| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.6 | Low | 80.3 | Confident | 230 Ų | 230 | 120.7 Ų | 120.7 | 100% | 1.133 | 61% | 0.607 | S | S | * | * | 0 | 12.7 | 0 | -67.8 | 179.9 | -87.2 | 0 | 0 | 114.7 | R3 | M1-R3 PolarHBondContact O-N 2.87Š| |||
| 2 | A | 67.8 | Low | 81 | Confident | 69 Ų | 69 | 121.3 Ų | 121.3 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.5 | -18.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G4 Q6 | A2-G4 PolarHBondContact O-N 2.92Å; A2-Q6 PolarHBondContact O-N 2.9Å |
| 3 | R | 75.2 | Confident | 81.5 | Confident | 223 Ų | 223 | 122.6 Ų | 122.6 | 84% | 0.842 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.7 | -31.3 | -179.3 | -86 | -175.3 | 153.3 | 105.5 | -0.7 | 113.7 | M1 K7 | M1-R3 PolarHBondContact O-N 2.87Å; R3-K7 PolarHBondContact O-N 3.31Å |
| 4 | G | 78.7 | Confident | 81.9 | Confident | 42 Ų | 42 | 120.5 Ų | 120.5 | 43% | 0.433 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.3 | -46.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2 Q6 K7 I8 | A2-G4 PolarHBondContact O-N 2.92Å; G4-Q6 PolarHBondContact O-N 3.1Å; G4-K7 PolarHBondContact O-N 2.88Å; G4-I8 WeakPolarHBondContact O-CG1 3.49Å; G4-I8 PolarHBondContact O-N 3.08Å; G4-I8 VanDerWaalsContact O-N 3.11Å |
| 5 | Q | 83.9 | Confident | 82.2 | Confident | 133 Ų | 133 | 116.2 Ų | 116.2 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.1 | -40.2 | 179.1 | -69.1 | 179.5 | -2.6 | 0 | 0 | 112.1 | K7 I8 Q9 | Q5-K7 VanDerWaalsContact C-N 3.31Å; Q5-K7 PolarHBondContact O-N 3.04Å; Q5-I8 PolarHBondContact O-N 3.41Å; Q5-Q9 WeakPolarHBondContact O-CB 3.11Å; Q5-Q9 WeakPolarHBondContact O-CG 3.28Å; Q5-Q9 PolarHBondContact O-N 3.15Å |
| 6 | Q | 82.9 | Confident | 82.4 | Confident | 126 Ų | 126 | 119.5 Ų | 119.5 | 59% | 0.589 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.9 | -39.8 | 175.2 | -80.8 | -176.6 | 0.9 | 0 | 0 | 112.4 | A2 G4 S10 | A2-Q6 PolarHBondContact O-N 2.9Å; G4-Q6 PolarHBondContact O-N 3.1Å; Q6-S10 VanDerWaalsContact O-CB 3.31Å; Q6-S10 WeakPolarHBondContact O-CB 3.43Å; Q6-S10 PolarHBondContact O-N 3.14Å; Q6-S10 PolarHBondContact O-OG 2.75Å |
| 7 | K | 85.7 | Confident | 82.5 | Confident | 144 Ų | 144 | 121.4 Ų | 121.4 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65 | -44.9 | 177.3 | -170.1 | 178.3 | -179.1 | -179.9 | 0 | 111.3 | R3 G4 Q5 S10 Q11 | R3-K7 PolarHBondContact O-N 3.31Å; G4-K7 PolarHBondContact O-N 2.88Å; Q5-K7 VanDerWaalsContact C-N 3.31Å; Q5-K7 PolarHBondContact O-N 3.04Å; K7-S10 PolarHBondContact O-N 3.05Å; K7-Q11 WeakPolarHBondContact O-CG 3.43Å; K7-Q11 PolarHBondContact O-N 3.48Å |
| 8 | I | 86.5 | Confident | 82.4 | Confident | 96 Ų | 96 | 120.2 Ų | 120.2 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.9 | -46.9 | 179.2 | -64.5 | 164.3 | 0 | 0 | 0 | 111 | G4 Q5 S10 Q11 Q12 | G4-I8 WeakPolarHBondContact O-CG1 3.49Å; G4-I8 PolarHBondContact O-N 3.08Å; G4-I8 VanDerWaalsContact O-N 3.11Å; Q5-I8 PolarHBondContact O-N 3.41Å; I8-S10 VanDerWaalsContact C-N 3.27Å; I8-S10 PolarHBondContact O-N 2.85Å; I8-Q11 PolarHBondContact O-N 3.34Å; I8-Q12 PolarHBondContact O-N 3.08Å |
| 9 | Q | 87.5 | Confident | 82.4 | Confident | 95 Ų | 95 | 116.7 Ų | 116.7 | 44% | 0.444 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.3 | -39.2 | 176.4 | -72.5 | -179.2 | 37 | 0 | 0 | 111.9 | Q5 Q12 R13 | Q5-Q9 WeakPolarHBondContact O-CB 3.11Å; Q5-Q9 WeakPolarHBondContact O-CG 3.28Å; Q5-Q9 PolarHBondContact O-N 3.15Å; Q9-Q12 PolarHBondContact O-N 3.35Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 WeakPolarHBondContact O-CG 3.37Å; Q9-R13 PolarHBondContact O-N 3.32Å |
| 10 | S | 86.9 | Confident | 82 | Confident | 55 Ų | 55 | 116.2 Ų | 116.2 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -39.8 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | Q6 K7 I8 R13 N14 | Q6-S10 VanDerWaalsContact O-CB 3.31Å; Q6-S10 WeakPolarHBondContact O-CB 3.43Å; Q6-S10 PolarHBondContact O-N 3.14Å; Q6-S10 PolarHBondContact O-OG 2.75Å; K7-S10 PolarHBondContact O-N 3.05Å; I8-S10 VanDerWaalsContact C-N 3.27Å; I8-S10 PolarHBondContact O-N 2.85Å; S10-R13 PolarHBondContact O-N 2.64Å; S10-R13 PolarHBondContact OG-NH2 2.82Å; S10-N14 WeakPolarHBondContact O-CB 3.22Å; S10-N14 PolarHBondContact O-N 3.49Å |
| 11 | Q | 86.7 | Confident | 81.5 | Confident | 115 Ų | 115 | 118 Ų | 118 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -44.1 | 173.5 | -71.8 | 178.5 | 35.4 | 0 | 0 | 111.9 | K7 I8 N14 A15 | K7-Q11 WeakPolarHBondContact O-CG 3.43Å; K7-Q11 PolarHBondContact O-N 3.48Å; I8-Q11 PolarHBondContact O-N 3.34Å; Q11-N14 PolarHBondContact O-N 2.92Å; Q11-A15 VanDerWaalsContact O-CB 3.27Å; Q11-A15 WeakPolarHBondContact O-CB 3.41Å; Q11-A15 PolarHBondContact O-N 3.26Å |
