| 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 | 58.3 | Low | 74 | Confident | 237 Ų | 237 | 117.4 Ų | 117.4 | 100% | 1.167 | 63% | 0.629 | S | S | * | * | 0 | 128.5 | 0 | -61.5 | -165.3 | 77.5 | 0 | 0 | 107.9 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.3Š| |||
| 2 | K | 63.4 | Low | 74.3 | Confident | 184 Ų | 184 | 114 Ų | 114 | 80% | 0.8 | 62% | 0.622 | S | S | * | * | trans | -70.9 | 119 | -168.5 | -63.2 | 155.6 | -179.7 | 176.1 | 0 | 108.5 | V4 P5 | K2-V4 HydrophobicContact CB-CG2 4.5Å; K2-V4 PolarHBondContact O-N 2.85Å; K2-P5 WeakPolarHBondContact O-CD 3.39Å | ||
| 3 | P | 70 | Confident | 74.7 | Confident | 85 Ų | 85 | 111.8 Ų | 111.8 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | trans | -77.8 | -2.7 | -178 | 31.7 | -35.3 | 0 | 0 | 0 | 113.4 | M1 P5 L6 L7 | M1-P3 WeakPolarHBondContact O-CD 3.3Å; P3-P5 VanDerWaalsContact C-CD 3.45Å; P3-L6 WeakPolarHBondContact O-CB 3.42Å; P3-L6 PolarHBondContact O-N 3.24Å; P3-L6 VanDerWaalsContact O-N 3.11Å; P3-L7 PolarHBondContact O-N 2.81Å; P3-L7 VanDerWaalsContact O-N 3.1Å | ||
| 4 | V | 71.1 | Confident | 74.5 | Confident | 90 Ų | 90 | 111.1 Ų | 111.1 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -52.1 | -46.2 | -177.9 | -174.6 | 0 | 0 | 0 | 0 | 114.7 | K2 L6 L7 L8 | K2-V4 HydrophobicContact CB-CG2 4.5Å; K2-V4 PolarHBondContact O-N 2.85Å; V4-L6 VanDerWaalsContact C-N 3.28Å; V4-L6 PolarHBondContact O-N 3.49Å; V4-L7 PolarHBondContact O-N 3.48Å; V4-L8 HydrophobicContact CG1-CD1 4.25Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 2.97Å; V4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | P | 73.8 | Confident | 74.1 | Confident | 85 Ų | 85 | 113.1 Ų | 113.1 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.5 | -28.2 | -179.8 | 28.4 | -32.5 | 0 | 0 | 0 | 112.2 | K2 P3 L9 | K2-P5 WeakPolarHBondContact O-CD 3.39Å; P3-P5 VanDerWaalsContact C-CD 3.45Å; P5-L9 WeakPolarHBondContact O-CB 3.4Å; P5-L9 PolarHBondContact O-N 3.3Å |
| 6 | L | 76.5 | Confident | 73.6 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.5 | -39 | -180 | -142.1 | 159.7 | 0 | 0 | 0 | 110.8 | P3 V4 L9 L10 | P3-L6 WeakPolarHBondContact O-CB 3.42Å; P3-L6 PolarHBondContact O-N 3.24Å; P3-L6 VanDerWaalsContact O-N 3.11Å; V4-L6 VanDerWaalsContact C-N 3.28Å; V4-L6 PolarHBondContact O-N 3.49Å; L6-L9 PolarHBondContact O-N 2.9Å; L6-L10 HydrophobicContact CD2-CD1 3.81Å; L6-L10 HydrophobicContact CD2-CG 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.34Å |
| 7 | L | 80.3 | Confident | 72.9 | Confident | 111 Ų | 111 | 110.1 Ų | 110.1 | 58% | 0.581 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.4 | -38 | 172.9 | -70.9 | 170.8 | 0 | 0 | 0 | 112.5 | P3 V4 S11 | P3-L7 PolarHBondContact O-N 2.81Å; P3-L7 VanDerWaalsContact O-N 3.1Å; V4-L7 PolarHBondContact O-N 3.48Å; L7-S11 WeakPolarHBondContact O-CB 3.37Å; L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 PolarHBondContact O-OG 2.92Å |
| 8 | L | 81.1 | Confident | 72.1 | Confident | 112 Ų | 112 | 111.3 Ų | 111.3 | 59% | 0.586 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.2 | -37.4 | 174.7 | -78.2 | 167.8 | 0 | 0 | 0 | 112.5 | V4 S11 S12 | V4-L8 HydrophobicContact CG1-CD1 4.25Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 2.97Å; V4-L8 VanDerWaalsContact O-N 3.12Å; L8-S11 PolarHBondContact O-OG 3.29Å; L8-S12 VanDerWaalsContact O-CB 3.31Å; L8-S12 WeakPolarHBondContact O-CB 3.47Å; L8-S12 PolarHBondContact O-N 2.88Å |
| 9 | L | 80.4 | Confident | 71.2 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 62% | 0.618 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.6 | -40.8 | 178.1 | -155.7 | 144.5 | 0 | 0 | 0 | 110.7 | P5 L6 S12 V13 | P5-L9 WeakPolarHBondContact O-CB 3.4Å; P5-L9 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 2.9Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-V13 HydrophobicContact CD2-CG2 4.21Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.05Å; L9-V13 PolarHBondContact O-N 3.44Å |
| 10 | L | 79.3 | Confident | 70.3 | Confident | 91 Ų | 91 | 117.7 Ų | 117.7 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64 | -42.2 | 173.8 | -75.8 | 169.6 | 0 | 0 | 0 | 112.5 | L6 V13 L14 | L6-L10 HydrophobicContact CD2-CD1 3.81Å; L6-L10 HydrophobicContact CD2-CG 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.34Å; L10-V13 PolarHBondContact O-N 3.22Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 2.98Å |
| 11 | S | 79.5 | Confident | 69.4 | Low | 63 Ų | 63 | 117.9 Ų | 117.9 | 44% | 0.441 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.8 | -36.6 | 177.3 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | L7 L8 L15 | L7-S11 WeakPolarHBondContact O-CB 3.37Å; L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 PolarHBondContact O-OG 2.92Å; L8-S11 PolarHBondContact O-OG 3.29Å; S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.42Å; S11-L15 PolarHBondContact O-N 3.34Å |
| 12 | S | 78.1 | Confident | 69 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.2 | -43.5 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | L8 L9 L15 S16 | L8-S12 VanDerWaalsContact O-CB 3.31Å; L8-S12 WeakPolarHBondContact O-CB 3.47Å; L8-S12 PolarHBondContact O-N 2.88Å; L9-S12 PolarHBondContact O-N 3.36Å; S12-L15 PolarHBondContact O-N 3.49Å; S12-S16 WeakPolarHBondContact O-CB 3.39Å; S12-S16 PolarHBondContact O-N 3.45Å |
| 13 | V | 79.3 | Confident | 68.6 | Low | 85 Ų | 85 | 107.1 Ų | 107.1 | 52% | 0.515 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.2 | -42.8 | 177 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L9 L10 S16 S17 | L9-V13 HydrophobicContact CD2-CG2 4.21Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.05Å; L9-V13 PolarHBondContact O-N 3.44Å; L10-V13 PolarHBondContact O-N 3.22Å; V13-S16 PolarHBondContact O-N 3.42Å; V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.9Å; V13-S17 PolarHBondContact O-OG 2.97Å |
