD1-CE2 3.53Å; F56-F75 HydrophobicContact CD1-CE2 3.53Å; F56-F75 HydrophobicContact CD1-CG 4.22Å; F56-F75 AromaticContact CD1-CZ 3Å; F56-F75 HydrophobicContact CD1-CZ 3Å; F56-F75 HydrophobicContact CD2-CD1 4.37Å; F56-F75 HydrophobicContact CD2-CE1 4.05Å; F56-F75 HydrophobicContact CE1-CD1 4.35Å; F56-F75 AromaticContact CE1-CE1 3.31Å; F56-F75 HydrophobicContact CE1-CE1 3.31Å; F56-F75 AromaticContact CE1-CE2 3.99Å; F56-F75 HydrophobicContact CE1-CE2 3.99Å; F56-F75 AromaticContact CE1-CZ 3.08Å; F56-F75 HydrophobicContact CE1-CZ 3.08Å; F56-F75 HydrophobicContact CE2-CE1 4.12Å; F56-F75 AromaticContact CG-CD1 3.81Å; F56-F75 HydrophobicContact CG-CD1 3.81Å; F56-F75 AromaticContact CG-CE1 3.57Å; F56-F75 HydrophobicContact CG-CE1 3.57Å; F56-F75 HydrophobicContact CG-CE2 4.4Å; F56-F75 HydrophobicContact CG-CG 4.32Å; F56-F75 AromaticContact CG-CZ 3.9Å; F56-F75 HydrophobicContact CG-CZ 3.9Å; F56-F75 AromaticContact CZ-CE1 3.8Å; F56-F75 HydrophobicContact CZ-CE1 3.8Å; F56-F75 AromaticContact CZ-CZ 3.99Å; F56-F75 HydrophobicContact CZ-CZ 3.99Å; L59-F75 HydrophobicContact CD1-CD2 4.03Å; L59-F75 HydrophobicContact CD1-CE2 3.51Å; L59-F75 HydrophobicContact CD1-CZ 4.34Å; F75-E80 VanDerWaalsContact CE2-C 3.47Å; F75-E80 VanDerWaalsContact CZ-C 3.43Å; F75-E80 HydrophobicContact CZ-CB 4.37Å |
| 76 | H | 70.4 | Confident | 75.4 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.8 | 177 | -159.9 | -19 | 0 | 0 | 0 | 110.2 | E78 L79 E80 K81 I83 | H76-E78 VanDerWaalsContact C-N 3.33Å; H76-E78 PolarHBondContact O-N 3.09Å; H76-L79 HydrophobicContact CB-CD1 4.32Å; H76-L79 WeakPolarHBondContact CD2-CD1 3.19Å; H76-L79 PolarHBondContact O-N 3.4Å; H76-E80 PolarHBondContact O-N 3.47Å; H76-E80 VanDerWaalsContact O-N 3.12Å; H76-K81 PolarHBondContact N-O 3.42Å; H76-I83 HydrophobicContact CB-CD1 3.58Å; H76-I83 HydrophobicContact CB-CG1 4.24Å |
| 77 | H | 60.4 | Low | 76.5 | Confident | 139 Ų | 139 | 75.6 Ų | 75.6 | 64% | 0.644 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.3 | -172.7 | -75.3 | -72.7 | 0 | 0 | 0 | 115.4 | ||
| 78 | E | 59.8 | Low | 76.8 | Confident | 175 Ų | 175 | 79 Ų | 79 | 82% | 0.818 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -29.1 | -178 | -63.7 | -173.1 | 177.9 | 0 | 0 | 113.7 | H76 | H76-E78 VanDerWaalsContact C-N 3.33Å; H76-E78 PolarHBondContact O-N 3.09Å |
| 79 | L | 61.1 | Low | 76.7 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 58% | 0.581 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -4 | 179.5 | -68.5 | 99.2 | 0 | 0 | 0 | 112.7 | H76 K81 | H76-L79 HydrophobicContact CB-CD1 4.32Å; H76-L79 WeakPolarHBondContact CD2-CD1 3.19Å; H76-L79 PolarHBondContact O-N 3.4Å; L79-K81 HydrophobicContact CB-CB 4.46Å; L79-K81 PolarHBondContact O-N 3.01Å |
| 80 | E | 65.4 | Low | 76.6 | Confident | 151 Ų | 151 | 80.3 Ų | 80.3 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 29.3 | -174.3 | -61.6 | -176.1 | 158.9 | 0 | 0 | 113.8 | F75 H76 | F75-E80 VanDerWaalsContact CE2-C 3.47Å; F75-E80 VanDerWaalsContact CZ-C 3.43Å; F75-E80 HydrophobicContact CZ-CB 4.37Å; H76-E80 PolarHBondContact O-N 3.47Å; H76-E80 VanDerWaalsContact O-N 3.12Å |
| 81 | K | 67.4 | Low | 76.4 | Confident | 105 Ų | 105 | 81.5 Ų | 81.5 | 46% | 0.457 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.5 | -173.2 | -164.9 | -176.1 | 169.5 | -169.8 | 0 | 111.7 | H76 L79 E93 | H76-K81 PolarHBondContact N-O 3.42Å; L79-K81 HydrophobicContact CB-CB 4.46Å; L79-K81 PolarHBondContact O-N 3.01Å; K81-E93 IonicContact NZ-OE1 3.92Å; K81-E93 PolarHBondContact NZ-OE1 3.1Å |
| 82 | A | 73.6 | Confident | 76.4 | Confident | 13 Ų | 13 | 82.5 Ų | 82.5 | 11% | 0.107 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 136.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y67 | Y67-A82 HydrophobicContact CD1-CB 4.44Å; Y67-A82 HydrophobicContact CE1-CB 4.42Å |
| 83 | I | 80 | Confident | 76.4 | Confident | 69 Ų | 69 | 86 Ų | 86 | 35% | 0.354 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.1 | 179.8 | -57.2 | -178.7 | 0 | 0 | 0 | 109 | A74 H76 | A74-I83 PolarHBondContact N-O 3.26Å; A74-I83 PolarHBondContact O-N 3.38Å; A74-I83 VanDerWaalsContact O-O 3.12Å; H76-I83 HydrophobicContact CB-CD1 3.58Å; H76-I83 HydrophobicContact CB-CG1 4.24Å |
| 84 | C | 85.8 | Confident | 76.5 | Confident | 16 Ų | 16 | 88 Ų | 88 | 11% | 0.108 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133 | 176.6 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | Y67 C68 E93 | Y67-C84 WeakPolarHBondContact CD1-SG 3.2Å; Y67-C84 WeakPolarHBondContact CE1-SG 3.39Å; C68-C84 WeakPolarHBondContact CA-SG 3.43Å; C68-C84 HydrophobicContact CB-CB 3.73Å; C68-C84 WeakPolarHBondContact CB-SG 3.27Å; C68-C84 WeakPolarHBondContact SG-CA 3.33Å; C68-C84 WeakPolarHBondContact SG-CB 3.31Å; C68-C84 CovalentContact SG-SG 2.03Å; C68-C84 PolarHBondContact SG-SG 2.87Å; C84-E93 WeakPolarHBondContact CB-O 3.48Å |