| 12 | Q | 88.4 | Confident | 82 | Confident | 128 Ų | 128 | 114.9 Ų | 114.9 | 60% | 0.598 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62 | -43.5 | 176.1 | -75.4 | -179.5 | 1.8 | 0 | 0 | 112 | I8 Q9 N14 A15 K16 | I8-Q12 PolarHBondContact O-N 3.08Å; Q9-Q12 PolarHBondContact O-N 3.35Å; Q12-N14 PolarHBondContact O-N 3.4Å; Q12-A15 PolarHBondContact O-N 3.23Å; Q12-K16 WeakPolarHBondContact O-CB 3.15Å; Q12-K16 PolarHBondContact O-N 2.88Å |
| 13 | R | 88.4 | Confident | 82.1 | Confident | 138 Ų | 138 | 117.6 Ų | 117.6 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -43.6 | 174.8 | -75.3 | -171 | -65.3 | -116 | 2.1 | 111.6 | Q9 S10 K16 K17 | Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 WeakPolarHBondContact O-CG 3.37Å; Q9-R13 PolarHBondContact O-N 3.32Å; S10-R13 PolarHBondContact O-N 2.64Å; S10-R13 PolarHBondContact OG-NH2 2.82Å; R13-K16 PolarHBondContact O-N 3.26Å; R13-K17 WeakPolarHBondContact O-CG 3.21Å; R13-K17 PolarHBondContact O-N 2.84Å |
| 14 | N | 86.2 | Confident | 81.5 | Confident | 93 Ų | 93 | 112.4 Ų | 112.4 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.7 | -41 | 179.2 | -162.7 | 46.5 | 0 | 0 | 0 | 112 | S10 Q11 Q12 K17 Q18 | S10-N14 WeakPolarHBondContact O-CB 3.22Å; S10-N14 PolarHBondContact O-N 3.49Å; Q11-N14 PolarHBondContact O-N 2.92Å; Q12-N14 PolarHBondContact O-N 3.4Å; N14-K17 PolarHBondContact O-N 3.45Å; N14-Q18 PolarHBondContact ND2-NE2 3.23Å; N14-Q18 WeakPolarHBondContact O-CB 3.23Å; N14-Q18 WeakPolarHBondContact O-CG 3.11Å; N14-Q18 PolarHBondContact O-N 3.48Å |
| 15 | A | 86.5 | Confident | 80.8 | Confident | 56 Ų | 56 | 114.5 Ų | 114.5 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.7 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q11 Q12 Q18 A19 | Q11-A15 VanDerWaalsContact O-CB 3.27Å; Q11-A15 WeakPolarHBondContact O-CB 3.41Å; Q11-A15 PolarHBondContact O-N 3.26Å; Q12-A15 PolarHBondContact O-N 3.23Å; A15-Q18 PolarHBondContact O-N 3.31Å; A15-A19 VanDerWaalsContact O-CB 3.32Å; A15-A19 WeakPolarHBondContact O-CB 3.4Å; A15-A19 PolarHBondContact O-N 3.39Å |
| 16 | K | 86 | Confident | 79.8 | Confident | 169 Ų | 169 | 115 Ų | 115 | 74% | 0.735 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.2 | -42.5 | 175.9 | -168.8 | 173.1 | -180 | 179.5 | 0 | 112.1 | Q12 R13 A19 D20 | Q12-K16 WeakPolarHBondContact O-CB 3.15Å; Q12-K16 PolarHBondContact O-N 2.88Å; R13-K16 PolarHBondContact O-N 3.26Å; K16-A19 PolarHBondContact O-N 2.9Å; K16-D20 WeakPolarHBondContact O-CB 3.21Å; K16-D20 PolarHBondContact O-N 2.82Å |
| 17 | K | 84.5 | Confident | 79 | Confident | 151 Ų | 151 | 113.4 Ų | 113.4 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.6 | -44.9 | 173.8 | -74.7 | -179.1 | 179.7 | -168.7 | 0 | 111.9 | R13 N14 D20 L21 | R13-K17 WeakPolarHBondContact O-CG 3.21Å; R13-K17 PolarHBondContact O-N 2.84Å; N14-K17 PolarHBondContact O-N 3.45Å; K17-D20 PolarHBondContact O-N 3.49Å; K17-L21 WeakPolarHBondContact O-CB 3.1Å; K17-L21 PolarHBondContact O-N 3.09Å |
| 18 | Q | 80.6 | Confident | 77.9 | Confident | 100 Ų | 100 | 110.6 Ų | 110.6 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -37.8 | 176.5 | -74 | -167.9 | 87.2 | 0 | 0 | 112.1 | N14 A15 D20 L21 K22 | N14-Q18 PolarHBondContact ND2-NE2 3.23Å; N14-Q18 WeakPolarHBondContact O-CB 3.23Å; N14-Q18 WeakPolarHBondContact O-CG 3.11Å; N14-Q18 PolarHBondContact O-N 3.48Å; A15-Q18 PolarHBondContact O-N 3.31Å; Q18-D20 VanDerWaalsContact C-N 3.33Å; Q18-L21 PolarHBondContact O-N 2.78Å; Q18-K22 VanDerWaalsContact O-CB 3.29Å; Q18-K22 WeakPolarHBondContact O-CB 3.49Å; Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.12Å |
| 19 | A | 80.9 | Confident | 77 | Confident | 55 Ų | 55 | 114.5 Ų | 114.5 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A15 K16 K22 K23 | A15-A19 VanDerWaalsContact O-CB 3.32Å; A15-A19 WeakPolarHBondContact O-CB 3.4Å; A15-A19 PolarHBondContact O-N 3.39Å; K16-A19 PolarHBondContact O-N 2.9Å; A19-K22 PolarHBondContact O-N 3.39Å; A19-K23 PolarHBondContact O-N 3.21Å; A19-K23 VanDerWaalsContact O-N 3.09Å |
| 20 | D | 75.8 | Confident | 76.1 | Confident | 105 Ų | 105 | 116.3 Ų | 116.3 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.8 | -41.2 | 176.4 | -159.1 | -111.6 | 0 | 0 | 0 | 112.3 | K16 K17 Q18 K22 K23 | K16-D20 WeakPolarHBondContact O-CB 3.21Å; K16-D20 PolarHBondContact O-N 2.82Å; K17-D20 PolarHBondContact O-N 3.49Å; Q18-D20 VanDerWaalsContact C-N 3.33Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.23Å; D20-K23 WeakPolarHBondContact O-CB 3.46Å; D20-K23 PolarHBondContact O-N 2.84Å; D20-K23 WeakPolarHBondContact OD2-CD 3.49Å; D20-K23 VanDerWaalsContact OD2-CE 3.29Å; D20-K23 WeakPolarHBondContact OD2-CE 3.23Å |
