| 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 | 63.1 | Low | 79.7 | Confident | 197 Ų | 197 | 131.5 Ų | 131.5 | 97% | 0.97 | 65% | 0.647 | S | S | * | * | 0 | -35.4 | 0 | -65.1 | -69.5 | -109.4 | 0 | 0 | 114.8 | |||||
| 2 | A | 70.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 132.5 Ų | 132.5 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.8 | -35.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R5 K6 | A2-R5 PolarHBondContact O-N 3.19Å; A2-K6 PolarHBondContact O-N 2.84Å |
| 3 | K | 74.3 | Confident | 81.4 | Confident | 172 Ų | 172 | 131.5 Ų | 131.5 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.9 | -42.9 | -179.7 | -169.8 | 175.6 | 179.6 | 179.2 | 0 | 112.8 | K6 L7 | K3-K6 PolarHBondContact O-N 2.9Å; K3-L7 HydrophobicContact CG-CD1 4.41Å; K3-L7 PolarHBondContact O-N 3.42Å; K3-L7 VanDerWaalsContact O-N 3.08Å |
| 4 | Q | 76.6 | Confident | 82.2 | Confident | 146 Ų | 146 | 128.6 Ų | 128.6 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.7 | -42.4 | 177.3 | -75.1 | -85.3 | -26.4 | 0 | 0 | 112.3 | K6 L7 L8 | Q4-K6 PolarHBondContact O-N 3.37Å; Q4-L7 PolarHBondContact O-N 3.41Å; Q4-L8 PolarHBondContact O-N 3.47Å |
| 5 | R | 77.4 | Confident | 82.9 | Confident | 185 Ų | 185 | 127.8 Ų | 127.8 | 70% | 0.698 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -36 | 176.3 | -68.3 | -177.3 | 178.8 | -177.8 | -0.9 | 112.9 | A2 K9 | A2-R5 PolarHBondContact O-N 3.19Å; R5-K9 WeakPolarHBondContact O-CG 3.43Å; R5-K9 PolarHBondContact O-N 3.12Å; R5-K9 VanDerWaalsContact O-N 3.16Å |
| 6 | K | 80 | Confident | 83.5 | Confident | 153 Ų | 153 | 126.6 Ų | 126.6 | 67% | 0.665 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.8 | -44.5 | 174.7 | -74.8 | -173.5 | 178.9 | -175 | 0 | 111.5 | A2 K3 Q4 L8 K9 I10 | A2-K6 PolarHBondContact O-N 2.84Å; K3-K6 PolarHBondContact O-N 2.9Å; Q4-K6 PolarHBondContact O-N 3.37Å; K6-L8 PolarHBondContact O-N 3.35Å; K6-K9 PolarHBondContact O-N 3.43Å; K6-I10 WeakPolarHBondContact O-CG1 3.43Å; K6-I10 PolarHBondContact O-N 3.46Å; K6-I10 VanDerWaalsContact O-N 3.07Å |
| 7 | L | 82 | Confident | 84.2 | Confident | 101 Ų | 101 | 129.8 Ų | 129.8 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -58.7 | -45.7 | 175.5 | -88.1 | 155.1 | 0 | 0 | 0 | 112.2 | K3 Q4 K9 I10 A11 | K3-L7 HydrophobicContact CG-CD1 4.41Å; K3-L7 PolarHBondContact O-N 3.42Å; K3-L7 VanDerWaalsContact O-N 3.08Å; Q4-L7 PolarHBondContact O-N 3.41Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 3.47Å; L7-I10 PolarHBondContact O-N 3.19Å; L7-A11 WeakPolarHBondContact O-CB 3.15Å; L7-A11 PolarHBondContact O-N 2.73Å |
| 8 | L | 86.1 | Confident | 84.7 | Confident | 103 Ų | 103 | 125.9 Ų | 125.9 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.4 | -37.8 | 177.7 | -173.9 | 66.2 | 0 | 0 | 0 | 112.7 | Q4 K6 K12 | Q4-L8 PolarHBondContact O-N 3.47Å; K6-L8 PolarHBondContact O-N 3.35Å; L8-K12 WeakPolarHBondContact O-CB 3.41Å; L8-K12 WeakPolarHBondContact O-CG 3.33Å; L8-K12 PolarHBondContact O-N 3.23Å |
| 9 | K | 87.6 | Confident | 85.3 | Confident | 158 Ų | 158 | 122.7 Ų | 122.7 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64 | -44.5 | 175.7 | -75.6 | -176.8 | 179.4 | -170.9 | 0 | 111.7 | R5 K6 L7 K12 Q13 | R5-K9 WeakPolarHBondContact O-CG 3.43Å; R5-K9 PolarHBondContact O-N 3.12Å; R5-K9 VanDerWaalsContact O-N 3.16Å; K6-K9 PolarHBondContact O-N 3.43Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 3.47Å; K9-K12 PolarHBondContact O-N 3.02Å; K9-Q13 WeakPolarHBondContact O-CB 3.42Å; K9-Q13 PolarHBondContact O-N 3.34Å |
| 10 | I | 88.6 | Confident | 85.8 | Confident | 98 Ų | 98 | 121 Ų | 121 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.7 | -46.9 | 177.2 | -65.4 | 165.8 | 0 | 0 | 0 | 110.2 | K6 L7 K12 Q13 V14 | K6-I10 WeakPolarHBondContact O-CG1 3.43Å; K6-I10 PolarHBondContact O-N 3.46Å; K6-I10 VanDerWaalsContact O-N 3.07Å; L7-I10 PolarHBondContact O-N 3.19Å; I10-K12 PolarHBondContact O-N 2.96Å; I10-Q13 PolarHBondContact O-N 3.4Å; I10-Q13 VanDerWaalsContact O-N 3.08Å; I10-V14 HydrophobicContact CG2-CG2 4.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.26Å; I10-V14 PolarHBondContact O-N 3.11Å |
| 11 | A | 90.4 | Very high | 86.2 | Confident | 59 Ų | 59 | 122.7 Ų | 122.7 | 49% | 0.488 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.5 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L7 Q13 V14 L15 | L7-A11 WeakPolarHBondContact O-CB 3.15Å; L7-A11 PolarHBondContact O-N 2.73Å; A11-Q13 VanDerWaalsContact C-N 3.33Å; A11-Q13 PolarHBondContact O-N 3.07Å; A11-V14 PolarHBondContact O-N 3.17Å; A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 PolarHBondContact O-N 3.12Å |
| 12 | K | 91 | Very high | 87.7 | Confident | 144 Ų | 144 | 118.6 Ų | 118.6 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.4 | -40 | 173.9 | -75.6 | -172.6 | 177.3 | -167.3 | 0 | 112.3 | L8 K9 I10 L15 L16 | L8-K12 WeakPolarHBondContact O-CB 3.41Å; L8-K12 WeakPolarHBondContact O-CG 3.33Å; L8-K12 PolarHBondContact O-N 3.23Å; K9-K12 PolarHBondContact O-N 3.02Å; I10-K12 PolarHBondContact O-N 2.96Å; K12-L15 PolarHBondContact O-N 2.81Å; K12-L16 WeakPolarHBondContact O-CB 3.41Å; K12-L16 PolarHBondContact O-N 2.94Å |