| 85 | R | 85.9 | Confident | 77 | Confident | 181 Ų | 181 | 86.8 Ų | 86.8 | 68% | 0.683 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 108.3 | 165.9 | -69.9 | -176.9 | 173.4 | 151.2 | -0.9 | 109.2 | G71 A72 | G71-R85 CarbonylContact C-O 3.43Å; G71-R85 WeakPolarHBondContact CA-O 3.49Å; A72-R85 PolarHBondContact N-O 3.47Å; A72-R85 PolarHBondContact O-N 3.46Å |
| 86 | C | 87.4 | Confident | 77.7 | Confident | 49 Ų | 49 | 90.7 Ų | 90.7 | 33% | 0.331 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 144.6 | -174.6 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | Y90 C95 | C86-Y90 WeakPolarHBondContact CB-O 3.38Å; C86-C95 WeakPolarHBondContact CA-SG 3.5Å; C86-C95 HydrophobicContact CB-CB 3.65Å; C86-C95 WeakPolarHBondContact CB-SG 3.43Å; C86-C95 PolarHBondContact N-SG 3.48Å; C86-C95 VanDerWaalsContact N-SG 3.41Å; C86-C95 WeakPolarHBondContact SG-CA 3.05Å; C86-C95 WeakPolarHBondContact SG-CB 3.44Å; C86-C95 CovalentContact SG-SG 2.03Å; C86-C95 PolarHBondContact SG-SG 3.18Å |
| 87 | F | 86.4 | Confident | 78.3 | Confident | 121 Ų | 121 | 90.8 Ų | 90.8 | 53% | 0.531 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 159.8 | 169.2 | -61.5 | -32.5 | 0 | 0 | 0 | 111.3 | N70 G89 Y90 | N70-F87 HydrophobicContact CB-CD2 4.46Å; N70-F87 WeakPolarHBondContact O-CD2 2.97Å; N70-F87 WeakPolarHBondContact O-CG 3.44Å; N70-F87 PolarHBondContact O-N 2.94Å; F87-G89 PolarHBondContact O-N 2.88Å; F87-Y90 HydrophobicContact CB-CD2 4.25Å; F87-Y90 PolarHBondContact O-N 3.04Å |
| 88 | T | 80.8 | Confident | 79.2 | Confident | 145 Ų | 145 | 88.5 Ų | 88.5 | 89% | 0.89 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 124.4 | 179.2 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 89 | G | 77.4 | Confident | 79.7 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 36% | 0.361 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 10.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | F87 L98 T99 | F87-G89 PolarHBondContact O-N 2.88Å; G89-L98 CarbonylContact O-C 3.28Å; G89-L98 WeakPolarHBondContact O-CA 2.82Å; G89-L98 WeakPolarHBondContact O-CD1 3.35Å; G89-T99 VanDerWaalsContact CA-OG1 3.27Å; G89-T99 WeakPolarHBondContact CA-OG1 2.91Å; G89-T99 PolarHBondContact O-N 3.24Å; G89-T99 PolarHBondContact O-OG1 3.25Å; G89-T99 VanDerWaalsContact O-OG1 3.08Å |
| 90 | Y | 84.1 | Confident | 79.7 | Confident | 80 Ų | 80 | 82.8 Ų | 82.8 | 31% | 0.314 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 151.8 | 169.4 | -65 | -90.2 | 0 | 0 | 0 | 112.5 | N70 C86 F87 H97 L98 T99 | N70-Y90 HydrophobicContact CB-CD1 3.56Å; N70-Y90 HydrophobicContact CB-CD2 3.72Å; N70-Y90 HydrophobicContact CB-CE1 3.82Å; N70-Y90 HydrophobicContact CB-CE2 3.97Å; N70-Y90 HydrophobicContact CB-CG 3.5Å; N70-Y90 VanDerWaalsContact CB-CG 3.5Å; N70-Y90 VanDerWaalsContact ND2-CD1 3.29Å; N70-Y90 WeakPolarHBondContact ND2-CD1 3.44Å; N70-Y90 WeakPolarHBondContact ND2-CE1 3.18Å; C86-Y90 WeakPolarHBondContact CB-O 3.38Å; F87-Y90 HydrophobicContact CB-CD2 4.25Å; F87-Y90 PolarHBondContact O-N 3.04Å; Y90-H97 CarbonylContact C-O 3.54Å; Y90-H97 WeakPolarHBondContact CA-O 3.03Å; Y90-L98 HydrophobicContact CD1-CD1 3.87Å; Y90-L98 HydrophobicContact CD2-CD1 4.48Å; Y90-L98 HydrophobicContact CE1-CD1 3.33Å; Y90-L98 HydrophobicContact CE2-CD1 4.03Å; Y90-L98 HydrophobicContact CG-CD1 4.42Å; Y90-L98 VanDerWaalsContact CZ-CD1 3.43Å; Y90-T99 PolarHBondContact N-OG1 3.21Å; Y90-T99 VanDerWaalsContact N-OG1 3.12Å |
| 91 | T | 82.3 | Confident | 79.2 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 170.2 | 179.5 | -172 | 0 | 0 | 0 | 0 | 111.4 | C95 E96 H97 | T91-C95 CarbonylContact O-C 3.44Å; T91-C95 WeakPolarHBondContact O-CA 3.01Å; T91-E96 PolarHBondContact O-N 3.21Å; T91-H97 HydrophobicContact CG2-CB 3.89Å; T91-H97 PolarHBondContact N-O 3.4Å; T91-H97 WeakPolarHBondContact O-CB 3.26Å; T91-H97 PolarHBondContact O-N 3.35Å |
| 92 | G | 82.9 | Confident | 78.7 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 105.1 | 163.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R94 C95 | G92-R94 PolarHBondContact O-N 3.4Å; G92-R94 VanDerWaalsContact O-N 3.13Å; G92-C95 PolarHBondContact O-N 2.68Å; G92-C95 VanDerWaalsContact O-N 3.08Å |
| 93 | E | 82.9 | Confident | 77.6 | Confident | 126 Ų | 126 | 85.8 Ų | 85.8 | 59% | 0.589 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.5 | -178.1 | -174.5 | 178.9 | 177.6 | 0 | 0 | 112.1 | Y67 K81 C84 | Y67-E93 PolarHBondContact OH-OE1 3.22Å; K81-E93 IonicContact NZ-OE1 3.92Å; K81-E93 PolarHBondContact NZ-OE1 3.1Å; C84-E93 WeakPolarHBondContact CB-O 3.48Å |
| 94 | R | 84.4 | Confident | 76.4 | Confident | 89 Ų | 89 | 84.8 Ų | 84.8 | 34% | 0.336 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 9.7 | 179 | -61.6 | -178 | 64.8 | -152 | -3 | 114.1 | Y67 I69 G92 E96 | Y67-R94 HydrophobicContact CD2-CG 4.31Å; Y67-R94 HydrophobicContact CE2-CG 3.93Å; Y67-R94 WeakPolarHBondContact O-CB 3.42Å; Y67-R94 WeakPolarHBondContact O-CG 3.47Å; Y67-R94 PolarHBondContact O-NE 2.98Å; Y67-R94 PolarHBondContact O-NH2 3.22Å; I69-R94 PolarHBondContact N-O 3.03Å; G92-R94 PolarHBondContact O-N 3.4Å; G92-R94 VanDerWaalsContact O-N 3.13Å; R94-E96 VanDerWaalsContact C-N 3.27Å; R94-E96 PolarHBondContact O-N 2.81Å |