| 21 | L | 71.7 | Confident | 75.1 | Confident | 156 Ų | 156 | 116.4 Ų | 116.4 | 82% | 0.817 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68 | -26.8 | 175.2 | -142 | 72.4 | 0 | 0 | 0 | 113.1 | K17 Q18 | K17-L21 WeakPolarHBondContact O-CB 3.1Å; K17-L21 PolarHBondContact O-N 3.09Å; Q18-L21 PolarHBondContact O-N 2.78Å |
| 22 | K | 71.3 | Confident | 74.1 | Confident | 164 Ų | 164 | 113.5 Ų | 113.5 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.4 | -17.5 | 175.5 | -76 | 177.3 | -176.5 | -165.2 | 0 | 113.5 | Q18 A19 D20 | Q18-K22 VanDerWaalsContact O-CB 3.29Å; Q18-K22 WeakPolarHBondContact O-CB 3.49Å; Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.12Å; A19-K22 PolarHBondContact O-N 3.39Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.23Å |
| 23 | K | 70.3 | Confident | 73.1 | Confident | 126 Ų | 126 | 110.2 Ų | 110.2 | 55% | 0.548 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -56.2 | 128.5 | 163.3 | -64.3 | 165.6 | -170.5 | -77.9 | 0 | 104.3 | A19 D20 A25 | A19-K23 PolarHBondContact O-N 3.21Å; A19-K23 VanDerWaalsContact O-N 3.09Å; D20-K23 WeakPolarHBondContact O-CB 3.46Å; D20-K23 PolarHBondContact O-N 2.84Å; D20-K23 WeakPolarHBondContact OD2-CD 3.49Å; D20-K23 VanDerWaalsContact OD2-CE 3.29Å; D20-K23 WeakPolarHBondContact OD2-CE 3.23Å; K23-A25 VanDerWaalsContact C-N 3.34Å; K23-A25 PolarHBondContact O-N 3.1Å |
| 24 | P | 62.5 | Low | 72.1 | Confident | 114 Ų | 114 | 110.3 Ų | 110.3 | 74% | 0.74 | 60% | 0.597 | S | S | * | * | trans | -53.7 | 111.7 | 173.9 | 23.8 | -31.7 | 0 | 0 | 0 | 104.7 | I26 | P24-I26 PolarHBondContact O-N 2.84Š| ||
| 25 | A | 63.2 | Low | 71.3 | Confident | 85 Ų | 85 | 107.8 Ų | 107.8 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | trans | -53.9 | 107.6 | 168 | 0 | 0 | 0 | 0 | 0 | 102.3 | K23 D27 | K23-A25 VanDerWaalsContact C-N 3.34Å; K23-A25 PolarHBondContact O-N 3.1Å; A25-D27 VanDerWaalsContact C-N 3.25Å; A25-D27 WeakPolarHBondContact O-CA 3.22Å; A25-D27 PolarHBondContact O-N 3.16Å | ||
| 26 | I | 63.8 | Low | 70.7 | Confident | 144 Ų | 144 | 108.1 Ų | 108.1 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | trans | -50.3 | 109.5 | 170.8 | -67.1 | 171.4 | 0 | 0 | 0 | 101.7 | P24 S28 | P24-I26 PolarHBondContact O-N 2.84Å; I26-S28 WeakPolarHBondContact O-CA 3.36Å; I26-S28 PolarHBondContact O-N 3.43Å; I26-S28 PolarHBondContact O-OG 3.01Å | ||
| 27 | D | 64.8 | Low | 70.3 | Confident | 92 Ų | 92 | 106.6 Ų | 106.6 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | trans | -67.8 | 85 | -160.8 | -172.2 | -83.3 | 0 | 0 | 0 | 107.1 | A25 K29 K30 A31 | A25-D27 VanDerWaalsContact C-N 3.25Å; A25-D27 WeakPolarHBondContact O-CA 3.22Å; A25-D27 PolarHBondContact O-N 3.16Å; D27-K29 PolarHBondContact O-N 3.36Å; D27-K30 HydrophobicContact CB-CB 4.3Å; D27-K30 PolarHBondContact O-N 3.29Å; D27-K30 VanDerWaalsContact O-N 3.13Å; D27-K30 WeakPolarHBondContact OD1-CA 3.38Å; D27-K30 WeakPolarHBondContact OD1-CB 3.47Å; D27-K30 PolarHBondContact OD1-N 3.2Å; D27-A31 PolarHBondContact O-N 2.99Å | ||
| 28 | S | 64.2 | Low | 70 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 59% | 0.594 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.3 | -20.1 | -168.3 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | I26 A32 | I26-S28 WeakPolarHBondContact O-CA 3.36Å; I26-S28 PolarHBondContact O-N 3.43Å; I26-S28 PolarHBondContact O-OG 3.01Å; S28-A32 WeakPolarHBondContact O-CB 3.01Å; S28-A32 PolarHBondContact O-N 2.85Å |
| 29 | K | 67.5 | Low | 70.1 | Confident | 179 Ų | 179 | 99.3 Ų | 99.3 | 78% | 0.778 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.5 | -48.9 | 170.6 | -69.4 | -172.1 | 177.7 | -173.7 | 0 | 111.9 | D27 A32 A33 | D27-K29 PolarHBondContact O-N 3.36Å; K29-A32 PolarHBondContact O-N 3.46Å; K29-A33 WeakPolarHBondContact O-CB 3.48Å; K29-A33 PolarHBondContact O-N 3.38Å |
| 30 | K | 67.3 | Low | 70.3 | Confident | 133 Ų | 133 | 96.7 Ų | 96.7 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.5 | -37.1 | 177.4 | -173.9 | 175.8 | -171 | 177.4 | 0 | 111.2 | D27 K34 | D27-K30 HydrophobicContact CB-CB 4.3Å; D27-K30 PolarHBondContact O-N 3.29Å; D27-K30 VanDerWaalsContact O-N 3.13Å; D27-K30 WeakPolarHBondContact OD1-CA 3.38Å; D27-K30 WeakPolarHBondContact OD1-CB 3.47Å; D27-K30 PolarHBondContact OD1-N 3.2Å; K30-K34 VanDerWaalsContact O-CB 3.3Å; K30-K34 WeakPolarHBondContact O-CB 3.11Å; K30-K34 VanDerWaalsContact O-CG 3.23Å; K30-K34 WeakPolarHBondContact O-CG 3.27Å; K30-K34 PolarHBondContact O-N 3.41Å |
| 31 | A | 66.8 | Low | 70.6 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D27 K34 A35 | D27-A31 PolarHBondContact O-N 2.99Å; A31-K34 PolarHBondContact O-N 3.08Å; A31-A35 PolarHBondContact O-N 3.22Å |