| 14 | L | 72.1 | Confident | 67.6 | Low | 103 Ų | 103 | 106.6 Ų | 106.6 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64 | -42 | 176.3 | -73.5 | 167.2 | 0 | 0 | 0 | 111.6 | L10 S16 S17 H18 | L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 2.98Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.94Å; L14-S17 PolarHBondContact O-N 3.39Å; L14-S17 PolarHBondContact O-OG 3.48Å; L14-H18 PolarHBondContact O-CE1 2.85Å; L14-H18 PolarHBondContact O-N 3.31Å; L14-H18 PolarHBondContact O-ND1 3.33Å |
| 15 | L | 68 | Low | 66.3 | Low | 140 Ų | 140 | 110.6 Ų | 110.6 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68 | -31.8 | 178 | -165.6 | 64.9 | 0 | 0 | 0 | 112.3 | S11 S12 | S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.42Å; S11-L15 PolarHBondContact O-N 3.34Å; S12-L15 PolarHBondContact O-N 3.49Å |
| 16 | S | 67.1 | Low | 64.9 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.8 | -25.2 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 113.5 | S12 V13 L14 | S12-S16 WeakPolarHBondContact O-CB 3.39Å; S12-S16 PolarHBondContact O-N 3.45Å; V13-S16 PolarHBondContact O-N 3.42Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.94Å |
| 17 | S | 60.4 | Low | 63.9 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 51% | 0.51 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.7 | -1 | -176.4 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | V13 L14 P19 | V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.9Å; V13-S17 PolarHBondContact O-OG 2.97Å; L14-S17 PolarHBondContact O-N 3.39Å; L14-S17 PolarHBondContact O-OG 3.48Å; S17-P19 WeakPolarHBondContact O-CD 3.18Å |
| 18 | H | 58.5 | Low | 62.5 | Low | 132 Ų | 132 | 117 Ų | 117 | 61% | 0.611 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -76.2 | 107.6 | 170.8 | -74.3 | 46 | 0 | 0 | 0 | 108.5 | L14 R20 | L14-H18 PolarHBondContact O-CE1 2.85Å; L14-H18 PolarHBondContact O-N 3.31Å; L14-H18 PolarHBondContact O-ND1 3.33Å; H18-R20 PolarHBondContact O-N 2.88Å; H18-R20 VanDerWaalsContact O-N 3.1Å |
| 19 | P | 54.8 | Low | 60.6 | Low | 115 Ų | 115 | 117.9 Ų | 117.9 | 75% | 0.747 | 67% | 0.667 | S | S | * | * | trans | -60.7 | 121.9 | 169.2 | 27.7 | -32.8 | 0 | 0 | 0 | 106.5 | S17 P21 | S17-P19 WeakPolarHBondContact O-CD 3.18Å; P19-P21 WeakPolarHBondContact O-CD 3.39Å | ||
| 20 | R | 53.8 | Low | 59 | Low | 235 Ų | 235 | 117.2 Ų | 117.2 | 89% | 0.887 | 67% | 0.67 | S | S | * | * | trans | -45.3 | 117.9 | 167.3 | -92.5 | -177.7 | 169.2 | 130.5 | -3.7 | 107.1 | H18 A22 | H18-R20 PolarHBondContact O-N 2.88Å; H18-R20 VanDerWaalsContact O-N 3.1Å; R20-A22 VanDerWaalsContact C-N 3.3Å; R20-A22 PolarHBondContact O-N 3.08Å | ||
| 21 | P | 52.2 | Low | 57.6 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | trans | -63 | 106.6 | 162.9 | 24.5 | -27.5 | 0 | 0 | 0 | 104.7 | P19 A23 | P19-P21 WeakPolarHBondContact O-CD 3.39Å; P21-A23 PolarHBondContact O-N 3.06Å | ||
| 22 | A | 48.4 | Very low | 56.3 | Low | 87 Ų | 87 | 121.3 Ų | 121.3 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | trans | -61.1 | 90.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | R20 G24 | R20-A22 VanDerWaalsContact C-N 3.3Å; R20-A22 PolarHBondContact O-N 3.08Å; A22-G24 VanDerWaalsContact C-N 3.29Å; A22-G24 PolarHBondContact O-N 3Å | ||
| 23 | A | 55.1 | Low | 54.7 | Low | 108 Ų | 108 | 124.3 Ų | 124.3 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 94.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | P21 | P21-A23 PolarHBondContact O-N 3.06Š|
| 24 | G | 49.7 | Very low | 53.2 | Low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.9 | 1.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | A22 P26 | A22-G24 VanDerWaalsContact C-N 3.29Å; A22-G24 PolarHBondContact O-N 3Å; G24-P26 VanDerWaalsContact O-CD 3.27Å; G24-P26 WeakPolarHBondContact O-CD 3.44Å |
| 25 | R | 44.7 | Very low | 52.1 | Low | 174 Ų | 174 | 124.2 Ų | 124.2 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -92.2 | 111.3 | 172.3 | -160.3 | 175 | -162.5 | 162.2 | 8.1 | 110.7 | R27 | R25-R27 PolarHBondContact O-N 3.33Å; R25-R27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | P | 44.2 | Very low | 51.3 | Low | 101 Ų | 101 | 122.8 Ų | 122.8 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | trans | -60.6 | 119.6 | 163.3 | 24.8 | -30.3 | 0 | 0 | 0 | 107.9 | G24 S28 | G24-P26 VanDerWaalsContact O-CD 3.27Å; G24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-S28 PolarHBondContact O-N 3.31Å | ||
| 27 | R | 54.6 | Low | 50.5 | Low | 247 Ų | 247 | 119 Ų | 119 | 93% | 0.932 | 68% | 0.684 | S | S | * | * | trans | -77.6 | 64.7 | 173.1 | -81.2 | -178.4 | 159.7 | 141.6 | -5.9 | 110.2 | R25 | R25-R27 PolarHBondContact O-N 3.33Å; R25-R27 VanDerWaalsContact O-N 3.15Å | ||
| 28 | S | 50.7 | Low | 50.1 | Low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | trans | -121.5 | 76.1 | 158.5 | 50.9 | 0 | 0 | 0 | 0 | 107.9 | P26 P30 | P26-S28 PolarHBondContact O-N 3.31Å; S28-P30 WeakPolarHBondContact O-CD 3.41Å | ||
| 29 | F | 42.5 | Very low | 49.7 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 57% | 0.57 | 70% | 0.698 | S | S | * | * | trans | -70.6 | 123.3 | 160 | -87.6 | -91.6 | 0 | 0 | 0 | 107.2 | G31 | F29-G31 PolarHBondContact O-N 3.47Š| ||
| 30 | P | 46.5 | Very low | 49.7 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | trans | -63.7 | 132.4 | 167.8 | -11.3 | 25.5 | 0 | 0 | 0 | 108.2 | S28 W32 | S28-P30 WeakPolarHBondContact O-CD 3.41Å; P30-W32 PolarHBondContact O-N 2.7Å | ||