| 95 | C | 86.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 46% | 0.456 | C | S | . | . | S | Bend | trans | 58.8 | 37.2 | -176.1 | -46.1 | 0 | 0 | 0 | 0 | 113.6 | N70 C86 T91 G92 | N70-C95 HydrophobicContact CB-CB 4.29Å; N70-C95 PolarHBondContact ND2-O 3.27Å; C86-C95 WeakPolarHBondContact CA-SG 3.5Å; C86-C95 HydrophobicContact CB-CB 3.65Å; C86-C95 WeakPolarHBondContact CB-SG 3.43Å; C86-C95 PolarHBondContact N-SG 3.48Å; C86-C95 VanDerWaalsContact N-SG 3.41Å; C86-C95 WeakPolarHBondContact SG-CA 3.05Å; C86-C95 WeakPolarHBondContact SG-CB 3.44Å; C86-C95 CovalentContact SG-SG 2.03Å; C86-C95 PolarHBondContact SG-SG 3.18Å; T91-C95 CarbonylContact O-C 3.44Å; T91-C95 WeakPolarHBondContact O-CA 3.01Å; G92-C95 PolarHBondContact O-N 2.68Å; G92-C95 VanDerWaalsContact O-N 3.08Å |
| 96 | E | 85.8 | Confident | 73.9 | Confident | 120 Ų | 120 | 83.2 Ų | 83.2 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | trans | -82.7 | -21.8 | -177.8 | 64.6 | -154.9 | -154.5 | 0 | 0 | 113.5 | I69 T91 R94 | I69-E96 HydrophobicContact CD1-CB 3.75Å; T91-E96 PolarHBondContact O-N 3.21Å; R94-E96 VanDerWaalsContact C-N 3.27Å; R94-E96 PolarHBondContact O-N 2.81Å | ||
| 97 | H | 83.6 | Confident | 72.7 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 135.5 | -173.4 | -168.6 | 63.7 | 0 | 0 | 0 | 111.7 | Y90 T91 T101 | Y90-H97 CarbonylContact C-O 3.54Å; Y90-H97 WeakPolarHBondContact CA-O 3.03Å; T91-H97 HydrophobicContact CG2-CB 3.89Å; T91-H97 PolarHBondContact N-O 3.4Å; T91-H97 WeakPolarHBondContact O-CB 3.26Å; T91-H97 PolarHBondContact O-N 3.35Å; H97-T101 PolarHBondContact CD2-OG1 3.39Å; H97-T101 WeakPolarHBondContact NE2-CG2 3.36Å; H97-T101 PolarHBondContact NE2-OG1 3.01Å |
| 98 | L | 79.5 | Confident | 71.9 | Confident | 91 Ų | 91 | 82.2 Ų | 82.2 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 136.4 | 174.5 | -158.3 | 76.4 | 0 | 0 | 0 | 109.4 | G89 Y90 L100 | G89-L98 CarbonylContact O-C 3.28Å; G89-L98 WeakPolarHBondContact O-CA 2.82Å; G89-L98 WeakPolarHBondContact O-CD1 3.35Å; Y90-L98 HydrophobicContact CD1-CD1 3.87Å; Y90-L98 HydrophobicContact CD2-CD1 4.48Å; Y90-L98 HydrophobicContact CE1-CD1 3.33Å; Y90-L98 HydrophobicContact CE2-CD1 4.03Å; Y90-L98 HydrophobicContact CG-CD1 4.42Å; Y90-L98 VanDerWaalsContact CZ-CD1 3.43Å; L98-L100 PolarHBondContact O-N 3.43Å |
| 99 | T | 70.1 | Confident | 71.6 | Confident | 45 Ų | 45 | 80.5 Ų | 80.5 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 33.5 | -177.7 | -46.3 | 0 | 0 | 0 | 0 | 113.5 | G89 Y90 T101 | G89-T99 VanDerWaalsContact CA-OG1 3.27Å; G89-T99 WeakPolarHBondContact CA-OG1 2.91Å; G89-T99 PolarHBondContact O-N 3.24Å; G89-T99 PolarHBondContact O-OG1 3.25Å; G89-T99 VanDerWaalsContact O-OG1 3.08Å; Y90-T99 PolarHBondContact N-OG1 3.21Å; Y90-T99 VanDerWaalsContact N-OG1 3.12Å; T99-T101 VanDerWaalsContact C-N 3.35Å |
| 100 | L | 61.6 | Low | 71.6 | Confident | 121 Ų | 121 | 85.3 Ų | 85.3 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.8 | -34.6 | 169.2 | -153.8 | 177.2 | 0 | 0 | 0 | 110.2 | L98 S102 A104 | L98-L100 PolarHBondContact O-N 3.43Å; L100-S102 PolarHBondContact O-N 3.44Å; L100-A104 HydrophobicContact CD2-CB 4.34Å; L100-A104 VanDerWaalsContact O-CB 3.29Å; L100-A104 WeakPolarHBondContact O-CB 2.97Å; L100-A104 PolarHBondContact O-N 3.48Å |
| 101 | T | 55.6 | Low | 71.5 | Confident | 78 Ų | 78 | 89 Ų | 89 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -79.6 | -13 | -174.9 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | H97 T99 V105 | H97-T101 PolarHBondContact CD2-OG1 3.39Å; H97-T101 WeakPolarHBondContact NE2-CG2 3.36Å; H97-T101 PolarHBondContact NE2-OG1 3.01Å; T99-T101 VanDerWaalsContact C-N 3.35Å; T101-V105 WeakPolarHBondContact O-CB 3.24Å; T101-V105 WeakPolarHBondContact O-CG2 3.24Å |
| 102 | S | 55.2 | Low | 71.7 | Confident | 68 Ų | 68 | 89.9 Ų | 89.9 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -100 | -39.8 | 178.2 | -167.9 | 0 | 0 | 0 | 0 | 112.4 | L100 V105 D106 | L100-S102 PolarHBondContact O-N 3.44Å; S102-V105 PolarHBondContact O-N 3.28Å; S102-D106 PolarHBondContact O-N 3.3Å |
| 103 | Y | 51.3 | Low | 71.9 | Confident | 185 Ų | 185 | 91.2 Ų | 91.2 | 73% | 0.725 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -73.2 | -35.6 | -179.9 | -172.4 | -99.5 | 0 | 0 | 0 | 112.2 | V105 S107 | Y103-V105 PolarHBondContact O-N 3.35Å; Y103-S107 VanDerWaalsContact O-CB 3.24Å; Y103-S107 WeakPolarHBondContact O-CB 3.31Å; Y103-S107 PolarHBondContact O-N 3.37Å |
| 104 | A | 55.6 | Low | 72.2 | Confident | 48 Ų | 48 | 90.2 Ų | 90.2 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66 | -31.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L100 Y108 | L100-A104 HydrophobicContact CD2-CB 4.34Å; L100-A104 VanDerWaalsContact O-CB 3.29Å; L100-A104 WeakPolarHBondContact O-CB 2.97Å; L100-A104 PolarHBondContact O-N 3.48Å; A104-Y108 VanDerWaalsContact O-CB 3.31Å; A104-Y108 WeakPolarHBondContact O-CB 3.49Å; A104-Y108 WeakPolarHBondContact O-CD1 3.29Å; A104-Y108 VanDerWaalsContact O-CG 3.31Å; A104-Y108 PolarHBondContact O-N 3.37Å |