| 32 | A | 66.3 | Low | 71.2 | Confident | 54 Ų | 54 | 90.8 Ų | 90.8 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S28 K29 K34 A35 L36 | S28-A32 WeakPolarHBondContact O-CB 3.01Å; S28-A32 PolarHBondContact O-N 2.85Å; K29-A32 PolarHBondContact O-N 3.46Å; A32-K34 VanDerWaalsContact C-N 3.29Å; A32-K34 PolarHBondContact O-N 2.9Å; A32-A35 WeakPolarHBondContact O-CB 3.05Å; A32-A35 PolarHBondContact O-N 2.57Å; A32-A35 VanDerWaalsContact O-N 3.08Å; A32-L36 WeakPolarHBondContact O-CG 3.43Å; A32-L36 PolarHBondContact O-N 3.13Å |
| 33 | A | 67.3 | Low | 72.1 | Confident | 59 Ų | 59 | 85.6 Ų | 85.6 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K29 A35 L36 | K29-A33 WeakPolarHBondContact O-CB 3.48Å; K29-A33 PolarHBondContact O-N 3.38Å; A33-A35 VanDerWaalsContact C-N 3.32Å; A33-L36 PolarHBondContact O-N 2.68Å |
| 34 | K | 66.6 | Low | 72.7 | Confident | 139 Ų | 139 | 87.6 Ų | 87.6 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.1 | -34 | 172.4 | -78.7 | -178.7 | 176 | -156.6 | 0 | 112.4 | K30 A31 A32 L36 H37 | K30-K34 VanDerWaalsContact O-CB 3.3Å; K30-K34 WeakPolarHBondContact O-CB 3.11Å; K30-K34 VanDerWaalsContact O-CG 3.23Å; K30-K34 WeakPolarHBondContact O-CG 3.27Å; K30-K34 PolarHBondContact O-N 3.41Å; A31-K34 PolarHBondContact O-N 3.08Å; A32-K34 VanDerWaalsContact C-N 3.29Å; A32-K34 PolarHBondContact O-N 2.9Å; K34-L36 PolarHBondContact O-N 2.8Å; K34-H37 PolarHBondContact O-CE1 2.75Å; K34-H37 PolarHBondContact O-ND1 2.92Å; K34-H37 PolarHBondContact O-NE2 3.39Å; K34-H37 VanDerWaalsContact O-NE2 3.1Å |
| 35 | A | 70.3 | Confident | 73.7 | Confident | 41 Ų | 41 | 85.3 Ų | 85.3 | 34% | 0.339 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.2 | -20.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A31 A32 A33 H37 P48 | A31-A35 PolarHBondContact O-N 3.22Å; A32-A35 WeakPolarHBondContact O-CB 3.05Å; A32-A35 PolarHBondContact O-N 2.57Å; A32-A35 VanDerWaalsContact O-N 3.08Å; A33-A35 VanDerWaalsContact C-N 3.32Å; A35-H37 VanDerWaalsContact C-N 3.32Å; A35-H37 PolarHBondContact O-CD2 2.75Å; A35-H37 PolarHBondContact O-N 2.8Å; A35-P48 CarbonylContact O-C 3.48Å; A35-P48 WeakPolarHBondContact O-CA 3.3Å |
| 36 | L | 73.2 | Confident | 74.6 | Confident | 62 Ų | 62 | 86.3 Ų | 86.3 | 33% | 0.325 | 47% | 0.471 | S | S | . | . | trans | -78.8 | 76.8 | 175.8 | -65.7 | 178.1 | 0 | 0 | 0 | 111.1 | A32 A33 K34 Q46 P48 | A32-L36 WeakPolarHBondContact O-CG 3.43Å; A32-L36 PolarHBondContact O-N 3.13Å; A33-L36 PolarHBondContact O-N 2.68Å; K34-L36 PolarHBondContact O-N 2.8Å; L36-Q46 HydrophobicContact CB-CB 3.99Å; L36-Q46 HydrophobicContact CD1-CB 4.14Å; L36-Q46 HydrophobicContact CG-CB 4.43Å; L36-P48 HydrophobicContact CD2-CB 3.99Å; L36-P48 HydrophobicContact CD2-CG 4.14Å | ||
| 37 | H | 76.4 | Confident | 75.5 | Confident | 137 Ų | 137 | 79.8 Ų | 79.8 | 63% | 0.634 | 44% | 0.438 | S | S | * | . | trans | -82.4 | -30.9 | -174.2 | -66.4 | -68.6 | 0 | 0 | 0 | 114.3 | K34 A35 | K34-H37 PolarHBondContact O-CE1 2.75Å; K34-H37 PolarHBondContact O-ND1 2.92Å; K34-H37 PolarHBondContact O-NE2 3.39Å; K34-H37 VanDerWaalsContact O-NE2 3.1Å; A35-H37 VanDerWaalsContact C-N 3.32Å; A35-H37 PolarHBondContact O-CD2 2.75Å; A35-H37 PolarHBondContact O-N 2.8Å | ||
| 38 | H | 79.4 | Confident | 76.2 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 17% | 0.167 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.8 | -169.8 | -52.6 | -76.1 | 0 | 0 | 0 | 110.4 | Q46 V47 V50 Y53 | H38-Q46 CarbonylContact O-C 3.51Å; H38-Q46 VanDerWaalsContact O-CA 3.27Å; H38-Q46 WeakPolarHBondContact O-CA 3.23Å; H38-V47 HydrophobicContact CB-CG2 3.75Å; H38-V47 PolarHBondContact N-O 2.96Å; H38-V47 PolarHBondContact O-N 3.09Å; H38-V50 WeakPolarHBondContact NE2-CG2 3.35Å; H38-Y53 HydrophobicContact CB-CD1 3.87Å; H38-Y53 HydrophobicContact CB-CE1 4.29Å; H38-Y53 HydrophobicContact CB-CG 4.22Å |
| 39 | T | 82.4 | Confident | 77 | Confident | 63 Ų | 63 | 77 Ų | 77 | 39% | 0.387 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.3 | 178 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | P41 | T39-P41 WeakPolarHBondContact O-CD 3.46Å |
| 40 | C | 84.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | trans | -65.6 | 124.9 | 176.3 | -178 | 0 | 0 | 0 | 0 | 111.1 | V42 C43 K44 T45 Y53 H56 | C40-V42 PolarHBondContact O-N 2.77Å; C40-C43 PolarHBondContact SG-SG 3.24Å; C40-K44 WeakPolarHBondContact O-CA 3.21Å; C40-K44 PolarHBondContact O-N 3.47Å; C40-T45 PolarHBondContact N-O 3.3Å; C40-Y53 HydrophobicContact CB-CE2 3.87Å; C40-H56 PolarHBondContact SG-NE2 3.28Å; C40-H56 VanDerWaalsContact SG-NE2 3.39Å | ||