| 31 | G | 49.6 | Very low | 49.9 | Very low | 75 Ų | 75 | 113.9 Ų | 113.9 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -67.4 | 32.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F29 | F29-G31 PolarHBondContact O-N 3.47Š|
| 32 | W | 51.4 | Low | 50.2 | Low | 164 Ų | 164 | 113.9 Ų | 113.9 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -88 | -11 | -178.8 | -175.5 | 43.3 | 0 | 0 | 0 | 113.9 | P30 | P30-W32 PolarHBondContact O-N 2.7Š|
| 33 | L | 45.8 | Very low | 50.6 | Low | 140 Ų | 140 | 116.2 Ų | 116.2 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -95.5 | 18.9 | 180 | -75.8 | 166.1 | 0 | 0 | 0 | 113.8 | ||
| 34 | D | 46.9 | Very low | 50.9 | Low | 129 Ų | 129 | 112.8 Ų | 112.8 | 69% | 0.69 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -80.1 | 132.7 | 158.5 | -85.6 | -16.4 | 0 | 0 | 0 | 108.6 | T36 | D34-T36 PolarHBondContact O-N 3.44Š|
| 35 | G | 49.2 | Very low | 51.5 | Low | 58 Ų | 58 | 114.1 Ų | 114.1 | 60% | 0.598 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 5.9 | -157.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | S37 | G35-S37 VanDerWaalsContact C-N 3.32Å; G35-S37 PolarHBondContact O-N 3.26Å |
| 36 | T | 51.5 | Low | 52.4 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.9 | -26.5 | 177 | -29.6 | 0 | 0 | 0 | 0 | 112.8 | D34 R38 Q40 | D34-T36 PolarHBondContact O-N 3.44Å; T36-R38 PolarHBondContact O-N 3.01Å; T36-Q40 PolarHBondContact O-N 3.43Å |
| 37 | S | 50.6 | Low | 53.3 | Low | 24 Ų | 24 | 110.3 Ų | 110.3 | 17% | 0.168 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -68.1 | -32.4 | -178 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | G35 Q40 T41 | G35-S37 VanDerWaalsContact C-N 3.32Å; G35-S37 PolarHBondContact O-N 3.26Å; S37-Q40 PolarHBondContact O-N 3.45Å; S37-T41 WeakPolarHBondContact O-CG2 3.27Å; S37-T41 PolarHBondContact O-N 2.95Å; S37-T41 PolarHBondContact O-OG1 2.89Å; S37-T41 VanDerWaalsContact O-OG1 3.07Å |
| 38 | R | 50.7 | Low | 53.6 | Low | 197 Ų | 197 | 101.7 Ų | 101.7 | 74% | 0.743 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.9 | -36.5 | -174.9 | -141.2 | -172.4 | -64.1 | -99.8 | 3.3 | 112.9 | T36 T41 Q42 | T36-R38 PolarHBondContact O-N 3.01Å; R38-T41 PolarHBondContact O-OG1 3.48Å; R38-Q42 PolarHBondContact O-N 3.11Å |
| 39 | L | 51.3 | Low | 54.3 | Low | 130 Ų | 130 | 102.9 Ų | 102.9 | 68% | 0.681 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.8 | -36 | 174.1 | -71 | 170.8 | 0 | 0 | 0 | 111.3 | Q43 | L39-Q43 PolarHBondContact O-N 2.94Å; L39-Q43 VanDerWaalsContact O-N 3.13Å |
| 40 | Q | 53.4 | Low | 55.2 | Low | 62 Ų | 62 | 105.2 Ų | 105.2 | 29% | 0.29 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.6 | -45.1 | 178.9 | -165.3 | 169.8 | 53.2 | 0 | 0 | 111.3 | T36 S37 Q42 Q43 V44 | T36-Q40 PolarHBondContact O-N 3.43Å; S37-Q40 PolarHBondContact O-N 3.45Å; Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.35Å; Q40-Q43 PolarHBondContact O-N 2.89Å; Q40-V44 HydrophobicContact CG-CG2 4.45Å; Q40-V44 WeakPolarHBondContact O-CG2 3.4Å; Q40-V44 PolarHBondContact O-N 3.41Å |
| 41 | T | 58.3 | Low | 55.6 | Low | 58 Ų | 58 | 101.3 Ų | 101.3 | 36% | 0.356 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 175.9 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | S37 R38 Q43 V44 D45 | S37-T41 WeakPolarHBondContact O-CG2 3.27Å; S37-T41 PolarHBondContact O-N 2.95Å; S37-T41 PolarHBondContact O-OG1 2.89Å; S37-T41 VanDerWaalsContact O-OG1 3.07Å; R38-T41 PolarHBondContact O-OG1 3.48Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 3.39Å; T41-V44 PolarHBondContact O-N 3.4Å; T41-D45 WeakPolarHBondContact O-CB 3.33Å; T41-D45 VanDerWaalsContact O-CG 3.26Å; T41-D45 PolarHBondContact O-N 3.11Å |
| 42 | Q | 58.1 | Low | 55.9 | Low | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65 | -37.5 | 178.7 | -162.6 | 177.8 | -7.1 | 0 | 0 | 112.2 | R38 Q40 D46 | R38-Q42 PolarHBondContact O-N 3.11Å; Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.35Å; Q42-D46 PolarHBondContact O-N 3.45Å |
| 43 | Q | 57.6 | Low | 56.2 | Low | 136 Ų | 136 | 99 Ų | 99 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.3 | -36.6 | 174 | -170.2 | -179.3 | 29.8 | 0 | 0 | 112.5 | L39 Q40 T41 V47 | L39-Q43 PolarHBondContact O-N 2.94Å; L39-Q43 VanDerWaalsContact O-N 3.13Å; Q40-Q43 PolarHBondContact O-N 2.89Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 3.39Å; Q43-V47 VanDerWaalsContact O-CG2 3.28Å; Q43-V47 WeakPolarHBondContact O-CG2 3.4Å; Q43-V47 PolarHBondContact O-N 3.49Å |
| 44 | V | 62.4 | Low | 56.7 | Low | 37 Ų | 37 | 98.3 Ų | 98.3 | 22% | 0.224 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 177.8 | -155.1 | 0 | 0 | 0 | 0 | 110.4 | Q40 T41 V47 L48 L68 | Q40-V44 HydrophobicContact CG-CG2 4.45Å; Q40-V44 WeakPolarHBondContact O-CG2 3.4Å; Q40-V44 PolarHBondContact O-N 3.41Å; T41-V44 PolarHBondContact O-N 3.4Å; V44-V47 PolarHBondContact O-N 3.32Å; V44-L48 HydrophobicContact CG1-CD1 3.95Å; V44-L48 HydrophobicContact CG1-CG 4.25Å; V44-L48 WeakPolarHBondContact O-CB 3.36Å; V44-L48 VanDerWaalsContact O-CG 3.23Å; V44-L48 WeakPolarHBondContact O-CG 3.46Å; V44-L48 PolarHBondContact O-N 3.3Å; V44-L68 HydrophobicContact CG1-CD1 3.98Å |
| 45 | D | 62 | Low | 57.1 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 179.5 | -71 | -24.2 | 0 | 0 | 0 | 111.9 | T41 V47 L48 L49 | T41-D45 WeakPolarHBondContact O-CB 3.33Å; T41-D45 VanDerWaalsContact O-CG 3.26Å; T41-D45 PolarHBondContact O-N 3.11Å; D45-V47 PolarHBondContact O-N 3.43Å; D45-L48 PolarHBondContact O-N 2.89Å; D45-L49 VanDerWaalsContact O-CB 3.26Å; D45-L49 WeakPolarHBondContact O-CB 3.35Å; D45-L49 PolarHBondContact O-N 3.19Å |