| 105 | V | 57.5 | Low | 72.5 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 38% | 0.376 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -86.2 | -30.1 | -174.1 | 177.1 | 0 | 0 | 0 | 0 | 113.4 | T101 S102 Y103 Y108 E109 | T101-V105 WeakPolarHBondContact O-CB 3.24Å; T101-V105 WeakPolarHBondContact O-CG2 3.24Å; S102-V105 PolarHBondContact O-N 3.28Å; Y103-V105 PolarHBondContact O-N 3.35Å; V105-Y108 HydrophobicContact CB-CD1 4.25Å; V105-Y108 HydrophobicContact CB-CE1 3.65Å; V105-Y108 HydrophobicContact CG1-CD1 4.46Å; V105-Y108 HydrophobicContact CG1-CE1 3.46Å; V105-Y108 VanDerWaalsContact CG1-CE1 3.46Å; V105-Y108 HydrophobicContact CG2-CE1 3.95Å; V105-Y108 WeakPolarHBondContact O-CD1 3.36Å; V105-Y108 WeakPolarHBondContact O-CE1 3.37Å; V105-E109 WeakPolarHBondContact O-CG 3Å |
| 106 | D | 60.2 | Low | 72.8 | Confident | 103 Ų | 103 | 93 Ų | 93 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -82.9 | -24.8 | 175.2 | -144.1 | -27.6 | 0 | 0 | 0 | 112.3 | S102 K110 | S102-D106 PolarHBondContact O-N 3.3Å; D106-K110 IonicContact OD1-NZ 3.99Å |
| 107 | S | 64.1 | Low | 73.1 | Confident | 41 Ų | 41 | 88.8 Ų | 88.8 | 29% | 0.287 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -81.3 | -46.9 | -178.8 | -164.2 | 0 | 0 | 0 | 0 | 112.2 | Y103 E109 Y111 | Y103-S107 VanDerWaalsContact O-CB 3.24Å; Y103-S107 WeakPolarHBondContact O-CB 3.31Å; Y103-S107 PolarHBondContact O-N 3.37Å; S107-E109 PolarHBondContact O-N 3.34Å; S107-Y111 WeakPolarHBondContact O-CD2 3.44Å; S107-Y111 WeakPolarHBondContact O-CE2 3.48Å; S107-Y111 WeakPolarHBondContact OG-CE2 3.27Å |
| 108 | Y | 69.6 | Low | 73.5 | Confident | 107 Ų | 107 | 88.4 Ų | 88.4 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.8 | -33 | -176.7 | 82 | -43.7 | 0 | 0 | 0 | 114.5 | A104 V105 K110 Y111 I112 | A104-Y108 VanDerWaalsContact O-CB 3.31Å; A104-Y108 WeakPolarHBondContact O-CB 3.49Å; A104-Y108 WeakPolarHBondContact O-CD1 3.29Å; A104-Y108 VanDerWaalsContact O-CG 3.31Å; A104-Y108 PolarHBondContact O-N 3.37Å; V105-Y108 HydrophobicContact CB-CD1 4.25Å; V105-Y108 HydrophobicContact CB-CE1 3.65Å; V105-Y108 HydrophobicContact CG1-CD1 4.46Å; V105-Y108 HydrophobicContact CG1-CE1 3.46Å; V105-Y108 VanDerWaalsContact CG1-CE1 3.46Å; V105-Y108 HydrophobicContact CG2-CE1 3.95Å; V105-Y108 WeakPolarHBondContact O-CD1 3.36Å; V105-Y108 WeakPolarHBondContact O-CE1 3.37Å; Y108-K110 VanDerWaalsContact C-N 3.3Å; Y108-K110 PolarHBondContact O-N 2.78Å; Y108-Y111 PolarHBondContact O-N 3.27Å; Y108-I112 HydrophobicContact CD2-CD1 3.36Å; Y108-I112 HydrophobicContact CE2-CD1 3.85Å; Y108-I112 HydrophobicContact CG-CD1 3.98Å; Y108-I112 WeakPolarHBondContact O-CB 3.36Å; Y108-I112 WeakPolarHBondContact O-CD1 3.39Å; Y108-I112 WeakPolarHBondContact O-CG1 3.38Å; Y108-I112 PolarHBondContact O-N 3.41Å |
| 109 | E | 73.4 | Confident | 74.2 | Confident | 110 Ų | 110 | 85.9 Ų | 85.9 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | -177 | -66 | -170.1 | 172 | 0 | 0 | 111.9 | V105 S107 I112 A113 | V105-E109 WeakPolarHBondContact O-CG 3Å; S107-E109 PolarHBondContact O-N 3.34Å; E109-I112 PolarHBondContact O-N 3.4Å; E109-A113 PolarHBondContact O-N 3.36Å; E109-A113 VanDerWaalsContact O-N 3.09Å |
| 110 | K | 76.8 | Confident | 75.4 | Confident | 135 Ų | 135 | 89.5 Ų | 89.5 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 177.3 | -66 | 172.4 | -175.8 | 159.2 | 0 | 111.1 | D106 Y108 I114 | D106-K110 IonicContact OD1-NZ 3.99Å; Y108-K110 VanDerWaalsContact C-N 3.3Å; Y108-K110 PolarHBondContact O-N 2.78Å; K110-I114 WeakPolarHBondContact O-CD1 3.21Å; K110-I114 VanDerWaalsContact O-CG1 3.26Å; K110-I114 WeakPolarHBondContact O-CG1 3.42Å; K110-I114 PolarHBondContact O-N 2.81Å |
| 111 | Y | 83.3 | Confident | 76.8 | Confident | 159 Ų | 159 | 87.9 Ų | 87.9 | 62% | 0.624 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.4 | -33.1 | 178.4 | -64.1 | -67.9 | 0 | 0 | 0 | 113.1 | S107 Y108 I114 G115 | S107-Y111 WeakPolarHBondContact O-CD2 3.44Å; S107-Y111 WeakPolarHBondContact O-CE2 3.48Å; S107-Y111 WeakPolarHBondContact OG-CE2 3.27Å; Y108-Y111 PolarHBondContact O-N 3.27Å; Y111-I114 PolarHBondContact O-N 3.43Å; Y111-G115 PolarHBondContact O-N 3.38Å |
| 112 | I | 86.4 | Confident | 78.5 | Confident | 83 Ų | 83 | 88.8 Ų | 88.8 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 175.1 | -70.1 | 163.2 | 0 | 0 | 0 | 110.3 | Y108 E109 I114 G115 I116 | Y108-I112 HydrophobicContact CD2-CD1 3.36Å; Y108-I112 HydrophobicContact CE2-CD1 3.85Å; Y108-I112 HydrophobicContact CG-CD1 3.98Å; Y108-I112 WeakPolarHBondContact O-CB 3.36Å; Y108-I112 WeakPolarHBondContact O-CD1 3.39Å; Y108-I112 WeakPolarHBondContact O-CG1 3.38Å; Y108-I112 PolarHBondContact O-N 3.41Å; E109-I112 PolarHBondContact O-N 3.4Å; I112-I114 PolarHBondContact O-N 3.38Å; I112-G115 PolarHBondContact O-N 3.29Å; I112-I116 HydrophobicContact CG2-CD1 3.89Å; I112-I116 WeakPolarHBondContact O-CG1 3.47Å; I112-I116 PolarHBondContact O-N 3.12Å |