| 13 | Q | 90 | Very high | 88.8 | Confident | 119 Ų | 119 | 120.1 Ų | 120.1 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.6 | -38 | 179.8 | -168 | 170.3 | 21 | 0 | 0 | 112.4 | K9 I10 A11 R17 | K9-Q13 WeakPolarHBondContact O-CB 3.42Å; K9-Q13 PolarHBondContact O-N 3.34Å; I10-Q13 PolarHBondContact O-N 3.4Å; I10-Q13 VanDerWaalsContact O-N 3.08Å; A11-Q13 VanDerWaalsContact C-N 3.33Å; A11-Q13 PolarHBondContact O-N 3.07Å; Q13-R17 WeakPolarHBondContact O-CG 3.41Å; Q13-R17 PolarHBondContact O-N 3.38Å |
| 14 | V | 93.3 | Very high | 89.8 | Confident | 91 Ų | 91 | 116.3 Ų | 116.3 | 55% | 0.552 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.9 | -44.6 | 174 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | I10 A11 L16 R17 S18 | I10-V14 HydrophobicContact CG2-CG2 4.3Å; I10-V14 WeakPolarHBondContact O-CG2 3.26Å; I10-V14 PolarHBondContact O-N 3.11Å; A11-V14 PolarHBondContact O-N 3.17Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.23Å; V14-R17 PolarHBondContact O-N 3.16Å; V14-S18 PolarHBondContact O-N 3Å |
| 15 | L | 92.7 | Very high | 90.6 | Very high | 117 Ų | 117 | 112.6 Ų | 112.6 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.6 | -40.4 | 177.4 | -163.9 | 117.6 | 0 | 0 | 0 | 111.8 | A11 K12 S18 V19 | A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 PolarHBondContact O-N 3.12Å; K12-L15 PolarHBondContact O-N 2.81Å; L15-S18 PolarHBondContact O-N 3.22Å; L15-S18 PolarHBondContact O-OG 3.18Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.35Å; L15-V19 PolarHBondContact O-N 3.41Å; L15-V19 VanDerWaalsContact O-N 3.07Å |
| 16 | L | 92.7 | Very high | 91.4 | Very high | 108 Ų | 108 | 107 Ų | 107 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 175.4 | -176.3 | 62.8 | 0 | 0 | 0 | 111.5 | K12 V14 V19 I20 | K12-L16 WeakPolarHBondContact O-CB 3.41Å; K12-L16 PolarHBondContact O-N 2.94Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.23Å; L16-V19 PolarHBondContact O-N 3.01Å; L16-I20 HydrophobicContact CD1-CD1 4.31Å; L16-I20 HydrophobicContact CG-CD1 4.02Å; L16-I20 WeakPolarHBondContact O-CD1 3.31Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.37Å |
| 17 | R | 94.5 | Very high | 91.9 | Very high | 182 Ų | 182 | 103.7 Ų | 103.7 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 177.5 | -77.9 | -174.3 | 169.5 | -144.6 | -2 | 112.6 | Q13 V14 I20 F21 | Q13-R17 WeakPolarHBondContact O-CG 3.41Å; Q13-R17 PolarHBondContact O-N 3.38Å; V14-R17 PolarHBondContact O-N 3.16Å; R17-I20 PolarHBondContact O-N 3.07Å; R17-F21 PolarHBondContact O-N 3.39Å |
| 18 | S | 93 | Very high | 92.3 | Very high | 59 Ų | 59 | 104.1 Ų | 104.1 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.9 | 67.8 | 0 | 0 | 0 | 0 | 111.9 | V14 L15 F21 L22 | V14-S18 PolarHBondContact O-N 3Å; L15-S18 PolarHBondContact O-N 3.22Å; L15-S18 PolarHBondContact O-OG 3.18Å; S18-F21 PolarHBondContact O-N 2.95Å; S18-L22 WeakPolarHBondContact O-CG 3.49Å; S18-L22 PolarHBondContact O-N 3.46Å |
| 19 | V | 96.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 102.8 Ų | 102.8 | 40% | 0.4 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L15 L16 F21 L22 L23 | L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.35Å; L15-V19 PolarHBondContact O-N 3.41Å; L15-V19 VanDerWaalsContact O-N 3.07Å; L16-V19 PolarHBondContact O-N 3.01Å; V19-F21 VanDerWaalsContact C-N 3.35Å; V19-F21 PolarHBondContact O-N 3.32Å; V19-L22 PolarHBondContact O-N 2.88Å; V19-L23 HydrophobicContact CG1-CD1 4.12Å; V19-L23 WeakPolarHBondContact O-CG 3.5Å; V19-L23 PolarHBondContact O-N 3.06Å |
| 20 | I | 95.3 | Very high | 92 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 45% | 0.451 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 177.2 | -68.6 | 164.1 | 0 | 0 | 0 | 111 | L16 R17 L22 L23 V24 | L16-I20 HydrophobicContact CD1-CD1 4.31Å; L16-I20 HydrophobicContact CG-CD1 4.02Å; L16-I20 WeakPolarHBondContact O-CD1 3.31Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.37Å; R17-I20 PolarHBondContact O-N 3.07Å; I20-L22 PolarHBondContact O-N 3.5Å; I20-L23 PolarHBondContact O-N 3.32Å; I20-V24 HydrophobicContact CG2-CG2 4.38Å; I20-V24 WeakPolarHBondContact O-CG2 3.49Å; I20-V24 PolarHBondContact O-N 3.38Å |
| 21 | F | 94.8 | Very high | 91.9 | Very high | 156 Ų | 156 | 104.2 Ų | 104.2 | 68% | 0.684 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 179.1 | -169.7 | -96.3 | 0 | 0 | 0 | 112.2 | R17 S18 V19 V24 S25 | R17-F21 PolarHBondContact O-N 3.39Å; S18-F21 PolarHBondContact O-N 2.95Å; V19-F21 VanDerWaalsContact C-N 3.35Å; V19-F21 PolarHBondContact O-N 3.32Å; F21-V24 PolarHBondContact O-N 3.21Å; F21-S25 WeakPolarHBondContact O-CB 3.35Å; F21-S25 PolarHBondContact O-N 3.2Å |
| 22 | L | 94.5 | Very high | 91.3 | Very high | 112 Ų | 112 | 107 Ų | 107 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 174.2 | -75.1 | 170.4 | 0 | 0 | 0 | 111.7 | S18 V19 I20 V24 S25 V26 | S18-L22 WeakPolarHBondContact O-CG 3.49Å; S18-L22 PolarHBondContact O-N 3.46Å; V19-L22 PolarHBondContact O-N 2.88Å; I20-L22 PolarHBondContact O-N 3.5Å; L22-V24 PolarHBondContact O-N 3.39Å; L22-S25 PolarHBondContact O-N 2.92Å; L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 VanDerWaalsContact O-CG2 3.23Å; L22-V26 WeakPolarHBondContact O-CG2 3.44Å; L22-V26 PolarHBondContact O-N 3.25Å |