| 46 | D | 63.8 | Low | 57.4 | Low | 104 Ų | 104 | 98.3 Ų | 98.3 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -36.3 | 176.7 | -82 | -19.9 | 0 | 0 | 0 | 112.8 | Q42 R50 | Q42-D46 PolarHBondContact O-N 3.45Å; D46-R50 WeakPolarHBondContact O-CB 3.35Å; D46-R50 PolarHBondContact O-N 3.19Å; D46-R50 VanDerWaalsContact O-N 3.11Å |
| 47 | V | 62.1 | Low | 57.5 | Low | 91 Ų | 91 | 94 Ų | 94 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.5 | -39 | 178 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | Q43 V44 D45 R50 A51 | Q43-V47 VanDerWaalsContact O-CG2 3.28Å; Q43-V47 WeakPolarHBondContact O-CG2 3.4Å; Q43-V47 PolarHBondContact O-N 3.49Å; V44-V47 PolarHBondContact O-N 3.32Å; D45-V47 PolarHBondContact O-N 3.43Å; V47-R50 PolarHBondContact O-N 3.13Å; V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 2.95Å |
| 48 | L | 61.8 | Low | 57.6 | Low | 65 Ų | 65 | 97.8 Ų | 97.8 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.2 | -73.6 | 171.3 | 0 | 0 | 0 | 111.7 | V44 D45 R50 A51 A52 V61 | V44-L48 HydrophobicContact CG1-CD1 3.95Å; V44-L48 HydrophobicContact CG1-CG 4.25Å; V44-L48 WeakPolarHBondContact O-CB 3.36Å; V44-L48 VanDerWaalsContact O-CG 3.23Å; V44-L48 WeakPolarHBondContact O-CG 3.46Å; V44-L48 PolarHBondContact O-N 3.3Å; D45-L48 PolarHBondContact O-N 2.89Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.4Å; L48-A51 PolarHBondContact O-N 3.35Å; L48-A52 VanDerWaalsContact O-CB 3.27Å; L48-A52 WeakPolarHBondContact O-CB 3.49Å; L48-A52 PolarHBondContact O-N 3.03Å; L48-V61 HydrophobicContact CD2-CG1 3.68Å |
| 49 | L | 64.4 | Low | 57.9 | Low | 123 Ų | 123 | 94.9 Ų | 94.9 | 64% | 0.644 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63 | -38 | 176.2 | -160.9 | 76.5 | 0 | 0 | 0 | 111 | D45 T53 | D45-L49 VanDerWaalsContact O-CB 3.26Å; D45-L49 WeakPolarHBondContact O-CB 3.35Å; D45-L49 PolarHBondContact O-N 3.19Å; L49-T53 WeakPolarHBondContact O-CG2 3.28Å; L49-T53 PolarHBondContact O-N 3.38Å |
| 50 | R | 61.1 | Low | 58.1 | Low | 180 Ų | 180 | 94 Ų | 94 | 68% | 0.679 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.1 | -41.5 | 177.1 | -166.4 | 163.4 | -175 | 164.7 | 0.6 | 113 | D46 V47 L48 A52 T53 E54 | D46-R50 WeakPolarHBondContact O-CB 3.35Å; D46-R50 PolarHBondContact O-N 3.19Å; D46-R50 VanDerWaalsContact O-N 3.11Å; V47-R50 PolarHBondContact O-N 3.13Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.4Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.12Å; R50-T53 PolarHBondContact O-N 3.11Å; R50-T53 PolarHBondContact O-OG1 3.1Å; R50-E54 PolarHBondContact O-N 2.66Å |
| 51 | A | 55.4 | Low | 58.4 | Low | 21 Ų | 21 | 92.8 Ų | 92.8 | 17% | 0.174 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -68.4 | -31.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V47 L48 T53 E54 A57 V61 | V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 2.95Å; L48-A51 PolarHBondContact O-N 3.35Å; A51-T53 VanDerWaalsContact C-N 3.29Å; A51-T53 PolarHBondContact O-N 3.45Å; A51-E54 CarbonylContact O-C 3.48Å; A51-E54 PolarHBondContact O-N 3.33Å; A51-E54 VanDerWaalsContact O-O 3.07Å; A51-A57 HydrophobicContact CB-CB 4.35Å; A51-V61 HydrophobicContact CB-CG2 3.45Å; A51-V61 VanDerWaalsContact CB-CG2 3.45Å |
| 52 | A | 56.5 | Low | 58.6 | Low | 79 Ų | 79 | 91.4 Ų | 91.4 | 65% | 0.653 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.7 | -27.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L48 R50 | L48-A52 VanDerWaalsContact O-CB 3.27Å; L48-A52 WeakPolarHBondContact O-CB 3.49Å; L48-A52 PolarHBondContact O-N 3.03Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.12Å |
| 53 | T | 57.8 | Low | 58.8 | Low | 111 Ų | 111 | 90.7 Ų | 90.7 | 68% | 0.681 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.3 | -23.9 | 176 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | L49 R50 A51 | L49-T53 WeakPolarHBondContact O-CG2 3.28Å; L49-T53 PolarHBondContact O-N 3.38Å; R50-T53 PolarHBondContact O-N 3.11Å; R50-T53 PolarHBondContact O-OG1 3.1Å; A51-T53 VanDerWaalsContact C-N 3.29Å; A51-T53 PolarHBondContact O-N 3.45Å |
| 54 | E | 56.2 | Low | 59.3 | Low | 127 Ų | 127 | 89.1 Ų | 89.1 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -101.1 | 79.3 | 175.7 | -66.6 | 179.1 | -174.4 | 0 | 0 | 107.8 | R50 A51 A56 A57 | R50-E54 PolarHBondContact O-N 2.66Å; A51-E54 CarbonylContact O-C 3.48Å; A51-E54 PolarHBondContact O-N 3.33Å; A51-E54 VanDerWaalsContact O-O 3.07Å; E54-A56 PolarHBondContact O-N 3.49Å; E54-A57 PolarHBondContact O-N 2.9Å |
| 55 | G | 55.3 | Low | 59.6 | Low | 84 Ų | 84 | 91.2 Ų | 91.2 | 87% | 0.866 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 23.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 56 | A | 54.4 | Low | 59.7 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 84% | 0.843 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 4.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E54 | E54-A56 PolarHBondContact O-N 3.49Š|
| 57 | A | 53.2 | Low | 59.8 | Low | 18 Ų | 18 | 94.9 Ų | 94.9 | 15% | 0.149 | 54% | 0.544 | C | S | . | . | trans | -107.7 | 19.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A51 E54 D59 L60 V61 | A51-A57 HydrophobicContact CB-CB 4.35Å; E54-A57 PolarHBondContact O-N 2.9Å; A57-D59 VanDerWaalsContact C-N 3.28Å; A57-D59 PolarHBondContact O-N 3.3Å; A57-L60 HydrophobicContact CB-CB 4.48Å; A57-L60 PolarHBondContact O-N 2.93Å; A57-V61 HydrophobicContact CB-CG2 4.07Å; A57-V61 WeakPolarHBondContact O-CB 3.47Å; A57-V61 WeakPolarHBondContact O-CG2 3.39Å; A57-V61 PolarHBondContact O-N 3.39Å | ||
| 58 | S | 54.6 | Low | 60 | Low | 105 Ų | 105 | 93 Ų | 93 | 73% | 0.734 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.5 | -39 | 179.5 | -166 | 0 | 0 | 0 | 0 | 112.2 | G62 | S58-G62 PolarHBondContact O-N 2.96Å; S58-G62 VanDerWaalsContact O-N 3.12Å |