| 41 | P | 83 | Confident | 78.3 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 47% | 0.468 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -21.2 | 179.3 | 27.7 | -34.1 | 0 | 0 | 0 | 112.5 | T39 Y53 P67 | T39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-Y53 WeakPolarHBondContact CD-OH 3.29Å; P41-P67 HydrophobicContact CG-CB 3.93Å; P41-P67 HydrophobicContact CG-CG 4.08Å |
| 42 | V | 85 | Confident | 79.1 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 39% | 0.394 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -46.4 | -177.5 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | C40 F57 H61 | C40-V42 PolarHBondContact O-N 2.77Å; V42-F57 HydrophobicContact CG2-CE2 3.89Å; V42-F57 HydrophobicContact CG2-CZ 4.41Å; V42-H61 WeakPolarHBondContact CG1-CE1 3.38Å; V42-H61 WeakPolarHBondContact CG1-ND1 3.45Å |
| 43 | C | 89.1 | Confident | 79.9 | Confident | 54 Ų | 54 | 69.6 Ų | 69.6 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 0.7 | -175.2 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | C40 T45 H56 H61 | C40-C43 PolarHBondContact SG-SG 3.24Å; C43-T45 PolarHBondContact O-N 2.94Å; C43-T45 VanDerWaalsContact O-N 3.09Å; C43-T45 PolarHBondContact SG-OG1 2.94Å; C43-H56 PolarHBondContact SG-CE1 3.32Å; C43-H56 PolarHBondContact SG-NE2 2.72Å; C43-H61 PolarHBondContact SG-NE2 3.11Å |
| 44 | K | 83.3 | Confident | 80.6 | Confident | 169 Ų | 169 | 71.8 Ų | 71.8 | 74% | 0.735 | 37% | 0.374 | S | S | * | . | trans | 58.8 | 16.5 | -178.7 | -55.9 | -178.8 | -179.8 | -179.9 | 0 | 114.9 | C40 Q46 | C40-K44 WeakPolarHBondContact O-CA 3.21Å; C40-K44 PolarHBondContact O-N 3.47Å; K44-Q46 PolarHBondContact O-N 3.42Å | ||
| 45 | T | 83.6 | Confident | 81.4 | Confident | 65 Ų | 65 | 71 Ų | 71 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | trans | -69.1 | 130.7 | 173.1 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | C40 C43 V47 | C40-T45 PolarHBondContact N-O 3.3Å; C43-T45 PolarHBondContact O-N 2.94Å; C43-T45 VanDerWaalsContact O-N 3.09Å; C43-T45 PolarHBondContact SG-OG1 2.94Å; T45-V47 HydrophobicContact CG2-CG1 4.22Å | ||
| 46 | Q | 81.6 | Confident | 82.3 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131 | 173.6 | -58.3 | 177.7 | -2.9 | 0 | 0 | 109.4 | L36 H38 K44 | L36-Q46 HydrophobicContact CB-CB 3.99Å; L36-Q46 HydrophobicContact CD1-CB 4.14Å; L36-Q46 HydrophobicContact CG-CB 4.43Å; H38-Q46 CarbonylContact O-C 3.51Å; H38-Q46 VanDerWaalsContact O-CA 3.27Å; H38-Q46 WeakPolarHBondContact O-CA 3.23Å; K44-Q46 PolarHBondContact O-N 3.42Å |
| 47 | V | 82.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.4 | -179.9 | -65.1 | 0 | 0 | 0 | 0 | 110.3 | H38 T45 T52 Y53 | H38-V47 HydrophobicContact CB-CG2 3.75Å; H38-V47 PolarHBondContact N-O 2.96Å; H38-V47 PolarHBondContact O-N 3.09Å; T45-V47 HydrophobicContact CG2-CG1 4.22Å; V47-T52 HydrophobicContact CB-CG2 4.48Å; V47-T52 HydrophobicContact CG1-CG2 4.43Å; V47-Y53 HydrophobicContact CG2-CD1 4.46Å; V47-Y53 HydrophobicContact CG2-CD2 3.56Å; V47-Y53 HydrophobicContact CG2-CG 3.55Å |
| 48 | P | 81.3 | Confident | 83.2 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 37% | 0.37 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -76.3 | -28.7 | -171.2 | 21.5 | -24.2 | 0 | 0 | 0 | 114.5 | A35 L36 | A35-P48 CarbonylContact O-C 3.48Å; A35-P48 WeakPolarHBondContact O-CA 3.3Å; L36-P48 HydrophobicContact CD2-CB 3.99Å; L36-P48 HydrophobicContact CD2-CG 4.14Å |
| 49 | D | 79.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -140.3 | 149 | -171.2 | 54.4 | -88.4 | 0 | 0 | 0 | 112.1 | K51 T52 Y53 | D49-K51 PolarHBondContact O-N 3.43Å; D49-T52 VanDerWaalsContact CG-OG1 3.23Å; D49-T52 PolarHBondContact O-N 2.84Å; D49-T52 PolarHBondContact OD1-OG1 2.88Å; D49-T52 VanDerWaalsContact OD1-OG1 3.12Å; D49-T52 WeakPolarHBondContact OD2-CA 3.37Å; D49-T52 WeakPolarHBondContact OD2-CB 3.45Å; D49-T52 PolarHBondContact OD2-N 3.43Å; D49-T52 PolarHBondContact OD2-OG1 3.34Å; D49-Y53 WeakPolarHBondContact O-CB 3.01Å; D49-Y53 PolarHBondContact O-N 2.91Å |
| 50 | V | 80.1 | Confident | 83.8 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.2 | -34.2 | -179.5 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | H38 Y53 K54 L70 V73 | H38-V50 WeakPolarHBondContact NE2-CG2 3.35Å; V50-Y53 WeakPolarHBondContact O-CB 2.87Å; V50-Y53 PolarHBondContact O-N 2.88Å; V50-K54 PolarHBondContact O-N 3.49Å; V50-L70 HydrophobicContact CG1-CD2 3.79Å; V50-V73 HydrophobicContact CG2-CB 4.36Å; V50-V73 HydrophobicContact CG2-CG1 3.82Å |
| 51 | K | 82.8 | Confident | 83.9 | Confident | 169 Ų | 169 | 75 Ų | 75 | 74% | 0.735 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.3 | -50.7 | 178.8 | -175.5 | -178.7 | 178.5 | -178.2 | 0 | 111.7 | D49 Y53 K54 Q55 | D49-K51 PolarHBondContact O-N 3.43Å; K51-Y53 PolarHBondContact O-N 2.97Å; K51-K54 PolarHBondContact O-N 3.38Å; K51-Q55 PolarHBondContact O-N 3.46Å; K51-Q55 VanDerWaalsContact O-N 3.08Å |