| 113 | A | 86.6 | Confident | 80.4 | Confident | 65 Ų | 65 | 88.8 Ų | 88.8 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E109 I116 G117 | E109-A113 PolarHBondContact O-N 3.36Å; E109-A113 VanDerWaalsContact O-N 3.09Å; A113-I116 PolarHBondContact O-N 3.02Å; A113-G117 PolarHBondContact O-N 3.08Å |
| 114 | I | 89 | Confident | 82.3 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 53% | 0.533 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.9 | -65.5 | 165 | 0 | 0 | 0 | 110.7 | K110 Y111 I112 I116 G117 V118 | K110-I114 WeakPolarHBondContact O-CD1 3.21Å; K110-I114 VanDerWaalsContact O-CG1 3.26Å; K110-I114 WeakPolarHBondContact O-CG1 3.42Å; K110-I114 PolarHBondContact O-N 2.81Å; Y111-I114 PolarHBondContact O-N 3.43Å; I112-I114 PolarHBondContact O-N 3.38Å; I114-I116 PolarHBondContact O-N 3.03Å; I114-G117 PolarHBondContact O-N 3.13Å; I114-V118 HydrophobicContact CG2-CG2 4.28Å; I114-V118 WeakPolarHBondContact O-CG2 3.4Å; I114-V118 PolarHBondContact O-N 3.12Å |
| 115 | G | 90.8 | Very high | 83.8 | Confident | 45 Ų | 45 | 82.9 Ų | 82.9 | 46% | 0.464 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y111 I112 G119 | Y111-G115 PolarHBondContact O-N 3.38Å; I112-G115 PolarHBondContact O-N 3.29Å; G115-G119 PolarHBondContact O-N 3.08Å |
| 116 | I | 93.6 | Very high | 85.4 | Confident | 103 Ų | 103 | 85.6 Ų | 85.6 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.2 | -65.1 | 166.3 | 0 | 0 | 0 | 110.6 | I112 A113 I114 G119 L120 | I112-I116 HydrophobicContact CG2-CD1 3.89Å; I112-I116 WeakPolarHBondContact O-CG1 3.47Å; I112-I116 PolarHBondContact O-N 3.12Å; A113-I116 PolarHBondContact O-N 3.02Å; I114-I116 PolarHBondContact O-N 3.03Å; I116-G119 PolarHBondContact O-N 2.76Å; I116-L120 HydrophobicContact CG2-CD1 3.89Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CB 3.12Å; I116-L120 WeakPolarHBondContact O-CG 3Å; I116-L120 PolarHBondContact O-N 3.4Å |
| 117 | G | 91.8 | Very high | 86.9 | Confident | 31 Ų | 31 | 84.8 Ų | 84.8 | 32% | 0.32 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A113 I114 G119 L120 L121 | A113-G117 PolarHBondContact O-N 3.08Å; I114-G117 PolarHBondContact O-N 3.13Å; G117-G119 PolarHBondContact O-N 2.91Å; G117-L120 PolarHBondContact O-N 3.01Å; G117-L121 VanDerWaalsContact O-CG 3.27Å; G117-L121 WeakPolarHBondContact O-CG 3.3Å; G117-L121 PolarHBondContact O-N 2.03Å |
| 118 | V | 91.9 | Very high | 88 | Confident | 72 Ų | 72 | 88.1 Ų | 88.1 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 178.6 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | I114 L120 L121 L122 | I114-V118 HydrophobicContact CG2-CG2 4.28Å; I114-V118 WeakPolarHBondContact O-CG2 3.4Å; I114-V118 PolarHBondContact O-N 3.12Å; V118-L120 PolarHBondContact O-N 3.35Å; V118-L121 PolarHBondContact O-N 3.02Å; V118-L122 HydrophobicContact CG1-CD1 3.87Å; V118-L122 HydrophobicContact CG1-CG 4.34Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 2.73Å |
| 119 | G | 93.8 | Very high | 88.9 | Confident | 39 Ų | 39 | 89.2 Ų | 89.2 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G115 I116 G117 S123 | G115-G119 PolarHBondContact O-N 3.08Å; I116-G119 PolarHBondContact O-N 2.76Å; G117-G119 PolarHBondContact O-N 2.91Å; G119-S123 WeakPolarHBondContact O-CB 3.49Å; G119-S123 PolarHBondContact O-N 2.77Å |
| 120 | L | 95.3 | Very high | 89.5 | Confident | 121 Ų | 121 | 90.8 Ų | 90.8 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 177.4 | -71.4 | 175.8 | 0 | 0 | 0 | 112.2 | I116 G117 V118 G124 | I116-L120 HydrophobicContact CG2-CD1 3.89Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CB 3.12Å; I116-L120 WeakPolarHBondContact O-CG 3Å; I116-L120 PolarHBondContact O-N 3.4Å; G117-L120 PolarHBondContact O-N 3.01Å; V118-L120 PolarHBondContact O-N 3.35Å; L120-G124 PolarHBondContact O-N 2.06Å |
| 121 | L | 91.6 | Very high | 90.1 | Very high | 87 Ų | 87 | 87.6 Ų | 87.6 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -51.8 | 176.6 | -71.5 | 170.1 | 0 | 0 | 0 | 111 | F13 G117 V118 S123 G124 F125 | F13-L121 HydrophobicContact CE2-CD1 4.19Å; G117-L121 VanDerWaalsContact O-CG 3.27Å; G117-L121 WeakPolarHBondContact O-CG 3.3Å; G117-L121 PolarHBondContact O-N 2.03Å; V118-L121 PolarHBondContact O-N 3.02Å; L121-S123 PolarHBondContact O-N 2.98Å; L121-G124 PolarHBondContact O-N 2.86Å; L121-F125 HydrophobicContact CB-CE2 4.31Å; L121-F125 WeakPolarHBondContact O-CD2 2.99Å; L121-F125 WeakPolarHBondContact O-CG 3.35Å; L121-F125 PolarHBondContact O-N 2.03Å |
| 122 | L | 91.4 | Very high | 90.2 | Very high | 97 Ų | 97 | 84.1 Ų | 84.1 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 179.1 | -70.3 | 174.6 | 0 | 0 | 0 | 112.2 | V118 F125 L126 | V118-L122 HydrophobicContact CG1-CD1 3.87Å; V118-L122 HydrophobicContact CG1-CG 4.34Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 2.73Å; L122-F125 PolarHBondContact O-N 3.41Å; L122-L126 WeakPolarHBondContact O-CG 3.38Å; L122-L126 PolarHBondContact O-N 2.88Å |