| 23 | L | 94 | Very high | 90.6 | Very high | 106 Ų | 106 | 106.5 Ų | 106.5 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 177.7 | -71.7 | 172.6 | 0 | 0 | 0 | 112.3 | V19 I20 V26 C27 | V19-L23 HydrophobicContact CG1-CD1 4.12Å; V19-L23 WeakPolarHBondContact O-CG 3.5Å; V19-L23 PolarHBondContact O-N 3.06Å; I20-L23 PolarHBondContact O-N 3.32Å; L23-V26 PolarHBondContact O-N 3.02Å; L23-C27 WeakPolarHBondContact O-CB 3.33Å; L23-C27 PolarHBondContact O-N 3.32Å; L23-C27 PolarHBondContact O-SG 2.98Å |
| 24 | V | 94.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 108.1 Ų | 108.1 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.3 | -44.1 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | I20 F21 L22 V26 C27 H28 | I20-V24 HydrophobicContact CG2-CG2 4.38Å; I20-V24 WeakPolarHBondContact O-CG2 3.49Å; I20-V24 PolarHBondContact O-N 3.38Å; F21-V24 PolarHBondContact O-N 3.21Å; L22-V24 PolarHBondContact O-N 3.39Å; V24-V26 VanDerWaalsContact C-N 3.35Å; V24-V26 PolarHBondContact O-N 2.83Å; V24-C27 PolarHBondContact O-N 2.9Å; V24-H28 WeakPolarHBondContact O-CB 3.29Å; V24-H28 PolarHBondContact O-N 3.22Å |
| 25 | S | 92.8 | Very high | 89 | Confident | 67 Ų | 67 | 109.2 Ų | 109.2 | 47% | 0.469 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | F21 L22 H28 C29 | F21-S25 WeakPolarHBondContact O-CB 3.35Å; F21-S25 PolarHBondContact O-N 3.2Å; L22-S25 PolarHBondContact O-N 2.92Å; S25-H28 PolarHBondContact O-N 3.38Å; S25-C29 PolarHBondContact O-N 2.78Å |
| 26 | V | 94.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 106.5 Ų | 106.5 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.9 | 169.1 | 0 | 0 | 0 | 0 | 111 | L22 L23 V24 H28 C29 Y30 | L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 VanDerWaalsContact O-CG2 3.23Å; L22-V26 WeakPolarHBondContact O-CG2 3.44Å; L22-V26 PolarHBondContact O-N 3.25Å; L23-V26 PolarHBondContact O-N 3.02Å; V24-V26 VanDerWaalsContact C-N 3.35Å; V24-V26 PolarHBondContact O-N 2.83Å; V26-H28 VanDerWaalsContact C-N 3.32Å; V26-H28 PolarHBondContact O-N 2.92Å; V26-C29 WeakPolarHBondContact O-CB 3.46Å; V26-C29 PolarHBondContact O-N 3.09Å; V26-Y30 HydrophobicContact CG1-CD2 3.66Å; V26-Y30 HydrophobicContact CG1-CE2 3.22Å; V26-Y30 WeakPolarHBondContact O-CD2 3.49Å; V26-Y30 PolarHBondContact O-N 3.17Å |
| 27 | C | 91 | Very high | 86.9 | Confident | 84 Ų | 84 | 107 Ų | 107 | 57% | 0.568 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | L23 V24 Y30 K31 | L23-C27 WeakPolarHBondContact O-CB 3.33Å; L23-C27 PolarHBondContact O-N 3.32Å; L23-C27 PolarHBondContact O-SG 2.98Å; V24-C27 PolarHBondContact O-N 2.9Å; C27-Y30 PolarHBondContact O-N 3.25Å; C27-K31 PolarHBondContact O-N 3.43Å |
| 28 | H | 90.2 | Very high | 85.7 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 176.8 | -163.1 | -82.2 | 0 | 0 | 0 | 111.5 | V24 S25 V26 Y30 K31 E32 | V24-H28 WeakPolarHBondContact O-CB 3.29Å; V24-H28 PolarHBondContact O-N 3.22Å; S25-H28 PolarHBondContact O-N 3.38Å; V26-H28 VanDerWaalsContact C-N 3.32Å; V26-H28 PolarHBondContact O-N 2.92Å; H28-Y30 PolarHBondContact O-N 3.01Å; H28-K31 PolarHBondContact O-N 3.12Å; H28-E32 IonicContact CE1-OE1 3.17Å; H28-E32 PolarHBondContact CE1-OE1 3.11Å; H28-E32 IonicContact ND1-OE1 3.46Å; H28-E32 PolarHBondContact ND1-OE1 3.45Å; H28-E32 PolarHBondContact O-N 2.68Å; H28-E32 VanDerWaalsContact O-N 3.12Å |
| 29 | C | 84.5 | Confident | 84.8 | Confident | 76 Ų | 76 | 101.8 Ų | 101.8 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | S25 V26 K31 E32 Q33 | S25-C29 PolarHBondContact O-N 2.78Å; V26-C29 WeakPolarHBondContact O-CB 3.46Å; V26-C29 PolarHBondContact O-N 3.09Å; C29-K31 VanDerWaalsContact C-N 3.33Å; C29-K31 PolarHBondContact O-N 3.19Å; C29-E32 PolarHBondContact O-N 3.17Å; C29-Q33 PolarHBondContact O-N 3.02Å |
| 30 | Y | 82.9 | Confident | 83.8 | Confident | 155 Ų | 155 | 101.8 Ų | 101.8 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -35.9 | 176.7 | -74.1 | -59.8 | 0 | 0 | 0 | 113 | V26 C27 H28 Q33 F34 | V26-Y30 HydrophobicContact CG1-CD2 3.66Å; V26-Y30 HydrophobicContact CG1-CE2 3.22Å; V26-Y30 WeakPolarHBondContact O-CD2 3.49Å; V26-Y30 PolarHBondContact O-N 3.17Å; C27-Y30 PolarHBondContact O-N 3.25Å; H28-Y30 PolarHBondContact O-N 3.01Å; Y30-Q33 PolarHBondContact O-N 3.48Å; Y30-F34 WeakPolarHBondContact O-CB 3.2Å; Y30-F34 PolarHBondContact O-N 3.28Å |
| 31 | K | 86.2 | Confident | 83 | Confident | 130 Ų | 130 | 100.6 Ų | 100.6 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -46.3 | 178 | -173.4 | 176.8 | 175 | 177.3 | 0 | 111.8 | C27 H28 C29 Q33 F34 E35 | C27-K31 PolarHBondContact O-N 3.43Å; H28-K31 PolarHBondContact O-N 3.12Å; C29-K31 VanDerWaalsContact C-N 3.33Å; C29-K31 PolarHBondContact O-N 3.19Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 2.95Å; K31-F34 PolarHBondContact O-N 2.97Å; K31-E35 WeakPolarHBondContact CE-OE1 3.46Å; K31-E35 IonicContact NZ-OE1 3.97Å; K31-E35 PolarHBondContact O-N 3.46Å |