| 59 | D | 55.4 | Low | 60.1 | Low | 136 Ų | 136 | 94.6 Ų | 94.6 | 73% | 0.727 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -76.1 | -40.7 | 179.4 | -62.4 | -17 | 0 | 0 | 0 | 111.3 | A57 G62 D63 | A57-D59 VanDerWaalsContact C-N 3.28Å; A57-D59 PolarHBondContact O-N 3.3Å; D59-G62 PolarHBondContact O-N 3.07Å; D59-D63 PolarHBondContact O-N 3.27Å |
| 60 | L | 55.8 | Low | 60.1 | Low | 110 Ų | 110 | 94.3 Ų | 94.3 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.8 | -34.4 | -179.5 | -152 | 108 | 0 | 0 | 0 | 112.7 | A57 H64 | A57-L60 HydrophobicContact CB-CB 4.48Å; A57-L60 PolarHBondContact O-N 2.93Å; L60-H64 PolarHBondContact O-CD2 2.9Å; L60-H64 VanDerWaalsContact O-CD2 3.27Å; L60-H64 PolarHBondContact O-N 3.45Å; L60-H64 VanDerWaalsContact O-N 3.13Å |
| 61 | V | 60.8 | Low | 60 | Low | 37 Ų | 37 | 95.2 Ų | 95.2 | 22% | 0.224 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 172.9 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | L48 A51 A57 H64 L65 | L48-V61 HydrophobicContact CD2-CG1 3.68Å; A51-V61 HydrophobicContact CB-CG2 3.45Å; A51-V61 VanDerWaalsContact CB-CG2 3.45Å; A57-V61 HydrophobicContact CB-CG2 4.07Å; A57-V61 WeakPolarHBondContact O-CB 3.47Å; A57-V61 WeakPolarHBondContact O-CG2 3.39Å; A57-V61 PolarHBondContact O-N 3.39Å; V61-H64 PolarHBondContact O-N 3.16Å; V61-L65 HydrophobicContact CG1-CD1 4.07Å; V61-L65 WeakPolarHBondContact O-CB 3.37Å; V61-L65 PolarHBondContact O-N 2.9Å |
| 62 | G | 61.3 | Low | 60 | Low | 29 Ų | 29 | 100.1 Ų | 100.1 | 30% | 0.299 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56.1 | -50.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S58 D59 H64 L65 L66 | S58-G62 PolarHBondContact O-N 2.96Å; S58-G62 VanDerWaalsContact O-N 3.12Å; D59-G62 PolarHBondContact O-N 3.07Å; G62-H64 VanDerWaalsContact C-N 3.34Å; G62-H64 PolarHBondContact O-N 2.89Å; G62-L65 PolarHBondContact O-N 2.91Å; G62-L66 WeakPolarHBondContact O-CB 3.5Å; G62-L66 VanDerWaalsContact O-CG 3.29Å; G62-L66 WeakPolarHBondContact O-CG 3.26Å; G62-L66 PolarHBondContact O-N 2.97Å |
| 63 | D | 64 | Low | 60 | Low | 107 Ų | 107 | 99.5 Ų | 99.5 | 57% | 0.572 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 178.6 | -72.3 | -17.9 | 0 | 0 | 0 | 112.6 | D59 R67 | D59-D63 PolarHBondContact O-N 3.27Å; D63-R67 VanDerWaalsContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CB 3.28Å; D63-R67 PolarHBondContact O-N 3.18Å |
| 64 | H | 66.5 | Low | 59.9 | Low | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 177.4 | -86.5 | -60.2 | 0 | 0 | 0 | 113.2 | L60 V61 G62 R67 L68 | L60-H64 PolarHBondContact O-CD2 2.9Å; L60-H64 VanDerWaalsContact O-CD2 3.27Å; L60-H64 PolarHBondContact O-N 3.45Å; L60-H64 VanDerWaalsContact O-N 3.13Å; V61-H64 PolarHBondContact O-N 3.16Å; G62-H64 VanDerWaalsContact C-N 3.34Å; G62-H64 PolarHBondContact O-N 2.89Å; H64-R67 PolarHBondContact O-N 3.42Å; H64-L68 WeakPolarHBondContact O-CB 3.42Å; H64-L68 WeakPolarHBondContact O-CG 3.23Å; H64-L68 PolarHBondContact O-N 3.02Å |
| 65 | L | 68.9 | Low | 59.7 | Low | 82 Ų | 82 | 97.3 Ų | 97.3 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 173.3 | -99.1 | 157.4 | 0 | 0 | 0 | 111.2 | V61 G62 R67 L68 L69 | V61-L65 HydrophobicContact CG1-CD1 4.07Å; V61-L65 WeakPolarHBondContact O-CB 3.37Å; V61-L65 PolarHBondContact O-N 2.9Å; G62-L65 PolarHBondContact O-N 2.91Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.39Å; L65-L68 PolarHBondContact O-N 3.07Å; L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.36Å |
| 66 | L | 64.2 | Low | 59.3 | Low | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 176.3 | -72 | 173.8 | 0 | 0 | 0 | 111.1 | G62 L68 L69 Q70 | G62-L66 WeakPolarHBondContact O-CB 3.5Å; G62-L66 VanDerWaalsContact O-CG 3.29Å; G62-L66 WeakPolarHBondContact O-CG 3.26Å; G62-L66 PolarHBondContact O-N 2.97Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.91Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-Q70 VanDerWaalsContact O-CB 3.31Å; L66-Q70 WeakPolarHBondContact O-CB 3.28Å; L66-Q70 PolarHBondContact O-N 2.7Å |
| 67 | R | 66.6 | Low | 59.1 | Low | 179 Ų | 179 | 99.8 Ų | 99.8 | 68% | 0.675 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.6 | -35.1 | 177.4 | -155.3 | 176.6 | -155.3 | 153.6 | 5.4 | 113 | D63 H64 L65 R71 | D63-R67 VanDerWaalsContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CB 3.28Å; D63-R67 PolarHBondContact O-N 3.18Å; H64-R67 PolarHBondContact O-N 3.42Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.39Å; R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.37Å; R67-R71 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 66.9 | Low | 58.9 | Low | 51 Ų | 51 | 105.1 Ų | 105.1 | 27% | 0.267 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 175.4 | -81.8 | 164.5 | 0 | 0 | 0 | 112.2 | V44 H64 L65 L66 R72 | V44-L68 HydrophobicContact CG1-CD1 3.98Å; H64-L68 WeakPolarHBondContact O-CB 3.42Å; H64-L68 WeakPolarHBondContact O-CG 3.23Å; H64-L68 PolarHBondContact O-N 3.02Å; L65-L68 PolarHBondContact O-N 3.07Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.91Å; L68-R72 WeakPolarHBondContact O-CG 3.33Å; L68-R72 PolarHBondContact O-N 3.37Å |
| 69 | L | 63.9 | Low | 58.7 | Low | 99 Ų | 99 | 107.8 Ų | 107.8 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 174.4 | -69.1 | 170 | 0 | 0 | 0 | 110.9 | L65 L66 R71 R72 D73 | L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.36Å; L66-L69 PolarHBondContact O-N 3.46Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 3.01Å; L69-R72 PolarHBondContact O-N 3.26Å; L69-D73 PolarHBondContact O-N 3.49Å |
| 70 | Q | 63.2 | Low | 58.4 | Low | 117 Ų | 117 | 108 Ų | 108 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 176.9 | -170.5 | 166.6 | 44 | 0 | 0 | 113.1 | L66 R72 L77 | L66-Q70 VanDerWaalsContact O-CB 3.31Å; L66-Q70 WeakPolarHBondContact O-CB 3.28Å; L66-Q70 PolarHBondContact O-N 2.7Å; Q70-R72 VanDerWaalsContact C-N 3.32Å; Q70-L77 HydrophobicContact CB-CD1 3.35Å; Q70-L77 HydrophobicContact CG-CD1 3.59Å |