| 123 | S | 93.8 | Very high | 89.9 | Confident | 68 Ų | 68 | 83.7 Ų | 83.7 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | G119 L121 F125 L126 V127 | G119-S123 WeakPolarHBondContact O-CB 3.49Å; G119-S123 PolarHBondContact O-N 2.77Å; L121-S123 PolarHBondContact O-N 2.98Å; S123-F125 PolarHBondContact O-N 3.02Å; S123-L126 PolarHBondContact O-N 2.81Å; S123-V127 WeakPolarHBondContact O-CG2 3.25Å; S123-V127 PolarHBondContact O-N 2.85Å |
| 124 | G | 91.5 | Very high | 89.6 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 31% | 0.309 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L120 L121 L126 V127 I128 | L120-G124 PolarHBondContact O-N 2.06Å; L121-G124 PolarHBondContact O-N 2.86Å; G124-L126 PolarHBondContact O-N 3Å; G124-V127 PolarHBondContact O-N 3.44Å; G124-I128 VanDerWaalsContact O-CG1 3.29Å; G124-I128 WeakPolarHBondContact O-CG1 3.42Å; G124-I128 PolarHBondContact O-N 3.37Å |
| 125 | F | 88.4 | Confident | 89.2 | Confident | 78 Ų | 78 | 89.8 Ų | 89.8 | 34% | 0.342 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.2 | -73.5 | -55.8 | 0 | 0 | 0 | 112.7 | V9 F13 L121 L122 S123 V127 I128 F129 | V9-F125 HydrophobicContact CG1-CD1 4.14Å; V9-F125 HydrophobicContact CG1-CE1 3.26Å; V9-F125 HydrophobicContact CG1-CZ 3.8Å; F13-F125 HydrophobicContact CD2-CE2 4.14Å; F13-F125 HydrophobicContact CE2-CE2 4.31Å; L121-F125 HydrophobicContact CB-CE2 4.31Å; L121-F125 WeakPolarHBondContact O-CD2 2.99Å; L121-F125 WeakPolarHBondContact O-CG 3.35Å; L121-F125 PolarHBondContact O-N 2.03Å; L122-F125 PolarHBondContact O-N 3.41Å; S123-F125 PolarHBondContact O-N 3.02Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.31Å; F125-I128 PolarHBondContact O-N 2.95Å; F125-F129 VanDerWaalsContact O-CB 3.25Å; F125-F129 WeakPolarHBondContact O-CB 2.97Å; F125-F129 PolarHBondContact O-N 2.89Å |
| 126 | L | 90.5 | Very high | 88.4 | Confident | 120 Ų | 120 | 93.4 Ų | 93.4 | 63% | 0.628 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 176.4 | -73.6 | 172.1 | 0 | 0 | 0 | 111.9 | L122 S123 G124 F129 Y130 | L122-L126 WeakPolarHBondContact O-CG 3.38Å; L122-L126 PolarHBondContact O-N 2.88Å; S123-L126 PolarHBondContact O-N 2.81Å; G124-L126 PolarHBondContact O-N 3Å; L126-F129 PolarHBondContact O-N 3.21Å; L126-Y130 VanDerWaalsContact O-CB 3.23Å; L126-Y130 WeakPolarHBondContact O-CB 3.14Å; L126-Y130 PolarHBondContact O-N 3.36Å |
| 127 | V | 91.4 | Very high | 87.1 | Confident | 85 Ų | 85 | 90.7 Ų | 90.7 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 111 | S123 G124 F125 Y130 C131 | S123-V127 WeakPolarHBondContact O-CG2 3.25Å; S123-V127 PolarHBondContact O-N 2.85Å; G124-V127 PolarHBondContact O-N 3.44Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.31Å; V127-Y130 PolarHBondContact O-N 3Å; V127-C131 VanDerWaalsContact O-CB 3.32Å; V127-C131 WeakPolarHBondContact O-CB 3.04Å; V127-C131 PolarHBondContact O-N 2.79Å; V127-C131 PolarHBondContact O-SG 3.24Å; V127-C131 VanDerWaalsContact O-SG 3.33Å |
| 128 | I | 87.9 | Confident | 85.9 | Confident | 112 Ų | 112 | 94 Ų | 94 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -45.6 | 177.5 | -66.9 | 166.1 | 0 | 0 | 0 | 110.4 | G124 F125 C131 Y132 | G124-I128 VanDerWaalsContact O-CG1 3.29Å; G124-I128 WeakPolarHBondContact O-CG1 3.42Å; G124-I128 PolarHBondContact O-N 3.37Å; F125-I128 PolarHBondContact O-N 2.95Å; I128-C131 PolarHBondContact O-N 2.94Å; I128-Y132 VanDerWaalsContact O-CB 3.29Å; I128-Y132 WeakPolarHBondContact O-CB 3.17Å; I128-Y132 PolarHBondContact O-N 3.23Å |
| 129 | F | 88 | Confident | 84.3 | Confident | 129 Ų | 129 | 98.9 Ų | 98.9 | 57% | 0.566 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 178.1 | -176.1 | -100.3 | 0 | 0 | 0 | 111.5 | F125 L126 C131 Y132 I133 | F125-F129 VanDerWaalsContact O-CB 3.25Å; F125-F129 WeakPolarHBondContact O-CB 2.97Å; F125-F129 PolarHBondContact O-N 2.89Å; L126-F129 PolarHBondContact O-N 3.21Å; F129-C131 PolarHBondContact O-N 3.43Å; F129-Y132 WeakPolarHBondContact O-CB 3.29Å; F129-Y132 PolarHBondContact O-N 3.37Å; F129-Y132 VanDerWaalsContact O-N 3.17Å; F129-I133 HydrophobicContact CD1-CG1 4.16Å; F129-I133 HydrophobicContact CE1-CD1 4.32Å; F129-I133 HydrophobicContact CE1-CG1 3.8Å; F129-I133 HydrophobicContact CE2-CD1 4.32Å; F129-I133 HydrophobicContact CE2-CG1 4.38Å; F129-I133 HydrophobicContact CZ-CD1 3.94Å; F129-I133 HydrophobicContact CZ-CG1 3.92Å; F129-I133 WeakPolarHBondContact O-CG1 3.45Å; F129-I133 PolarHBondContact O-N 3.19Å |
| 130 | Y | 86.6 | Confident | 82.6 | Confident | 143 Ų | 143 | 103.6 Ų | 103.6 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.2 | -46.8 | 175.4 | 176.4 | -97 | 0 | 0 | 0 | 112 | L126 V127 Y132 I133 R134 | L126-Y130 VanDerWaalsContact O-CB 3.23Å; L126-Y130 WeakPolarHBondContact O-CB 3.14Å; L126-Y130 PolarHBondContact O-N 3.36Å; V127-Y130 PolarHBondContact O-N 3Å; Y130-Y132 VanDerWaalsContact C-N 3.29Å; Y130-Y132 PolarHBondContact O-N 3.22Å; Y130-I133 PolarHBondContact O-N 3.16Å; Y130-R134 VanDerWaalsContact O-CB 3.31Å; Y130-R134 WeakPolarHBondContact O-CB 3.23Å; Y130-R134 PolarHBondContact O-N 3.18Å |