| 32 | E | 79.2 | Confident | 82.2 | Confident | 119 Ų | 119 | 98.1 Ų | 98.1 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 177 | -73.1 | -175.5 | 176.9 | 0 | 0 | 111.8 | H28 C29 F34 E35 A36 | H28-E32 IonicContact CE1-OE1 3.17Å; H28-E32 PolarHBondContact CE1-OE1 3.11Å; H28-E32 IonicContact ND1-OE1 3.46Å; H28-E32 PolarHBondContact ND1-OE1 3.45Å; H28-E32 PolarHBondContact O-N 2.68Å; H28-E32 VanDerWaalsContact O-N 3.12Å; C29-E32 PolarHBondContact O-N 3.17Å; E32-F34 VanDerWaalsContact C-N 3.34Å; E32-F34 PolarHBondContact O-N 3.02Å; E32-E35 PolarHBondContact O-N 3Å; E32-A36 WeakPolarHBondContact O-CB 3.33Å; E32-A36 PolarHBondContact O-N 3.45Å |
| 33 | Q | 74.9 | Confident | 81.4 | Confident | 132 Ų | 132 | 94.8 Ų | 94.8 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -37.3 | 178.3 | -164.9 | 172.5 | 21.6 | 0 | 0 | 112.3 | C29 Y30 K31 F37 | C29-Q33 PolarHBondContact O-N 3.02Å; Y30-Q33 PolarHBondContact O-N 3.48Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 2.95Å; Q33-F37 WeakPolarHBondContact O-CB 3.33Å; Q33-F37 PolarHBondContact O-N 3.25Å |
| 34 | F | 75.4 | Confident | 80.7 | Confident | 154 Ų | 154 | 96.4 Ų | 96.4 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.3 | -41.4 | 177.9 | -172.4 | -99.1 | 0 | 0 | 0 | 112.5 | Y30 K31 E32 F37 G38 | Y30-F34 WeakPolarHBondContact O-CB 3.2Å; Y30-F34 PolarHBondContact O-N 3.28Å; K31-F34 PolarHBondContact O-N 2.97Å; E32-F34 VanDerWaalsContact C-N 3.34Å; E32-F34 PolarHBondContact O-N 3.02Å; F34-F37 PolarHBondContact O-N 3Å; F34-G38 PolarHBondContact O-N 3.43Å |
| 35 | E | 73.9 | Confident | 80.4 | Confident | 114 Ų | 114 | 95.9 Ų | 95.9 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.2 | -74.3 | -176.4 | -172.2 | 0 | 0 | 111.7 | K31 E32 G38 T39 | K31-E35 WeakPolarHBondContact CE-OE1 3.46Å; K31-E35 IonicContact NZ-OE1 3.97Å; K31-E35 PolarHBondContact O-N 3.46Å; E32-E35 PolarHBondContact O-N 3Å; E35-G38 PolarHBondContact O-N 3.45Å; E35-T39 WeakPolarHBondContact O-CG2 3.43Å; E35-T39 PolarHBondContact O-N 3.17Å; E35-T39 PolarHBondContact O-OG1 3.44Å; E35-T39 VanDerWaalsContact O-OG1 3.11Å |
| 36 | A | 69.4 | Low | 80.3 | Confident | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E32 T39 S40 | E32-A36 WeakPolarHBondContact O-CB 3.33Å; E32-A36 PolarHBondContact O-N 3.45Å; A36-T39 PolarHBondContact O-OG1 3.12Å; A36-S40 WeakPolarHBondContact O-CB 3.08Å; A36-S40 PolarHBondContact O-N 3.43Å; A36-S40 VanDerWaalsContact O-N 3.12Å |
| 37 | F | 72.3 | Confident | 80.2 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 176.7 | -175.3 | -99.7 | 0 | 0 | 0 | 112.2 | Q33 F34 T39 S40 E41 | Q33-F37 WeakPolarHBondContact O-CB 3.33Å; Q33-F37 PolarHBondContact O-N 3.25Å; F34-F37 PolarHBondContact O-N 3Å; F37-T39 PolarHBondContact O-N 3.06Å; F37-S40 WeakPolarHBondContact O-CB 3.39Å; F37-S40 PolarHBondContact O-N 3.19Å; F37-E41 HydrophobicContact CD1-CG 4.34Å; F37-E41 HydrophobicContact CE1-CG 3.78Å; F37-E41 HydrophobicContact CE2-CG 4.15Å; F37-E41 HydrophobicContact CZ-CG 3.68Å; F37-E41 PolarHBondContact O-N 3.03Å |
| 38 | G | 70.3 | Confident | 80.3 | Confident | 41 Ų | 41 | 98.9 Ų | 98.9 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F34 E35 S40 L42 | F34-G38 PolarHBondContact O-N 3.43Å; E35-G38 PolarHBondContact O-N 3.45Å; G38-S40 VanDerWaalsContact C-N 3.35Å; G38-L42 WeakPolarHBondContact O-CB 3.41Å; G38-L42 PolarHBondContact O-N 3.41Å |
| 39 | T | 73.6 | Confident | 80.5 | Confident | 90 Ų | 90 | 98.4 Ų | 98.4 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.8 | -34.3 | 175.1 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | E35 A36 F37 S43 | E35-T39 WeakPolarHBondContact O-CG2 3.43Å; E35-T39 PolarHBondContact O-N 3.17Å; E35-T39 PolarHBondContact O-OG1 3.44Å; E35-T39 VanDerWaalsContact O-OG1 3.11Å; A36-T39 PolarHBondContact O-OG1 3.12Å; F37-T39 PolarHBondContact O-N 3.06Å; T39-S43 WeakPolarHBondContact O-CB 3.39Å; T39-S43 PolarHBondContact O-N 2.87Å; T39-S43 PolarHBondContact O-OG 3.43Å |
| 40 | S | 75.2 | Confident | 80.9 | Confident | 66 Ų | 66 | 99.6 Ų | 99.6 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -50.2 | 175.8 | -178 | 0 | 0 | 0 | 0 | 112.1 | A36 F37 G38 S43 R44 | A36-S40 WeakPolarHBondContact O-CB 3.08Å; A36-S40 PolarHBondContact O-N 3.43Å; A36-S40 VanDerWaalsContact O-N 3.12Å; F37-S40 WeakPolarHBondContact O-CB 3.39Å; F37-S40 PolarHBondContact O-N 3.19Å; G38-S40 VanDerWaalsContact C-N 3.35Å; S40-S43 CarbonylContact O-C 3.6Å; S40-S43 PolarHBondContact O-N 3.17Å; S40-R44 WeakPolarHBondContact O-CB 3.49Å; S40-R44 PolarHBondContact O-N 2.89Å |
| 41 | E | 78.6 | Confident | 81.5 | Confident | 63 Ų | 63 | 97.1 Ų | 97.1 | 29% | 0.294 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | -179.8 | -72.5 | -60.8 | 133.2 | 0 | 0 | 112.3 | F37 S43 R44 N45 | F37-E41 HydrophobicContact CD1-CG 4.34Å; F37-E41 HydrophobicContact CE1-CG 3.78Å; F37-E41 HydrophobicContact CE2-CG 4.15Å; F37-E41 HydrophobicContact CZ-CG 3.68Å; F37-E41 PolarHBondContact O-N 3.03Å; E41-S43 VanDerWaalsContact C-N 3.31Å; E41-S43 PolarHBondContact O-N 3.45Å; E41-R44 WeakPolarHBondContact O-CB 3.4Å; E41-R44 PolarHBondContact O-N 3.17Å; E41-R44 IonicContact OE1-NH1 3.61Å; E41-N45 PolarHBondContact O-N 3.46Å |