| 71 | R | 59.9 | Low | 58.2 | Low | 199 Ų | 199 | 108.4 Ų | 108.4 | 75% | 0.751 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.4 | -25.1 | 174.1 | -169.1 | 176.2 | -177.8 | -159.2 | 1.2 | 113.2 | R67 L69 | R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.37Å; R67-R71 VanDerWaalsContact O-N 3.08Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 3.01Å |
| 72 | R | 55.7 | Low | 57.5 | Low | 125 Ų | 125 | 110.4 Ų | 110.4 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -90.6 | -25.4 | -176.9 | -83.3 | -165.6 | 166.3 | 146.6 | 2.3 | 113.8 | L68 L69 Q70 | L68-R72 WeakPolarHBondContact O-CG 3.33Å; L68-R72 PolarHBondContact O-N 3.37Å; L69-R72 PolarHBondContact O-N 3.26Å; Q70-R72 VanDerWaalsContact C-N 3.32Å |
| 73 | D | 54.9 | Low | 56.8 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 35% | 0.348 | 56% | 0.56 | S | S | . | * | trans | -156.3 | 78.5 | -176.3 | -140.5 | -24.5 | 0 | 0 | 0 | 110.5 | L69 D75 R76 | L69-D73 PolarHBondContact O-N 3.49Å; D73-D75 PolarHBondContact O-N 3.33Å; D73-R76 HydrophobicContact CB-CB 4.29Å; D73-R76 PolarHBondContact O-N 3.24Å; D73-R76 WeakPolarHBondContact OD2-CD 2.96Å | ||
| 74 | P | 56.1 | Low | 56.2 | Low | 66 Ų | 66 | 117.9 Ų | 117.9 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -36 | -178.8 | 25 | -32.5 | 0 | 0 | 0 | 111.4 | R76 L77 H78 | P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.01Å; P74-L77 PolarHBondContact O-N 3.44Å; P74-H78 PolarHBondContact O-CD2 3.46Å; P74-H78 PolarHBondContact O-N 3.33Å |
| 75 | D | 51.4 | Low | 55.1 | Low | 127 Ų | 127 | 120.6 Ų | 120.6 | 68% | 0.679 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.4 | -23.2 | -174.9 | -63.6 | -24.8 | 0 | 0 | 0 | 113.3 | D73 | D73-D75 PolarHBondContact O-N 3.33Å |
| 76 | R | 48.7 | Very low | 54.3 | Low | 183 Ų | 183 | 120.7 Ų | 120.7 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -82.9 | -25.8 | 176.8 | -88.8 | -173.5 | 148.6 | 167.9 | -7.1 | 114.3 | D73 P74 L79 | D73-R76 HydrophobicContact CB-CB 4.29Å; D73-R76 PolarHBondContact O-N 3.24Å; D73-R76 WeakPolarHBondContact OD2-CD 2.96Å; P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.01Å; R76-L79 PolarHBondContact O-N 2.69Å |
| 77 | L | 48.8 | Very low | 53.5 | Low | 54 Ų | 54 | 118.1 Ų | 118.1 | 28% | 0.283 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -79.6 | -26.5 | 176.9 | -69.8 | 177.3 | 0 | 0 | 0 | 112.3 | Q70 P74 L79 L80 L81 | Q70-L77 HydrophobicContact CB-CD1 3.35Å; Q70-L77 HydrophobicContact CG-CD1 3.59Å; P74-L77 PolarHBondContact O-N 3.44Å; L77-L79 PolarHBondContact O-N 2.97Å; L77-L80 PolarHBondContact O-N 3.42Å; L77-L81 PolarHBondContact O-N 2.91Å; L77-L81 VanDerWaalsContact O-N 3.16Å |
| 78 | H | 49.2 | Very low | 52.7 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 61% | 0.606 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -19.9 | 170 | -72 | -62.8 | 0 | 0 | 0 | 113.4 | P74 | P74-H78 PolarHBondContact O-CD2 3.46Å; P74-H78 PolarHBondContact O-N 3.33Å |
| 79 | L | 50.6 | Low | 52 | Low | 160 Ų | 160 | 124.3 Ų | 124.3 | 84% | 0.838 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -10.4 | 174.7 | -137.4 | 98 | 0 | 0 | 0 | 113.7 | R76 L77 | R76-L79 PolarHBondContact O-N 2.69Å; L77-L79 PolarHBondContact O-N 2.97Å |
| 80 | L | 49.1 | Very low | 51.3 | Low | 140 Ų | 140 | 126.5 Ų | 126.5 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -16.5 | -176.1 | -89.6 | 160.6 | 0 | 0 | 0 | 113.2 | L77 | L77-L80 PolarHBondContact O-N 3.42Š|
| 81 | L | 51.1 | Low | 50.8 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | trans | -136.4 | 99.6 | 175.6 | -150.3 | 68.8 | 0 | 0 | 0 | 109 | L77 E83 | L77-L81 PolarHBondContact O-N 2.91Å; L77-L81 VanDerWaalsContact O-N 3.16Å; L81-E83 PolarHBondContact O-N 3.45Å | ||
| 82 | P | 46.2 | Very low | 50.3 | Low | 79 Ų | 79 | 120.6 Ų | 120.6 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | trans | -69 | 116.7 | 169.8 | 27.8 | -27 | 0 | 0 | 0 | 107.1 | V84 E91 | P82-V84 PolarHBondContact O-N 2.97Å; P82-E91 WeakPolarHBondContact CG-OE1 3.37Å | ||
| 83 | E | 46.1 | Very low | 50.2 | Low | 165 Ų | 165 | 121.3 Ų | 121.3 | 77% | 0.771 | 64% | 0.637 | S | S | * | * | trans | -61.6 | 121.6 | 164.3 | -73.2 | -74.6 | 146.6 | 0 | 0 | 107.2 | L81 D85 | L81-E83 PolarHBondContact O-N 3.45Å; E83-D85 PolarHBondContact O-N 2.95Å | ||
| 84 | V | 51.4 | Low | 50.3 | Low | 128 Ų | 128 | 120.7 Ų | 120.7 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | trans | -56.3 | 113 | 177.8 | -180 | 0 | 0 | 0 | 0 | 108.7 | P82 | P82-V84 PolarHBondContact O-N 2.97Š| ||
| 85 | D | 45.1 | Very low | 50.4 | Low | 161 Ų | 161 | 122.1 Ų | 122.1 | 86% | 0.861 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -177.1 | 99.8 | 139.1 | -91 | -25.2 | 0 | 0 | 0 | 110.8 | E83 | E83-D85 PolarHBondContact O-N 2.95Š|
| 86 | G | 51.1 | Low | 50.6 | Low | 83 Ų | 83 | 122.9 Ų | 122.9 | 86% | 0.856 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 103.8 | 27.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||
| 87 | A | 47.2 | Very low | 51 | Low | 50 Ų | 50 | 117.5 Ų | 117.5 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | trans | -148.1 | 63.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E89 E90 E91 | A87-E89 PolarHBondContact O-N 2.99Å; A87-E90 HydrophobicContact CB-CB 4.42Å; A87-E90 PolarHBondContact O-N 3.01Å; A87-E91 PolarHBondContact O-N 3.31Å | ||
| 88 | E | 50.6 | Low | 51.4 | Low | 180 Ų | 180 | 116.9 Ų | 116.9 | 84% | 0.841 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -8.2 | 179.9 | -62.2 | -177.2 | 177.4 | 0 | 0 | 114.4 | ||