| 52 | T | 83.5 | Confident | 83.7 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.3 | -34.6 | 174.2 | -61 | 0 | 0 | 0 | 0 | 110.3 | V47 D49 Q55 H56 | V47-T52 HydrophobicContact CB-CG2 4.48Å; V47-T52 HydrophobicContact CG1-CG2 4.43Å; D49-T52 VanDerWaalsContact CG-OG1 3.23Å; D49-T52 PolarHBondContact O-N 2.84Å; D49-T52 PolarHBondContact OD1-OG1 2.88Å; D49-T52 VanDerWaalsContact OD1-OG1 3.12Å; D49-T52 WeakPolarHBondContact OD2-CA 3.37Å; D49-T52 WeakPolarHBondContact OD2-CB 3.45Å; D49-T52 PolarHBondContact OD2-N 3.43Å; D49-T52 PolarHBondContact OD2-OG1 3.34Å; T52-Q55 PolarHBondContact O-N 3.27Å; T52-H56 WeakPolarHBondContact O-CB 3.32Å; T52-H56 PolarHBondContact O-N 3.41Å |
| 53 | Y | 82.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 176.6 | -167.6 | -152.9 | 0 | 0 | 0 | 113.1 | H38 C40 P41 V47 D49 V50 K51 H56 F57 P67 E69 L70 | H38-Y53 HydrophobicContact CB-CD1 3.87Å; H38-Y53 HydrophobicContact CB-CE1 4.29Å; H38-Y53 HydrophobicContact CB-CG 4.22Å; C40-Y53 HydrophobicContact CB-CE2 3.87Å; P41-Y53 WeakPolarHBondContact CD-OH 3.29Å; V47-Y53 HydrophobicContact CG2-CD1 4.46Å; V47-Y53 HydrophobicContact CG2-CD2 3.56Å; V47-Y53 HydrophobicContact CG2-CG 3.55Å; D49-Y53 WeakPolarHBondContact O-CB 3.01Å; D49-Y53 PolarHBondContact O-N 2.91Å; V50-Y53 WeakPolarHBondContact O-CB 2.87Å; V50-Y53 PolarHBondContact O-N 2.88Å; K51-Y53 PolarHBondContact O-N 2.97Å; Y53-H56 WeakPolarHBondContact O-CB 3.48Å; Y53-H56 PolarHBondContact O-N 2.93Å; Y53-F57 WeakPolarHBondContact O-CB 3.5Å; Y53-F57 PolarHBondContact O-N 3.47Å; Y53-P67 HydrophobicContact CE1-CG 4.39Å; Y53-P67 WeakPolarHBondContact OH-CG 3.27Å; Y53-E69 HydrophobicContact CE1-CG 4.26Å; Y53-L70 HydrophobicContact CD1-CD1 3.29Å; Y53-L70 HydrophobicContact CD1-CD2 3.55Å; Y53-L70 HydrophobicContact CD1-CG 3.24Å; Y53-L70 HydrophobicContact CD2-CD1 4.23Å; Y53-L70 HydrophobicContact CE1-CD1 3.13Å; Y53-L70 HydrophobicContact CE1-CD2 4.16Å; Y53-L70 HydrophobicContact CE1-CG 3.32Å; Y53-L70 HydrophobicContact CE2-CD1 4.11Å; Y53-L70 HydrophobicContact CG-CD1 3.83Å; Y53-L70 HydrophobicContact CG-CD2 4.09Å; Y53-L70 HydrophobicContact CG-CG 4.11Å |
| 54 | K | 82.6 | Confident | 82.6 | Confident | 104 Ų | 104 | 84 Ų | 84 | 45% | 0.452 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 174.3 | -176.5 | 177.4 | 176.8 | 177.7 | 0 | 111.3 | V50 K51 H56 F57 E58 L70 | V50-K54 PolarHBondContact O-N 3.49Å; K51-K54 PolarHBondContact O-N 3.38Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.43Å; K54-F57 PolarHBondContact O-N 2.9Å; K54-F57 VanDerWaalsContact O-N 3.15Å; K54-E58 WeakPolarHBondContact CE-OE1 3.34Å; K54-E58 HydrophobicContact CG-CG 4.43Å; K54-E58 WeakPolarHBondContact O-CG 3.44Å; K54-E58 PolarHBondContact O-N 2.94Å; K54-L70 HydrophobicContact CB-CD2 4.14Å |
| 55 | Q | 84.3 | Confident | 82 | Confident | 122 Ų | 122 | 81.2 Ų | 81.2 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 177 | -175 | -176.4 | -6.6 | 0 | 0 | 112.1 | K51 T52 F57 N59 | K51-Q55 PolarHBondContact O-N 3.46Å; K51-Q55 VanDerWaalsContact O-N 3.08Å; T52-Q55 PolarHBondContact O-N 3.27Å; Q55-F57 VanDerWaalsContact C-N 3.31Å; Q55-F57 PolarHBondContact O-N 2.79Å; Q55-N59 VanDerWaalsContact O-CB 3.23Å; Q55-N59 WeakPolarHBondContact O-CB 3.35Å; Q55-N59 PolarHBondContact O-N 3.48Å; Q55-N59 VanDerWaalsContact O-N 3.08Å |
| 56 | H | 87.3 | Confident | 81.3 | Confident | 31 Ų | 31 | 81.1 Ų | 81.1 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 174.5 | 166.6 | 87.8 | 0 | 0 | 0 | 110.7 | C40 C43 T52 Y53 K54 K60 H61 | C40-H56 PolarHBondContact SG-NE2 3.28Å; C40-H56 VanDerWaalsContact SG-NE2 3.39Å; C43-H56 PolarHBondContact SG-CE1 3.32Å; C43-H56 PolarHBondContact SG-NE2 2.72Å; T52-H56 WeakPolarHBondContact O-CB 3.32Å; T52-H56 PolarHBondContact O-N 3.41Å; Y53-H56 WeakPolarHBondContact O-CB 3.48Å; Y53-H56 PolarHBondContact O-N 2.93Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.43Å; H56-K60 VanDerWaalsContact O-CB 3.22Å; H56-K60 WeakPolarHBondContact O-CB 3.15Å; H56-K60 WeakPolarHBondContact O-CG 3.29Å; H56-K60 PolarHBondContact O-N 3.35Å; H56-H61 AromaticContact NE2-CD2 3.74Å; H56-H61 AromaticContact NE2-NE2 3.58Å |