| 131 | C | 88.9 | Confident | 80.4 | Confident | 68 Ų | 68 | 105 Ų | 105 | 46% | 0.459 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 175.5 | -77.2 | 0 | 0 | 0 | 0 | 112 | V127 I128 F129 R134 K135 | V127-C131 VanDerWaalsContact O-CB 3.32Å; V127-C131 WeakPolarHBondContact O-CB 3.04Å; V127-C131 PolarHBondContact O-N 2.79Å; V127-C131 PolarHBondContact O-SG 3.24Å; V127-C131 VanDerWaalsContact O-SG 3.33Å; I128-C131 PolarHBondContact O-N 2.94Å; F129-C131 PolarHBondContact O-N 3.43Å; C131-R134 PolarHBondContact O-N 2.94Å; C131-K135 WeakPolarHBondContact O-CB 3.2Å; C131-K135 PolarHBondContact O-N 3.32Å |
| 132 | Y | 84 | Confident | 78.7 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 34% | 0.341 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 177 | 178.7 | -100.3 | 0 | 0 | 0 | 111.8 | A2 I128 F129 Y130 K135 R136 | A2-Y132 PolarHBondContact O-OH 3.32Å; I128-Y132 VanDerWaalsContact O-CB 3.29Å; I128-Y132 WeakPolarHBondContact O-CB 3.17Å; I128-Y132 PolarHBondContact O-N 3.23Å; F129-Y132 WeakPolarHBondContact O-CB 3.29Å; F129-Y132 PolarHBondContact O-N 3.37Å; F129-Y132 VanDerWaalsContact O-N 3.17Å; Y130-Y132 VanDerWaalsContact C-N 3.29Å; Y130-Y132 PolarHBondContact O-N 3.22Å; Y132-K135 PolarHBondContact O-N 3.25Å; Y132-R136 HydrophobicContact CD1-CG 4.27Å; Y132-R136 HydrophobicContact CE1-CG 3.97Å; Y132-R136 HydrophobicContact CE2-CG 4.25Å; Y132-R136 WeakPolarHBondContact O-CB 3.11Å; Y132-R136 VanDerWaalsContact O-CG 3.29Å; Y132-R136 WeakPolarHBondContact O-CG 3.5Å; Y132-R136 PolarHBondContact O-N 3.29Å; Y132-R136 PolarHBondContact OH-NE 3.39Å; Y132-R136 VanDerWaalsContact OH-NE 3.07Å; Y132-R136 PolarHBondContact OH-NH2 3.11Å |
| 133 | I | 80.4 | Confident | 77 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 174.6 | -64.3 | -61.4 | 0 | 0 | 0 | 109.9 | F129 Y130 K135 R136 C137 | F129-I133 HydrophobicContact CD1-CG1 4.16Å; F129-I133 HydrophobicContact CE1-CD1 4.32Å; F129-I133 HydrophobicContact CE1-CG1 3.8Å; F129-I133 HydrophobicContact CE2-CD1 4.32Å; F129-I133 HydrophobicContact CE2-CG1 4.38Å; F129-I133 HydrophobicContact CZ-CD1 3.94Å; F129-I133 HydrophobicContact CZ-CG1 3.92Å; F129-I133 WeakPolarHBondContact O-CG1 3.45Å; F129-I133 PolarHBondContact O-N 3.19Å; Y130-I133 PolarHBondContact O-N 3.16Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 3.36Å; I133-R136 PolarHBondContact O-N 2.86Å; I133-R136 VanDerWaalsContact O-N 3.15Å; I133-C137 WeakPolarHBondContact O-CB 3.14Å; I133-C137 PolarHBondContact O-N 3.34Å; I133-C137 PolarHBondContact O-SG 2.94Å |
| 134 | R | 81.8 | Confident | 74.9 | Confident | 154 Ų | 154 | 112.5 Ų | 112.5 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.2 | -43.8 | 177.7 | -170.9 | 176.8 | 176.6 | -171.6 | -0.4 | 111.9 | Y130 C131 C137 L138 | Y130-R134 VanDerWaalsContact O-CB 3.31Å; Y130-R134 WeakPolarHBondContact O-CB 3.23Å; Y130-R134 PolarHBondContact O-N 3.18Å; C131-R134 PolarHBondContact O-N 2.94Å; R134-C137 PolarHBondContact O-N 2.97Å; R134-L138 HydrophobicContact CG-CD1 4.19Å; R134-L138 WeakPolarHBondContact O-CB 3.47Å; R134-L138 WeakPolarHBondContact O-CG 3.19Å; R134-L138 PolarHBondContact O-N 3.26Å |
| 135 | K | 79.3 | Confident | 73 | Confident | 144 Ų | 144 | 117.3 Ų | 117.3 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66 | -39 | 177.2 | -171.2 | 175.6 | -177.7 | 178.5 | 0 | 112 | C131 Y132 I133 L138 K139 | C131-K135 WeakPolarHBondContact O-CB 3.2Å; C131-K135 PolarHBondContact O-N 3.32Å; Y132-K135 PolarHBondContact O-N 3.25Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 3.36Å; K135-L138 PolarHBondContact O-N 2.88Å; K135-K139 WeakPolarHBondContact O-CB 3.38Å; K135-K139 WeakPolarHBondContact O-CG 3.23Å; K135-K139 PolarHBondContact O-N 3.33Å |
| 136 | R | 75.5 | Confident | 71.3 | Confident | 120 Ų | 120 | 119.2 Ų | 119.2 | 45% | 0.453 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.8 | -45.3 | 174.4 | -76.6 | -71.7 | -161.2 | 153.7 | 12 | 111.8 | Y132 I133 L138 K139 L140 | Y132-R136 HydrophobicContact CD1-CG 4.27Å; Y132-R136 HydrophobicContact CE1-CG 3.97Å; Y132-R136 HydrophobicContact CE2-CG 4.25Å; Y132-R136 WeakPolarHBondContact O-CB 3.11Å; Y132-R136 VanDerWaalsContact O-CG 3.29Å; Y132-R136 WeakPolarHBondContact O-CG 3.5Å; Y132-R136 PolarHBondContact O-N 3.29Å; Y132-R136 PolarHBondContact OH-NE 3.39Å; Y132-R136 VanDerWaalsContact OH-NE 3.07Å; Y132-R136 PolarHBondContact OH-NH2 3.11Å; I133-R136 PolarHBondContact O-N 2.86Å; I133-R136 VanDerWaalsContact O-N 3.15Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 3.04Å; R136-K139 PolarHBondContact O-N 3.23Å; R136-L140 PolarHBondContact O-N 2.85Å |
| 137 | C | 66.4 | Low | 69.7 | Low | 46 Ų | 46 | 118.2 Ų | 118.2 | 31% | 0.311 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.3 | -36.2 | 175.6 | -65 | 0 | 0 | 0 | 0 | 112.1 | I133 R134 L140 K141 C147 | I133-C137 WeakPolarHBondContact O-CB 3.14Å; I133-C137 PolarHBondContact O-N 3.34Å; I133-C137 PolarHBondContact O-SG 2.94Å; R134-C137 PolarHBondContact O-N 2.97Å; C137-L140 PolarHBondContact O-N 2.75Å; C137-K141 PolarHBondContact O-N 2.77Å; C137-C147 PolarHBondContact SG-SG 3.36Å |