| 42 | L | 77.1 | Confident | 81.9 | Confident | 105 Ų | 105 | 96.6 Ų | 96.6 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 173.6 | -179.6 | 63.6 | 0 | 0 | 0 | 111.3 | G38 R44 N45 R46 | G38-L42 WeakPolarHBondContact O-CB 3.41Å; G38-L42 PolarHBondContact O-N 3.41Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-N45 PolarHBondContact O-N 3.3Å; L42-R46 WeakPolarHBondContact O-CG 3.1Å; L42-R46 PolarHBondContact O-N 2.99Å |
| 43 | S | 78.2 | Confident | 82.7 | Confident | 42 Ų | 42 | 95.8 Ų | 95.8 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | T39 S40 E41 R46 S47 | T39-S43 WeakPolarHBondContact O-CB 3.39Å; T39-S43 PolarHBondContact O-N 2.87Å; T39-S43 PolarHBondContact O-OG 3.43Å; S40-S43 CarbonylContact O-C 3.6Å; S40-S43 PolarHBondContact O-N 3.17Å; E41-S43 VanDerWaalsContact C-N 3.31Å; E41-S43 PolarHBondContact O-N 3.45Å; S43-R46 PolarHBondContact O-N 2.92Å; S43-R46 PolarHBondContact OG-NH2 3.38Å; S43-S47 PolarHBondContact O-N 2.96Å; S43-S47 PolarHBondContact O-OG 3.26Å; S43-S47 VanDerWaalsContact O-OG 3.09Å |
| 44 | R | 79.5 | Confident | 83.6 | Confident | 140 Ų | 140 | 94.6 Ų | 94.6 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 174.3 | -169.7 | 179.7 | -175.8 | -177.7 | 0.7 | 111.4 | S40 E41 L42 R46 S47 Q48 | S40-R44 WeakPolarHBondContact O-CB 3.49Å; S40-R44 PolarHBondContact O-N 2.89Å; E41-R44 WeakPolarHBondContact O-CB 3.4Å; E41-R44 PolarHBondContact O-N 3.17Å; E41-R44 IonicContact OE1-NH1 3.61Å; L42-R44 VanDerWaalsContact C-N 3.33Å; R44-R46 PolarHBondContact O-N 3.45Å; R44-S47 PolarHBondContact O-N 3.49Å; R44-Q48 WeakPolarHBondContact O-CB 3.37Å; R44-Q48 VanDerWaalsContact O-CG 3.29Å; R44-Q48 WeakPolarHBondContact O-CG 3.37Å; R44-Q48 PolarHBondContact O-N 2.95Å |
| 45 | N | 88.3 | Confident | 84.6 | Confident | 81 Ų | 81 | 90.7 Ų | 90.7 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.3 | -76.1 | -10.6 | 0 | 0 | 0 | 111.7 | E41 L42 Q48 I49 | E41-N45 PolarHBondContact O-N 3.46Å; L42-N45 PolarHBondContact O-N 3.3Å; N45-Q48 PolarHBondContact O-N 3.27Å; N45-Q48 PolarHBondContact OD1-OE1 3.26Å; N45-I49 WeakPolarHBondContact O-CD1 3.23Å; N45-I49 VanDerWaalsContact O-CG1 3.29Å; N45-I49 WeakPolarHBondContact O-CG1 3.43Å; N45-I49 PolarHBondContact O-N 3.48Å |
| 46 | R | 91.4 | Very high | 85.5 | Confident | 126 Ų | 126 | 94.4 Ų | 94.4 | 48% | 0.475 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.4 | -68.1 | -165.2 | -51.8 | -85.6 | -5.2 | 111.6 | L42 S43 R44 Q48 I49 L50 | L42-R46 WeakPolarHBondContact O-CG 3.1Å; L42-R46 PolarHBondContact O-N 2.99Å; S43-R46 PolarHBondContact O-N 2.92Å; S43-R46 PolarHBondContact OG-NH2 3.38Å; R44-R46 PolarHBondContact O-N 3.45Å; R46-Q48 VanDerWaalsContact C-N 3.3Å; R46-Q48 PolarHBondContact O-N 3.35Å; R46-I49 PolarHBondContact O-N 3.47Å; R46-L50 WeakPolarHBondContact O-CG 3.26Å; R46-L50 PolarHBondContact O-N 3.4Å |
| 47 | S | 91.8 | Very high | 86.6 | Confident | 62 Ų | 62 | 97.6 Ų | 97.6 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 178.5 | -64.1 | 0 | 0 | 0 | 0 | 112 | S43 R44 L50 N51 | S43-S47 PolarHBondContact O-N 2.96Å; S43-S47 PolarHBondContact O-OG 3.26Å; S43-S47 VanDerWaalsContact O-OG 3.09Å; R44-S47 PolarHBondContact O-N 3.49Å; S47-L50 PolarHBondContact O-N 3.35Å; S47-N51 WeakPolarHBondContact O-CB 3.46Å; S47-N51 PolarHBondContact O-N 3.05Å; S47-N51 PolarHBondContact O-ND2 2.99Å |
| 48 | Q | 93.8 | Very high | 87.5 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 175.4 | -76.5 | 173.2 | -37.8 | 0 | 0 | 111.8 | R44 N45 R46 L50 N51 L52 | R44-Q48 WeakPolarHBondContact O-CB 3.37Å; R44-Q48 VanDerWaalsContact O-CG 3.29Å; R44-Q48 WeakPolarHBondContact O-CG 3.37Å; R44-Q48 PolarHBondContact O-N 2.95Å; N45-Q48 PolarHBondContact O-N 3.27Å; N45-Q48 PolarHBondContact OD1-OE1 3.26Å; R46-Q48 VanDerWaalsContact C-N 3.3Å; R46-Q48 PolarHBondContact O-N 3.35Å; Q48-L50 PolarHBondContact O-N 3.46Å; Q48-N51 PolarHBondContact O-N 3.34Å; Q48-L52 WeakPolarHBondContact O-CG 3.35Å; Q48-L52 PolarHBondContact O-N 3.04Å |
| 49 | I | 93.1 | Very high | 88.7 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.6 | -67.6 | 163.3 | 0 | 0 | 0 | 110.6 | N45 R46 N51 L52 L53 | N45-I49 WeakPolarHBondContact O-CD1 3.23Å; N45-I49 VanDerWaalsContact O-CG1 3.29Å; N45-I49 WeakPolarHBondContact O-CG1 3.43Å; N45-I49 PolarHBondContact O-N 3.48Å; R46-I49 PolarHBondContact O-N 3.47Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 3.03Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 3.46Å; I49-L52 VanDerWaalsContact O-N 3.16Å; I49-L53 HydrophobicContact CG2-CD1 4.05Å; I49-L53 HydrophobicContact CG2-CG 4.45Å; I49-L53 WeakPolarHBondContact O-CG 3.24Å; I49-L53 PolarHBondContact O-N 3.45Å |
| 50 | L | 94.7 | Very high | 89.8 | Confident | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 178.4 | -66.8 | 176.2 | 0 | 0 | 0 | 111.5 | R46 S47 Q48 L52 L53 I54 | R46-L50 WeakPolarHBondContact O-CG 3.26Å; R46-L50 PolarHBondContact O-N 3.4Å; S47-L50 PolarHBondContact O-N 3.35Å; Q48-L50 PolarHBondContact O-N 3.46Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 PolarHBondContact O-N 3.06Å; L50-L53 PolarHBondContact O-N 2.92Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.37Å; L50-I54 PolarHBondContact O-N 3.07Å; L50-I54 VanDerWaalsContact O-N 3.07Å |