| 57 | F | 84.9 | Confident | 80.7 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 2% | 0.022 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.1 | -45.6 | -177.5 | -155 | -93.4 | 0 | 0 | 0 | 112.5 | V42 Y53 K54 Q55 N59 H61 N64 P65 L66 P67 | V42-F57 HydrophobicContact CG2-CE2 3.89Å; V42-F57 HydrophobicContact CG2-CZ 4.41Å; Y53-F57 WeakPolarHBondContact O-CB 3.5Å; Y53-F57 PolarHBondContact O-N 3.47Å; K54-F57 PolarHBondContact O-N 2.9Å; K54-F57 VanDerWaalsContact O-N 3.15Å; Q55-F57 VanDerWaalsContact C-N 3.31Å; Q55-F57 PolarHBondContact O-N 2.79Å; F57-N59 VanDerWaalsContact C-N 3.29Å; F57-N59 PolarHBondContact O-N 3.22Å; F57-H61 HydrophobicContact CD1-CB 4.38Å; F57-H61 HydrophobicContact CD2-CB 4.08Å; F57-H61 HydrophobicContact CE1-CB 4.31Å; F57-H61 HydrophobicContact CE2-CB 3.99Å; F57-H61 HydrophobicContact CG-CB 4.28Å; F57-H61 HydrophobicContact CZ-CB 4.12Å; F57-H61 CarbonylContact O-C 3.07Å; F57-H61 VanDerWaalsContact O-CA 3.23Å; F57-H61 WeakPolarHBondContact O-CA 3.46Å; F57-H61 PolarHBondContact O-N 2.99Å; F57-N64 HydrophobicContact CE1-CB 3.98Å; F57-N64 VanDerWaalsContact CE1-O 3.22Å; F57-N64 WeakPolarHBondContact CE1-O 3.35Å; F57-N64 HydrophobicContact CE2-CB 4.46Å; F57-N64 HydrophobicContact CZ-CB 3.52Å; F57-P65 VanDerWaalsContact CE1-C 3.47Å; F57-P65 VanDerWaalsContact CE1-O 3.28Å; F57-P65 WeakPolarHBondContact CE1-O 3.33Å; F57-P65 WeakPolarHBondContact CZ-O 3.36Å; F57-L66 HydrophobicContact CB-CD2 4.1Å; F57-L66 HydrophobicContact CD1-CD2 3.57Å; F57-L66 HydrophobicContact CD1-CG 4.11Å; F57-L66 HydrophobicContact CE1-CD2 4.29Å; F57-L66 HydrophobicContact CE1-CG 4.42Å; F57-L66 HydrophobicContact CG-CD2 4.06Å; F57-P67 HydrophobicContact CD2-CG 4.48Å; F57-P67 HydrophobicContact CE2-CG 4.17Å |
| 58 | E | 84.9 | Confident | 80 | Confident | 110 Ų | 110 | 82.9 Ų | 82.9 | 51% | 0.514 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 176.6 | -70.8 | 174.2 | 153.5 | 0 | 0 | 112.3 | K54 | K54-E58 WeakPolarHBondContact CE-OE1 3.34Å; K54-E58 HydrophobicContact CG-CG 4.43Å; K54-E58 WeakPolarHBondContact O-CG 3.44Å; K54-E58 PolarHBondContact O-N 2.94Å |
| 59 | N | 87.3 | Confident | 79.2 | Confident | 115 Ų | 115 | 84 Ų | 84 | 62% | 0.615 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -87.6 | -39.9 | -177.8 | -168.3 | 11.9 | 0 | 0 | 0 | 113.6 | Q55 F57 | Q55-N59 VanDerWaalsContact O-CB 3.23Å; Q55-N59 WeakPolarHBondContact O-CB 3.35Å; Q55-N59 PolarHBondContact O-N 3.48Å; Q55-N59 VanDerWaalsContact O-N 3.08Å; F57-N59 VanDerWaalsContact C-N 3.29Å; F57-N59 PolarHBondContact O-N 3.22Å |
| 60 | K | 86.9 | Confident | 78.5 | Confident | 137 Ų | 137 | 82 Ų | 82 | 60% | 0.596 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -95.9 | -26.9 | -175.1 | -60.2 | -58.6 | -174.7 | -175.8 | 0 | 113.5 | H56 | H56-K60 VanDerWaalsContact O-CB 3.22Å; H56-K60 WeakPolarHBondContact O-CB 3.15Å; H56-K60 WeakPolarHBondContact O-CG 3.29Å; H56-K60 PolarHBondContact O-N 3.35Å |
| 61 | H | 85.8 | Confident | 77.5 | Confident | 26 Ų | 26 | 85.3 Ų | 85.3 | 12% | 0.12 | 42% | 0.424 | C | S | . | . | trans | -131.3 | 50.5 | -175.3 | -54 | -54.9 | 0 | 0 | 0 | 112.2 | V42 C43 H56 F57 K63 N64 | V42-H61 WeakPolarHBondContact CG1-CE1 3.38Å; V42-H61 WeakPolarHBondContact CG1-ND1 3.45Å; C43-H61 PolarHBondContact SG-NE2 3.11Å; H56-H61 AromaticContact NE2-CD2 3.74Å; H56-H61 AromaticContact NE2-NE2 3.58Å; F57-H61 HydrophobicContact CD1-CB 4.38Å; F57-H61 HydrophobicContact CD2-CB 4.08Å; F57-H61 HydrophobicContact CE1-CB 4.31Å; F57-H61 HydrophobicContact CE2-CB 3.99Å; F57-H61 HydrophobicContact CG-CB 4.28Å; F57-H61 HydrophobicContact CZ-CB 4.12Å; F57-H61 CarbonylContact O-C 3.07Å; F57-H61 VanDerWaalsContact O-CA 3.23Å; F57-H61 WeakPolarHBondContact O-CA 3.46Å; F57-H61 PolarHBondContact O-N 2.99Å; H61-K63 PolarHBondContact O-N 2.97Å; H61-N64 HydrophobicContact CB-CB 4.24Å; H61-N64 PolarHBondContact O-N 3.33Å; H61-N64 VanDerWaalsContact O-N 3.1Å | ||
| 62 | P | 79.1 | Confident | 76.3 | Confident | 97 Ų | 97 | 84.7 Ų | 84.7 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.6 | -174.9 | 26.5 | -36.1 | 0 | 0 | 0 | 114.1 | ||
| 63 | K | 76.9 | Confident | 75 | Confident | 204 Ų | 204 | 85.8 Ų | 85.8 | 89% | 0.887 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -15.7 | -179.1 | -61.3 | -173.3 | -179.1 | -174.5 | 0 | 113.5 | H61 | H61-K63 PolarHBondContact O-N 2.97Š|
| 64 | N | 73.6 | Confident | 73.2 | Confident | 78 Ų | 78 | 95.2 Ų | 95.2 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -87.3 | 146 | 179.1 | -72.2 | 68.1 | 0 | 0 | 0 | 108.8 | F57 H61 | F57-N64 HydrophobicContact CE1-CB 3.98Å; F57-N64 VanDerWaalsContact CE1-O 3.22Å; F57-N64 WeakPolarHBondContact CE1-O 3.35Å; F57-N64 HydrophobicContact CE2-CB 4.46Å; F57-N64 HydrophobicContact CZ-CB 3.52Å; H61-N64 HydrophobicContact CB-CB 4.24Å; H61-N64 PolarHBondContact O-N 3.33Å; H61-N64 VanDerWaalsContact O-N 3.1Å |