| 89 | E | 51.1 | Low | 51.8 | Low | 180 Ų | 180 | 114.6 Ų | 114.6 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -24.3 | 176.8 | -65.5 | -172.7 | 174.8 | 0 | 0 | 113.9 | A87 | A87-E89 PolarHBondContact O-N 2.99Š|
| 90 | E | 50.7 | Low | 52.1 | Low | 145 Ų | 145 | 113.2 Ų | 113.2 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -29.6 | 176.3 | -89.9 | -173.7 | 163.2 | 0 | 0 | 112.6 | A87 D92 E93 A94 | A87-E90 HydrophobicContact CB-CB 4.42Å; A87-E90 PolarHBondContact O-N 3.01Å; E90-D92 VanDerWaalsContact C-N 3.25Å; E90-D92 PolarHBondContact O-N 3.34Å; E90-E93 PolarHBondContact O-N 3.12Å; E90-A94 VanDerWaalsContact O-CB 3.32Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.85Å |
| 91 | E | 51.2 | Low | 52.6 | Low | 108 Ų | 108 | 111.7 Ų | 111.7 | 51% | 0.505 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60 | -36 | 175.5 | -97 | -173.8 | 155.1 | 0 | 0 | 112.1 | P82 A87 E93 A94 L95 | P82-E91 WeakPolarHBondContact CG-OE1 3.37Å; A87-E91 PolarHBondContact O-N 3.31Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 2.95Å; E91-A94 PolarHBondContact O-N 3.37Å; E91-L95 WeakPolarHBondContact O-CA 3.25Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 PolarHBondContact O-N 3.44Å |
| 92 | D | 50.8 | Low | 52.8 | Low | 83 Ų | 83 | 111.3 Ų | 111.3 | 44% | 0.444 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.5 | -30 | -177.9 | -130.2 | 41.5 | 0 | 0 | 0 | 112 | E90 R96 | E90-D92 VanDerWaalsContact C-N 3.25Å; E90-D92 PolarHBondContact O-N 3.34Å; D92-R96 WeakPolarHBondContact O-CB 3.06Å; D92-R96 WeakPolarHBondContact O-CD 3.39Å; D92-R96 WeakPolarHBondContact O-CG 3.43Å; D92-R96 PolarHBondContact O-N 3.38Å; D92-R96 IonicContact OD2-CZ 3.74Å; D92-R96 IonicContact OD2-NH2 2.85Å; D92-R96 PolarHBondContact OD2-NH2 2.95Å |
| 93 | E | 53.6 | Low | 53.2 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 65% | 0.654 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.6 | -37.6 | 176 | -152.9 | 172.7 | -156.4 | 0 | 0 | 111.4 | E90 E91 R96 T97 | E90-E93 PolarHBondContact O-N 3.12Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 2.95Å; E93-R96 PolarHBondContact O-N 3.33Å; E93-T97 WeakPolarHBondContact O-CG2 3.19Å; E93-T97 PolarHBondContact O-N 3.33Å; E93-T97 PolarHBondContact O-OG1 3.38Å |
| 94 | A | 56.1 | Low | 53.4 | Low | 52 Ų | 52 | 114.9 Ų | 114.9 | 43% | 0.43 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E90 E91 T97 A98 | E90-A94 VanDerWaalsContact O-CB 3.32Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.85Å; E91-A94 PolarHBondContact O-N 3.37Å; A94-T97 VanDerWaalsContact CA-OG1 3.29Å; A94-T97 WeakPolarHBondContact CA-OG1 3.31Å; A94-T97 PolarHBondContact O-N 3.03Å; A94-T97 PolarHBondContact O-OG1 2.87Å; A94-A98 VanDerWaalsContact O-CB 3.23Å; A94-A98 WeakPolarHBondContact O-CB 3.47Å; A94-A98 PolarHBondContact O-N 2.87Å |
| 95 | L | 58 | Low | 53.5 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.1 | -41.8 | 175.1 | -169.9 | 70.9 | 0 | 0 | 0 | 110.4 | E91 T97 A98 E99 | E91-L95 WeakPolarHBondContact O-CA 3.25Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 PolarHBondContact O-N 3.44Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3.21Å; L95-A98 PolarHBondContact O-N 2.94Å; L95-E99 VanDerWaalsContact O-CB 3.24Å; L95-E99 WeakPolarHBondContact O-CB 3.32Å; L95-E99 WeakPolarHBondContact O-CG 3.35Å; L95-E99 PolarHBondContact O-N 3.4Å |
| 96 | R | 56 | Low | 53.8 | Low | 142 Ų | 142 | 112.3 Ų | 112.3 | 54% | 0.536 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -35.4 | 174.2 | -74.6 | 173.3 | -159.7 | 173 | 12.5 | 112.9 | D92 E93 Q100 | D92-R96 WeakPolarHBondContact O-CB 3.06Å; D92-R96 WeakPolarHBondContact O-CD 3.39Å; D92-R96 WeakPolarHBondContact O-CG 3.43Å; D92-R96 PolarHBondContact O-N 3.38Å; D92-R96 IonicContact OD2-CZ 3.74Å; D92-R96 IonicContact OD2-NH2 2.85Å; D92-R96 PolarHBondContact OD2-NH2 2.95Å; E93-R96 PolarHBondContact O-N 3.33Å; R96-Q100 WeakPolarHBondContact O-CB 3.48Å; R96-Q100 WeakPolarHBondContact O-CG 3.29Å; R96-Q100 PolarHBondContact O-N 3.27Å |
| 97 | T | 57.6 | Low | 54 | Low | 70 Ų | 70 | 115.1 Ų | 115.1 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.7 | -37.3 | 175.3 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | E93 A94 L95 Q100 L101 | E93-T97 WeakPolarHBondContact O-CG2 3.19Å; E93-T97 PolarHBondContact O-N 3.33Å; E93-T97 PolarHBondContact O-OG1 3.38Å; A94-T97 VanDerWaalsContact CA-OG1 3.29Å; A94-T97 WeakPolarHBondContact CA-OG1 3.31Å; A94-T97 PolarHBondContact O-N 3.03Å; A94-T97 PolarHBondContact O-OG1 2.87Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3.21Å; T97-Q100 PolarHBondContact O-N 3.13Å; T97-L101 WeakPolarHBondContact O-CB 3.42Å; T97-L101 WeakPolarHBondContact O-CG 3.13Å; T97-L101 PolarHBondContact O-N 2.87Å |
| 98 | A | 57.5 | Low | 54.6 | Low | 41 Ų | 41 | 117.2 Ų | 117.2 | 34% | 0.339 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.7 | -41.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A94 L95 L101 L102 | A94-A98 VanDerWaalsContact O-CB 3.23Å; A94-A98 WeakPolarHBondContact O-CB 3.47Å; A94-A98 PolarHBondContact O-N 2.87Å; L95-A98 PolarHBondContact O-N 2.94Å; A98-L101 PolarHBondContact O-N 3.48Å; A98-L102 VanDerWaalsContact O-CB 3.32Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 VanDerWaalsContact O-CG 3.27Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 2.92Å |
| 99 | E | 56.8 | Low | 54.7 | Low | 83 Ų | 83 | 112.8 Ų | 112.8 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -37.8 | 172.1 | -78.4 | -177.7 | -170.9 | 0 | 0 | 112 | L95 K103 | L95-E99 VanDerWaalsContact O-CB 3.24Å; L95-E99 WeakPolarHBondContact O-CB 3.32Å; L95-E99 WeakPolarHBondContact O-CG 3.35Å; L95-E99 PolarHBondContact O-N 3.4Å; E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.2Å; E99-K103 WeakPolarHBondContact O-CD 3.2Å; E99-K103 WeakPolarHBondContact O-CG 3.28Å; E99-K103 PolarHBondContact O-N 3.35Å; E99-K103 IonicContact OE2-NZ 3.91Å |