| 51 | N | 95.2 | Very high | 90.7 | Very high | 102 Ų | 102 | 109.4 Ų | 109.4 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 176.4 | -74.2 | -23.9 | 0 | 0 | 0 | 112.5 | S47 Q48 I49 N55 | S47-N51 WeakPolarHBondContact O-CB 3.46Å; S47-N51 PolarHBondContact O-N 3.05Å; S47-N51 PolarHBondContact O-ND2 2.99Å; Q48-N51 PolarHBondContact O-N 3.34Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 3.03Å; N51-N55 WeakPolarHBondContact O-CB 3.5Å; N51-N55 PolarHBondContact O-N 2.91Å |
| 52 | L | 94.4 | Very high | 91.5 | Very high | 120 Ų | 120 | 116 Ų | 116 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.5 | -45.4 | 175.2 | -70.2 | 170.8 | 0 | 0 | 0 | 111.6 | Q48 I49 L50 I54 N55 | Q48-L52 WeakPolarHBondContact O-CG 3.35Å; Q48-L52 PolarHBondContact O-N 3.04Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 3.46Å; I49-L52 VanDerWaalsContact O-N 3.16Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 PolarHBondContact O-N 3.06Å; L52-I54 VanDerWaalsContact C-N 3.32Å; L52-I54 PolarHBondContact O-N 3.45Å; L52-N55 WeakPolarHBondContact O-CB 3.5Å; L52-N55 PolarHBondContact O-N 2.97Å |
| 53 | L | 95 | Very high | 92.3 | Very high | 102 Ų | 102 | 115.2 Ų | 115.2 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -33.2 | -177.7 | -68.8 | 174.5 | 0 | 0 | 0 | 113.2 | I49 L50 Y59 | I49-L53 HydrophobicContact CG2-CD1 4.05Å; I49-L53 HydrophobicContact CG2-CG 4.45Å; I49-L53 WeakPolarHBondContact O-CG 3.24Å; I49-L53 PolarHBondContact O-N 3.45Å; L50-L53 PolarHBondContact O-N 2.92Å; L53-Y59 WeakPolarHBondContact O-CB 3.41Å |
| 54 | I | 94.9 | Very high | 93.1 | Very high | 106 Ų | 106 | 118.1 Ų | 118.1 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | 6 | -179.1 | 74.1 | -175.4 | 0 | 0 | 0 | 113.5 | L50 L52 K56 | L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.37Å; L50-I54 PolarHBondContact O-N 3.07Å; L50-I54 VanDerWaalsContact O-N 3.07Å; L52-I54 VanDerWaalsContact C-N 3.32Å; L52-I54 PolarHBondContact O-N 3.45Å; I54-K56 PolarHBondContact O-N 3.22Å |
| 55 | N | 96 | Very high | 93.9 | Very high | 73 Ų | 73 | 115.7 Ų | 115.7 | 39% | 0.39 | 55% | 0.553 | S | S | . | * | trans | -61.9 | 121.4 | -179.2 | -172.9 | -13.7 | 0 | 0 | 0 | 110.1 | N51 L52 T57 Y58 Y59 | N51-N55 WeakPolarHBondContact O-CB 3.5Å; N51-N55 PolarHBondContact O-N 2.91Å; L52-N55 WeakPolarHBondContact O-CB 3.5Å; L52-N55 PolarHBondContact O-N 2.97Å; N55-T57 VanDerWaalsContact CG-OG1 3.31Å; N55-T57 PolarHBondContact ND2-OG1 3.46Å; N55-T57 PolarHBondContact O-N 3.46Å; N55-T57 VanDerWaalsContact O-N 3.12Å; N55-T57 PolarHBondContact OD1-N 3Å; N55-T57 PolarHBondContact OD1-OG1 3.4Å; N55-T57 VanDerWaalsContact OD1-OG1 3.07Å; N55-Y58 PolarHBondContact O-N 3.08Å; N55-Y59 PolarHBondContact O-N 2.96Å | ||
| 56 | K | 92.8 | Very high | 94.2 | Very high | 191 Ų | 191 | 117.1 Ų | 117.1 | 83% | 0.83 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -18.3 | -175.6 | -65.6 | -177.4 | -179.6 | 175.5 | 0 | 114.3 | I54 Y58 | I54-K56 PolarHBondContact O-N 3.22Å; K56-Y58 VanDerWaalsContact C-N 3.25Å |
| 57 | T | 93.3 | Very high | 94.4 | Very high | 127 Ų | 127 | 119.2 Ų | 119.2 | 78% | 0.779 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -21.4 | 173.6 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | N55 | N55-T57 VanDerWaalsContact CG-OG1 3.31Å; N55-T57 PolarHBondContact ND2-OG1 3.46Å; N55-T57 PolarHBondContact O-N 3.46Å; N55-T57 VanDerWaalsContact O-N 3.12Å; N55-T57 PolarHBondContact OD1-N 3Å; N55-T57 PolarHBondContact OD1-OG1 3.4Å; N55-T57 VanDerWaalsContact OD1-OG1 3.07Å |
| 58 | Y | 90.3 | Very high | 94.6 | Very high | 193 Ų | 193 | 120.1 Ų | 120.1 | 76% | 0.757 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -43.1 | -177.5 | 177.3 | -102.7 | 0 | 0 | 0 | 112.5 | N55 K56 | N55-Y58 PolarHBondContact O-N 3.08Å; K56-Y58 VanDerWaalsContact C-N 3.25Å |
| 59 | Y | 94.9 | Very high | 94.7 | Very high | 137 Ų | 137 | 117.6 Ų | 117.6 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | trans | -100.6 | 110.8 | -177.6 | -177.3 | -102.1 | 0 | 0 | 0 | 111.9 | L53 N55 K61 | L53-Y59 WeakPolarHBondContact O-CB 3.41Å; N55-Y59 PolarHBondContact O-N 2.96Å; Y59-K61 HydrophobicContact CE1-CB 3.93Å | ||
| 60 | D | 96.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 117.7 Ų | 117.7 | 29% | 0.289 | 60% | 0.595 | S | S | . | * | trans | -104.8 | 108.5 | 170.4 | -170.8 | -13.1 | 0 | 0 | 0 | 111.1 | R62 L63 | D60-R62 PolarHBondContact O-N 3.45Å; D60-R62 VanDerWaalsContact O-N 3.11Å; D60-R62 WeakPolarHBondContact OD1-CB 3.39Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 IonicContact OD1-CZ 3.89Å; D60-R62 PolarHBondContact OD1-N 2.87Å; D60-R62 IonicContact OD1-NE 3.02Å; D60-R62 PolarHBondContact OD1-NE 2.96Å; D60-R62 IonicContact OD1-NH2 3.87Å; D60-R62 IonicContact OD2-CZ 3.41Å; D60-R62 IonicContact OD2-NE 3.23Å; D60-R62 PolarHBondContact OD2-NE 3.39Å; D60-R62 IonicContact OD2-NH2 2.73Å; D60-R62 PolarHBondContact OD2-NH2 3.07Å; D60-L63 HydrophobicContact CB-CD1 4.26Å; D60-L63 HydrophobicContact CB-CG 4.32Å; D60-L63 PolarHBondContact O-N 3.29Å | ||
| 61 | K | 94.8 | Very high | 95 | Very high | 179 Ų | 179 | 118.1 Ų | 118.1 | 78% | 0.778 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -10.1 | -179.3 | 70.8 | 179.3 | -178.1 | 173.8 | 0 | 115.1 | Y59 L63 | Y59-K61 HydrophobicContact CE1-CB 3.93Å; K61-L63 VanDerWaalsContact C-N 3.32Å |