| 65 | P | 71.4 | Confident | 72.7 | Confident | 111 Ų | 111 | 94.8 Ų | 94.8 | 72% | 0.721 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 138.9 | 169.8 | 27.8 | -32.6 | 0 | 0 | 0 | 109.6 | F57 | F57-P65 VanDerWaalsContact CE1-C 3.47Å; F57-P65 VanDerWaalsContact CE1-O 3.28Å; F57-P65 WeakPolarHBondContact CE1-O 3.33Å; F57-P65 WeakPolarHBondContact CZ-O 3.36Å |
| 66 | L | 68.5 | Low | 72.1 | Confident | 64 Ų | 64 | 93.3 Ų | 93.3 | 34% | 0.335 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 126.5 | 173.3 | -76.4 | 161.1 | 0 | 0 | 0 | 108.5 | F57 L70 | F57-L66 HydrophobicContact CB-CD2 4.1Å; F57-L66 HydrophobicContact CD1-CD2 3.57Å; F57-L66 HydrophobicContact CD1-CG 4.11Å; F57-L66 HydrophobicContact CE1-CD2 4.29Å; F57-L66 HydrophobicContact CE1-CG 4.42Å; F57-L66 HydrophobicContact CG-CD2 4.06Å; L66-L70 HydrophobicContact CD2-CD1 4.09Å |
| 67 | P | 69.6 | Low | 71.2 | Confident | 13 Ų | 13 | 96.8 Ų | 96.8 | 8% | 0.084 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 144.7 | -176.7 | 27.4 | -31.9 | 0 | 0 | 0 | 109.5 | P41 Y53 F57 E69 L70 | P41-P67 HydrophobicContact CG-CB 3.93Å; P41-P67 HydrophobicContact CG-CG 4.08Å; Y53-P67 HydrophobicContact CE1-CG 4.39Å; Y53-P67 WeakPolarHBondContact OH-CG 3.27Å; F57-P67 HydrophobicContact CD2-CG 4.48Å; F57-P67 HydrophobicContact CE2-CG 4.17Å; P67-E69 HydrophobicContact CB-CG 3.93Å; P67-E69 HydrophobicContact CG-CG 4.03Å; P67-E69 PolarHBondContact O-N 3.44Å; P67-L70 HydrophobicContact CG-CD1 3.84Å; P67-L70 WeakPolarHBondContact O-CB 3.36Å; P67-L70 PolarHBondContact O-N 3.47Å |
| 68 | Q | 66.6 | Low | 70.4 | Confident | 136 Ų | 136 | 102.2 Ų | 102.2 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -53.8 | -31 | -175 | -81.8 | 85.4 | -8.8 | 0 | 0 | 113.2 | L70 L71 E72 | Q68-L70 PolarHBondContact O-N 3.47Å; Q68-L70 VanDerWaalsContact O-N 3.14Å; Q68-L71 WeakPolarHBondContact O-CA 3.49Å; Q68-L71 WeakPolarHBondContact O-CB 3.31Å; Q68-L71 PolarHBondContact O-N 3.29Å; Q68-E72 WeakPolarHBondContact O-CG 3.44Å; Q68-E72 PolarHBondContact O-N 3.22Å |
| 69 | E | 65.6 | Low | 69.5 | Low | 82 Ų | 82 | 101.7 Ų | 101.7 | 38% | 0.383 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.4 | -21.7 | 174.5 | 63.1 | -158.8 | 97 | 0 | 0 | 114.6 | Y53 P67 V73 | Y53-E69 HydrophobicContact CE1-CG 4.26Å; P67-E69 HydrophobicContact CB-CG 3.93Å; P67-E69 HydrophobicContact CG-CG 4.03Å; P67-E69 PolarHBondContact O-N 3.44Å; E69-V73 WeakPolarHBondContact O-CG2 3.37Å |
| 70 | L | 64.1 | Low | 68.4 | Low | 20 Ų | 20 | 100.8 Ų | 100.8 | 11% | 0.105 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -85.4 | -26.1 | 169.9 | -95.1 | 151.3 | 0 | 0 | 0 | 113.1 | V50 Y53 K54 L66 P67 Q68 | V50-L70 HydrophobicContact CG1-CD2 3.79Å; Y53-L70 HydrophobicContact CD1-CD1 3.29Å; Y53-L70 HydrophobicContact CD1-CD2 3.55Å; Y53-L70 HydrophobicContact CD1-CG 3.24Å; Y53-L70 HydrophobicContact CD2-CD1 4.23Å; Y53-L70 HydrophobicContact CE1-CD1 3.13Å; Y53-L70 HydrophobicContact CE1-CD2 4.16Å; Y53-L70 HydrophobicContact CE1-CG 3.32Å; Y53-L70 HydrophobicContact CE2-CD1 4.11Å; Y53-L70 HydrophobicContact CG-CD1 3.83Å; Y53-L70 HydrophobicContact CG-CD2 4.09Å; Y53-L70 HydrophobicContact CG-CG 4.11Å; K54-L70 HydrophobicContact CB-CD2 4.14Å; L66-L70 HydrophobicContact CD2-CD1 4.09Å; P67-L70 HydrophobicContact CG-CD1 3.84Å; P67-L70 WeakPolarHBondContact O-CB 3.36Å; P67-L70 PolarHBondContact O-N 3.47Å; Q68-L70 PolarHBondContact O-N 3.47Å; Q68-L70 VanDerWaalsContact O-N 3.14Å |
| 71 | L | 59.3 | Low | 67 | Low | 113 Ų | 113 | 98.2 Ų | 98.2 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -82 | -32.2 | 179.7 | -76.4 | 164.3 | 0 | 0 | 0 | 112 | Q68 | Q68-L71 WeakPolarHBondContact O-CA 3.49Å; Q68-L71 WeakPolarHBondContact O-CB 3.31Å; Q68-L71 PolarHBondContact O-N 3.29Å |
| 72 | E | 57.4 | Low | 65.6 | Low | 156 Ų | 156 | 103.8 Ų | 103.8 | 73% | 0.729 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -82.4 | -12.8 | -177.7 | -67.8 | -178 | 110 | 0 | 0 | 114 | Q68 V74 | Q68-E72 WeakPolarHBondContact O-CG 3.44Å; Q68-E72 PolarHBondContact O-N 3.22Å; E72-V74 VanDerWaalsContact C-N 3.32Å; E72-V74 PolarHBondContact O-N 3.34Å |
| 73 | V | 55.3 | Low | 64.5 | Low | 78 Ų | 78 | 104.3 Ų | 104.3 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | trans | -96.4 | 56.2 | 179.4 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | V50 E69 | V50-V73 HydrophobicContact CG2-CB 4.36Å; V50-V73 HydrophobicContact CG2-CG1 3.82Å; E69-V73 WeakPolarHBondContact O-CG2 3.37Å | ||
| 74 | V | 45.3 | Very low | 63.3 | Low | 197 Ų | 197 | 95.3 Ų | 95.3 | 100% | 1.194 | 52% | 0.515 | S | S | * | . | trans | -99.3 | 0 | 161 | 177 | 0 | 0 | 0 | 0 | 108.7 | E72 | E72-V74 VanDerWaalsContact C-N 3.32Å; E72-V74 PolarHBondContact O-N 3.34Å |
Retrieved 74 of 74 residues in 14.4 ms
(Link to these results)