| 138 | L | 65.8 | Low | 67.9 | Low | 100 Ų | 100 | 118.9 Ų | 118.9 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.6 | -36.4 | 173.6 | -72.4 | 168.1 | 0 | 0 | 0 | 112.4 | R134 K135 R136 L140 K141 | R134-L138 HydrophobicContact CG-CD1 4.19Å; R134-L138 WeakPolarHBondContact O-CB 3.47Å; R134-L138 WeakPolarHBondContact O-CG 3.19Å; R134-L138 PolarHBondContact O-N 3.26Å; K135-L138 PolarHBondContact O-N 2.88Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 3.04Å; L138-L140 VanDerWaalsContact C-N 3.26Å; L138-L140 PolarHBondContact O-N 3.03Å; L138-K141 HydrophobicContact CD2-CD 4.25Å; L138-K141 PolarHBondContact O-N 2.81Å |
| 139 | K | 58.6 | Low | 66.2 | Low | 175 Ų | 175 | 117.2 Ų | 117.2 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.9 | -22.9 | 173.1 | -76.7 | -74.9 | 180 | 178.1 | 0 | 112.9 | K135 R136 | K135-K139 WeakPolarHBondContact O-CB 3.38Å; K135-K139 WeakPolarHBondContact O-CG 3.23Å; K135-K139 PolarHBondContact O-N 3.33Å; R136-K139 PolarHBondContact O-N 3.23Å |
| 140 | L | 57.2 | Low | 64.5 | Low | 139 Ų | 139 | 118.6 Ų | 118.6 | 73% | 0.728 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -1.5 | 174.2 | -117.6 | 76.4 | 0 | 0 | 0 | 114.2 | R136 C137 L138 S142 | R136-L140 PolarHBondContact O-N 2.85Å; C137-L140 PolarHBondContact O-N 2.75Å; L138-L140 VanDerWaalsContact C-N 3.26Å; L138-L140 PolarHBondContact O-N 3.03Å; L140-S142 PolarHBondContact O-N 3.47Å |
| 141 | K | 49.6 | Very low | 62.9 | Low | 149 Ų | 149 | 123.3 Ų | 123.3 | 65% | 0.648 | 63% | 0.629 | S | S | * | * | trans | -71.3 | 68.5 | 171.2 | -84.4 | -179.1 | 174.2 | -179.2 | 0 | 111.3 | C137 L138 | C137-K141 PolarHBondContact O-N 2.77Å; L138-K141 HydrophobicContact CD2-CD 4.25Å; L138-K141 PolarHBondContact O-N 2.81Å | ||
| 142 | S | 55.5 | Low | 60.6 | Low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -92.2 | 161.8 | 139.9 | -156.2 | 0 | 0 | 0 | 0 | 106.9 | L140 Y144 | L140-S142 PolarHBondContact O-N 3.47Å; S142-Y144 PolarHBondContact O-N 2.95Å |
| 143 | P | 55.1 | Low | 59.1 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -84.1 | 58.3 | -135.5 | 37.6 | -40.7 | 0 | 0 | 0 | 116.5 | ||
| 144 | Y | 50.7 | Low | 57.6 | Low | 202 Ų | 202 | 140.6 Ų | 140.6 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | trans | -163.5 | 115.3 | 153.5 | 45.4 | -88 | 0 | 0 | 0 | 110.3 | S142 | S142-Y144 PolarHBondContact O-N 2.95Š| ||
| 145 | N | 51.2 | Low | 56.4 | Low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | -94.5 | 111.6 | -172.5 | 40.3 | -66.5 | 0 | 0 | 0 | 111 | ||||
| 146 | V | 52.8 | Low | 55.1 | Low | 119 Ų | 119 | 139.7 Ų | 139.7 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | trans | -131.4 | 84.5 | 157.3 | -172.1 | 0 | 0 | 0 | 0 | 109 | S148 | V146-S148 WeakPolarHBondContact CG1-OG 3.23Š| ||
| 147 | C | 56.7 | Low | 54 | Low | 99 Ų | 99 | 140.8 Ų | 140.8 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | trans | -99.1 | 79.4 | 149.2 | -71.9 | 0 | 0 | 0 | 0 | 106.4 | C137 G149 | C137-C147 PolarHBondContact SG-SG 3.36Å; C147-G149 VanDerWaalsContact C-N 3.3Å; C147-G149 PolarHBondContact O-N 3.05Å | ||
| 148 | S | 53.8 | Low | 53.3 | Low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -72.5 | 89.9 | 169.2 | -72.4 | 0 | 0 | 0 | 0 | 108.7 | V146 E150 | V146-S148 WeakPolarHBondContact CG1-OG 3.23Å; S148-E150 VanDerWaalsContact C-N 3.31Å; S148-E150 PolarHBondContact O-N 2.82Å | ||
| 149 | G | 51.4 | Low | 52.5 | Low | 77 Ų | 77 | 149.3 Ų | 149.3 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -88 | 77.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108 | C147 R151 | C147-G149 VanDerWaalsContact C-N 3.3Å; C147-G149 PolarHBondContact O-N 3.05Å; G149-R151 PolarHBondContact O-N 3.02Å; G149-R151 VanDerWaalsContact O-N 3.09Å | ||
| 150 | E | 53.5 | Low | 52.1 | Low | 157 Ų | 157 | 147.6 Ų | 147.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -61 | 108.6 | 171.4 | -173 | 136.5 | 151.8 | 0 | 0 | 109.4 | S148 | S148-E150 VanDerWaalsContact C-N 3.31Å; S148-E150 PolarHBondContact O-N 2.82Å | ||
| 151 | R | 51.9 | Low | 51.7 | Low | 242 Ų | 242 | 148.2 Ų | 148.2 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | -135.2 | 85.3 | 152.5 | -111.6 | -164.1 | -121.4 | 170 | -0.9 | 107.6 | G149 | G149-R151 PolarHBondContact O-N 3.02Å; G149-R151 VanDerWaalsContact O-N 3.09Å | ||
| 152 | R | 42.5 | Very low | 51.9 | Low | 217 Ų | 217 | 148.2 Ų | 148.2 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -82.6 | 118.9 | 151.6 | -65.9 | -164.5 | -146.8 | -149.7 | 6.6 | 107.1 | ||||
| 153 | P | 51.9 | Low | 51.6 | Low | 125 Ų | 125 | 152.7 Ų | 152.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -78.6 | 130.4 | 155.3 | 16.7 | -1.4 | 0 | 0 | 0 | 108.1 | ||||
| 154 | L | 47.6 | Very low | 51.3 | Low | 250 Ų | 250 | 156.2 Ų | 156.2 | 100% | 1.309 | 81% | 0.814 | S | S | * | * | trans | -83.7 | 0 | 160.1 | -151.3 | 116.9 | 0 | 0 | 0 | 108.2 |
Retrieved 154 of 154 residues in 148.7 ms
(Link to these results)