| 62 | R | 94.8 | Very high | 95 | Very high | 203 Ų | 203 | 115.8 Ų | 115.8 | 77% | 0.766 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -15.3 | 178.1 | -58.7 | 173.1 | -64.6 | 174.1 | 6.2 | 112 | D60 | D60-R62 PolarHBondContact O-N 3.45Å; D60-R62 VanDerWaalsContact O-N 3.11Å; D60-R62 WeakPolarHBondContact OD1-CB 3.39Å; D60-R62 WeakPolarHBondContact OD1-CG 3.37Å; D60-R62 IonicContact OD1-CZ 3.89Å; D60-R62 PolarHBondContact OD1-N 2.87Å; D60-R62 IonicContact OD1-NE 3.02Å; D60-R62 PolarHBondContact OD1-NE 2.96Å; D60-R62 IonicContact OD1-NH2 3.87Å; D60-R62 IonicContact OD2-CZ 3.41Å; D60-R62 IonicContact OD2-NE 3.23Å; D60-R62 PolarHBondContact OD2-NE 3.39Å; D60-R62 IonicContact OD2-NH2 2.73Å; D60-R62 PolarHBondContact OD2-NH2 3.07Å |
| 63 | L | 95.2 | Very high | 95.2 | Very high | 87 Ų | 87 | 117.5 Ų | 117.5 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -97.2 | 130.3 | -179.5 | -59.3 | -179.2 | 0 | 0 | 0 | 110.2 | D60 K61 Y67 | D60-L63 HydrophobicContact CB-CD1 4.26Å; D60-L63 HydrophobicContact CB-CG 4.32Å; D60-L63 PolarHBondContact O-N 3.29Å; K61-L63 VanDerWaalsContact C-N 3.32Å; L63-Y67 HydrophobicContact CB-CG 4.45Å; L63-Y67 HydrophobicContact CD2-CD1 4.03Å; L63-Y67 HydrophobicContact CD2-CD2 3.95Å; L63-Y67 HydrophobicContact CD2-CE1 4.15Å; L63-Y67 HydrophobicContact CD2-CE2 4.08Å; L63-Y67 HydrophobicContact CD2-CG 3.92Å |
| 64 | R | 95.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 118 Ų | 118 | 39% | 0.389 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -64 | 146.7 | 168.1 | -179.7 | 179.9 | 55.1 | 83.7 | -16.5 | 109.4 | N66 Y67 P70 V72 | R64-N66 PolarHBondContact O-N 3.26Å; R64-Y67 WeakPolarHBondContact O-CB 3.41Å; R64-Y67 PolarHBondContact O-N 3.16Å; R64-Y67 VanDerWaalsContact O-N 3.12Å; R64-P70 PolarHBondContact NH1-O 3.38Å; R64-V72 HydrophobicContact CG-CG2 3.8Å |
| 65 | P | 95.7 | Very high | 95.4 | Very high | 89 Ų | 89 | 116.7 Ų | 116.7 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 140.8 | 167.3 | -25.3 | 33.7 | 0 | 0 | 0 | 111.7 | Y67 V72 | P65-Y67 VanDerWaalsContact C-N 3.31Å; P65-Y67 PolarHBondContact O-N 3.42Å; P65-V72 HydrophobicContact CB-CG2 3.85Å; P65-V72 HydrophobicContact CG-CG2 4.38Å; P65-V72 WeakPolarHBondContact O-CG2 3.42Å |
| 66 | N | 94.5 | Very high | 95.4 | Very high | 112 Ų | 112 | 119.8 Ų | 119.8 | 60% | 0.599 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.2 | 42.4 | -172.5 | -55.5 | -30.3 | 0 | 0 | 0 | 113.1 | R64 G68 G69 | R64-N66 PolarHBondContact O-N 3.26Å; N66-G68 PolarHBondContact O-N 3.49Å; N66-G69 WeakPolarHBondContact O-CA 3.42Å; N66-G69 PolarHBondContact O-N 2.91Å |
| 67 | Y | 95.2 | Very high | 95.6 | Very high | 170 Ų | 170 | 117.3 Ų | 117.3 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 129.8 | 176.1 | -169.6 | -98.6 | 0 | 0 | 0 | 111.1 | L63 R64 P65 G69 | L63-Y67 HydrophobicContact CB-CG 4.45Å; L63-Y67 HydrophobicContact CD2-CD1 4.03Å; L63-Y67 HydrophobicContact CD2-CD2 3.95Å; L63-Y67 HydrophobicContact CD2-CE1 4.15Å; L63-Y67 HydrophobicContact CD2-CE2 4.08Å; L63-Y67 HydrophobicContact CD2-CG 3.92Å; R64-Y67 WeakPolarHBondContact O-CB 3.41Å; R64-Y67 PolarHBondContact O-N 3.16Å; R64-Y67 VanDerWaalsContact O-N 3.12Å; P65-Y67 VanDerWaalsContact C-N 3.31Å; P65-Y67 PolarHBondContact O-N 3.42Å; Y67-G69 PolarHBondContact O-N 3.05Å |
| 68 | G | 95.9 | Very high | 95.8 | Very high | 81 Ų | 81 | 119 Ų | 119 | 84% | 0.835 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.5 | -6.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N66 | N66-G68 PolarHBondContact O-N 3.49Š|
| 69 | G | 97 | Very high | 96.1 | Very high | 40 Ų | 40 | 117.5 Ų | 117.5 | 41% | 0.412 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -106.8 | -157.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | N66 Y67 | N66-G69 WeakPolarHBondContact O-CA 3.42Å; N66-G69 PolarHBondContact O-N 2.91Å; Y67-G69 PolarHBondContact O-N 3.05Å |
| 70 | P | 96.9 | Very high | 96.2 | Very high | 101 Ų | 101 | 115.8 Ų | 115.8 | 66% | 0.656 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -55.3 | 162.2 | 177.2 | -25.5 | 34.9 | 0 | 0 | 0 | 113.8 | R64 | R64-P70 PolarHBondContact NH1-O 3.38Š|
| 71 | T | 96.4 | Very high | 96.2 | Very high | 110 Ų | 110 | 118.1 Ų | 118.1 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 155.9 | 173.5 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 72 | V | 96.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 114 Ų | 114 | 33% | 0.327 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -94.3 | 125.7 | 173.8 | 173.9 | 0 | 0 | 0 | 0 | 108.5 | R64 P65 V74 | R64-V72 HydrophobicContact CG-CG2 3.8Å; P65-V72 HydrophobicContact CB-CG2 3.85Å; P65-V72 HydrophobicContact CG-CG2 4.38Å; P65-V72 WeakPolarHBondContact O-CG2 3.42Å; V72-V74 HydrophobicContact CG1-CG2 4.25Å |
| 73 | D | 97 | Very high | 96.3 | Very high | 155 Ų | 155 | 111 Ų | 111 | 83% | 0.829 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 124.9 | 171.7 | -62.7 | -36.6 | 0 | 0 | 0 | 109.8 | ||
| 74 | V | 96.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 111.6 Ų | 111.6 | 69% | 0.685 | 66% | 0.664 | S | S | * | * | trans | -113.9 | 109 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | V72 I76 | V72-V74 HydrophobicContact CG1-CG2 4.25Å; V74-I76 HydrophobicContact CG1-CG1 4.33Å | ||
| 75 | G | 97.5 | Very high | 96.1 | Very high | 78 Ų | 78 | 111.8 Ų | 111.8 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -73.7 | 123.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 76 | I | 96.9 | Very high | 96 | Very high | 139 Ų | 139 | 113.3 Ų | 113.3 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | trans | -109.5 | 127.1 | 179.6 | -58 | 172.7 | 0 | 0 | 0 | 109 | V74 M78 | V74-I76 HydrophobicContact CG1-CG1 4.33Å; I76-M78 HydrophobicContact CG2-CG 4.2Å | ||
| 77 | T | 97.7 | Very high | 95.9 | Very high | 139 Ų | 139 | 110 Ų | 110 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -124.2 | 122.9 | 171.9 | -55.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 78 | M | 96.9 | Very high | 95.6 | Very high | 162 Ų | 162 | 110.6 Ų | 110.6 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | trans | -106.8 | 131.9 | 177.2 | -64.5 | -171.8 | -64.3 | 0 | 0 | 110.4 | I76 | I76-M78 HydrophobicContact CG2-CG 4.2Š| ||
| 79 | H | 97.5 | Very high | 95.5 | Very high | 162 Ų | 162 | 112.6 Ų | 112.6 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | trans | -114.8 | 107.7 | 169.1 | 179.3 | -83.2 | 0 | 0 | 0 | 108.9 | ||||
| 80 | V | 95.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 118.4 Ų | 118.4 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | trans | -91.8 | 109.2 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | I83 | V80-I83 HydrophobicContact CG1-CD1 4.49Å; V80-I83 HydrophobicContact CG1-CG1 3.8Å | ||
| 81 | S | 97.6 | Very high | 94.7 | Very high | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | -74.4 | -40.3 | -179 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 82 | S | 97.3 | Very high | 93.7 | Very high | 91 Ų | 91 | 125.1 Ų | 125.1 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -158.2 | 151.2 | 173.3 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 83 | I | 94.3 | Very high | 93.6 | Very high | 142 Ų | 142 | 128.7 Ų | 128.7 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | trans | -104.4 | 119 | 165.9 | -58.8 | 175.1 | 0 | 0 | 0 | 106.1 | V80 V86 | V80-I83 HydrophobicContact CG1-CD1 4.49Å; V80-I83 HydrophobicContact CG1-CG1 3.8Å; I83-V86 HydrophobicContact CG2-CG2 4.41Å | ||
| 84 | S | 94.6 | Very high | 93.4 | Very high | 98 Ų | 98 | 127.3 Ų | 127.3 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -75.8 | -173.5 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | V86 | S84-V86 PolarHBondContact O-N 3.08Š| ||
| 85 | A | 91.5 | Very high | 93.2 | Very high | 107 Ų | 107 | 128.1 Ų | 128.1 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 136.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 86 | V | 92.7 | Very high | 93 | Very high | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 122.4 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | I83 S84 | I83-V86 HydrophobicContact CG2-CG2 4.41Å; S84-V86 PolarHBondContact O-N 3.08Å |
| 87 | S | 93.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 130.6 Ų | 130.6 | 30% | 0.301 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -98.6 | 120.3 | -178.6 | 179.5 | 0 | 0 | 0 | 0 | 111 | V89 E90 M91 | S87-V89 VanDerWaalsContact C-N 3.27Å; S87-V89 PolarHBondContact O-N 3.49Å; S87-V89 PolarHBondContact OG-N 3.3Å; S87-E90 PolarHBondContact OG-N 3.23Å; S87-M91 VanDerWaalsContact O-CG 3.26Å; S87-M91 WeakPolarHBondContact O-CG 3.46Å |
| 88 | E | 89.5 | Confident | 92.4 | Very high | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -66.9 | -29.8 | 173 | -65.1 | 173.2 | -168.7 | 0 | 0 | 112.1 | ||
| 89 | V | 92.4 | Very high | 92.1 | Very high | 123 Ų | 123 | 127.7 Ų | 127.7 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -75.7 | -28.3 | -176.4 | -177.8 | 0 | 0 | 0 | 0 | 112 | S87 V92 | S87-V89 VanDerWaalsContact C-N 3.27Å; S87-V89 PolarHBondContact O-N 3.49Å; S87-V89 PolarHBondContact OG-N 3.3Å; V89-V92 WeakPolarHBondContact O-CG2 3.4Å |
| 90 | E | 91.4 | Very high | 91.7 | Very high | 163 Ų | 163 | 125.1 Ų | 125.1 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -88.1 | -9.4 | -178.1 | -66.3 | 178.7 | 165.7 | 0 | 0 | 113.1 | S87 V92 | S87-E90 PolarHBondContact OG-N 3.23Å; E90-V92 VanDerWaalsContact C-N 3.3Å; E90-V92 PolarHBondContact O-N 3.44Å |
| 91 | M | 86.5 | Confident | 91.4 | Very high | 155 Ų | 155 | 127.1 Ų | 127.1 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | -89.6 | 57.9 | 178.8 | -65.4 | -69 | -63.9 | 0 | 0 | 111.1 | S87 | S87-M91 VanDerWaalsContact O-CG 3.26Å; S87-M91 WeakPolarHBondContact O-CG 3.46Å | ||
| 92 | V | 75.9 | Confident | 90.8 | Very high | 197 Ų | 197 | 129.3 Ų | 129.3 | 100% | 1.194 | 75% | 0.753 | S | S | * | * | trans | -95.4 | 0 | 176.8 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | V89 E90 | V89-V92 WeakPolarHBondContact O-CG2 3.4Å; E90-V92 VanDerWaalsContact C-N 3.3Å; E90-V92 PolarHBondContact O-N 3.44Å |
Retrieved 92 of 92 residues in 58.6 ms
(Link to these results)