| 100 | Q | 57.9 | Low | 55.1 | Low | 131 Ų | 131 | 110.5 Ų | 110.5 | 61% | 0.612 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69 | -35.8 | 173.5 | -78.7 | 172.9 | 18.4 | 0 | 0 | 112.1 | R96 T97 R104 | R96-Q100 WeakPolarHBondContact O-CB 3.48Å; R96-Q100 WeakPolarHBondContact O-CG 3.29Å; R96-Q100 PolarHBondContact O-N 3.27Å; T97-Q100 PolarHBondContact O-N 3.13Å; Q100-R104 WeakPolarHBondContact O-CB 3.35Å; Q100-R104 PolarHBondContact O-N 3.1Å |
| 101 | L | 58.4 | Low | 55.6 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.5 | -37.6 | 173.8 | -75.9 | 171.3 | 0 | 0 | 0 | 112.1 | T97 A98 R104 S105 | T97-L101 WeakPolarHBondContact O-CB 3.42Å; T97-L101 WeakPolarHBondContact O-CG 3.13Å; T97-L101 PolarHBondContact O-N 2.87Å; A98-L101 PolarHBondContact O-N 3.48Å; L101-R104 CarbonylContact O-C 3.5Å; L101-R104 WeakPolarHBondContact O-CB 3.49Å; L101-R104 PolarHBondContact O-N 2.96Å; L101-S105 PolarHBondContact O-N 3.38Å |
| 102 | L | 55.2 | Low | 56.3 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.1 | -40.4 | 173.4 | -75.6 | 166.2 | 0 | 0 | 0 | 111.4 | A98 R104 S105 E106 | A98-L102 VanDerWaalsContact O-CB 3.32Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 VanDerWaalsContact O-CG 3.27Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 2.92Å; L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.35Å; L102-S105 WeakPolarHBondContact CA-OG 3.29Å; L102-S105 CarbonylContact O-C 3.51Å; L102-S105 WeakPolarHBondContact O-CA 3.09Å; L102-S105 WeakPolarHBondContact O-CB 3.31Å; L102-S105 PolarHBondContact O-N 2.97Å; L102-S105 PolarHBondContact O-OG 3.25Å; L102-E106 PolarHBondContact O-N 3.46Å; L102-E106 VanDerWaalsContact O-N 3.14Å |
| 103 | K | 54.5 | Low | 57.8 | Low | 127 Ų | 127 | 108.4 Ų | 108.4 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.1 | -28.8 | 169.8 | -76 | 167.1 | -179.3 | 160.5 | 0 | 112.3 | E99 S105 E106 | E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.2Å; E99-K103 WeakPolarHBondContact O-CD 3.2Å; E99-K103 WeakPolarHBondContact O-CG 3.28Å; E99-K103 PolarHBondContact O-N 3.35Å; E99-K103 IonicContact OE2-NZ 3.91Å; K103-S105 VanDerWaalsContact C-N 3.32Å; K103-E106 PolarHBondContact O-N 3.18Å |
| 104 | R | 51.1 | Low | 59.3 | Low | 192 Ų | 192 | 106.3 Ų | 106.3 | 73% | 0.725 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -77.3 | -16.5 | 169.5 | -133 | 178.5 | 75.7 | -174 | 2.8 | 113.4 | Q100 L101 L102 | Q100-R104 WeakPolarHBondContact O-CB 3.35Å; Q100-R104 PolarHBondContact O-N 3.1Å; L101-R104 CarbonylContact O-C 3.5Å; L101-R104 WeakPolarHBondContact O-CB 3.49Å; L101-R104 PolarHBondContact O-N 2.96Å; L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.35Å |
| 105 | S | 53.3 | Low | 60.8 | Low | 81 Ų | 81 | 108.1 Ų | 108.1 | 57% | 0.566 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -4.9 | 170.1 | 73.7 | 0 | 0 | 0 | 0 | 113.8 | L101 L102 K103 E107 | L101-S105 PolarHBondContact O-N 3.38Å; L102-S105 WeakPolarHBondContact CA-OG 3.29Å; L102-S105 CarbonylContact O-C 3.51Å; L102-S105 WeakPolarHBondContact O-CA 3.09Å; L102-S105 WeakPolarHBondContact O-CB 3.31Å; L102-S105 PolarHBondContact O-N 2.97Å; L102-S105 PolarHBondContact O-OG 3.25Å; K103-S105 VanDerWaalsContact C-N 3.32Å; S105-E107 PolarHBondContact O-N 3.35Å |
| 106 | E | 52.4 | Low | 62.1 | Low | 154 Ų | 154 | 109.4 Ų | 109.4 | 72% | 0.72 | 56% | 0.563 | S | S | * | * | trans | -78.8 | -5.6 | 170.7 | -68.6 | -171.6 | 170.7 | 0 | 0 | 112.5 | L102 K103 P108 | L102-E106 PolarHBondContact O-N 3.46Å; L102-E106 VanDerWaalsContact O-N 3.14Å; K103-E106 PolarHBondContact O-N 3.18Å; E106-P108 WeakPolarHBondContact O-CD 3.47Å | ||
| 107 | E | 54.1 | Low | 63.8 | Low | 143 Ų | 143 | 107.6 Ų | 107.6 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -74.3 | 109.8 | 168.2 | -140.2 | 163.9 | -148.4 | 0 | 0 | 107.8 | S105 | S105-E107 PolarHBondContact O-N 3.35Š|
| 108 | P | 59.2 | Low | 65.5 | Low | 94 Ų | 94 | 108.7 Ų | 108.7 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | trans | -56.4 | 146.8 | -176.4 | 23.4 | -32.5 | 0 | 0 | 0 | 109.1 | E106 L110 | E106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-L110 VanDerWaalsContact C-N 3.27Å; P108-L110 PolarHBondContact O-N 3.27Å | ||
| 109 | P | 54.4 | Low | 67.4 | Low | 86 Ų | 86 | 110.9 Ų | 110.9 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | trans | -64.5 | 89.1 | -176.2 | 27.7 | -34.5 | 0 | 0 | 0 | 109.8 | S111 I112 | P109-S111 PolarHBondContact O-N 2.83Å; P109-I112 HydrophobicContact CB-CG2 4.3Å; P109-I112 HydrophobicContact CG-CG2 4Å; P109-I112 PolarHBondContact O-N 3.47Å | ||
| 110 | L | 58.8 | Low | 69.2 | Low | 132 Ų | 132 | 114.9 Ų | 114.9 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -56.9 | -15.9 | 176 | -80.9 | 163 | 0 | 0 | 0 | 112 | P108 L114 | P108-L110 VanDerWaalsContact C-N 3.27Å; P108-L110 PolarHBondContact O-N 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.26Å |
| 111 | S | 60 | Low | 71 | Confident | 79 Ų | 79 | 111.3 Ų | 111.3 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -84.9 | -28.6 | -176.2 | 58.3 | 0 | 0 | 0 | 0 | 115 | P109 T115 | P109-S111 PolarHBondContact O-N 2.83Å; S111-T115 WeakPolarHBondContact O-CB 3.3Å; S111-T115 PolarHBondContact O-N 3.01Å; S111-T115 VanDerWaalsContact O-N 3.15Å; S111-T115 PolarHBondContact O-OG1 3.47Å |
| 112 | I | 67.1 | Low | 72.8 | Confident | 90 Ų | 90 | 111.9 Ų | 111.9 | 46% | 0.462 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.6 | -48.2 | -178.7 | -165.5 | 162.8 | 0 | 0 | 0 | 110 | P109 L114 T115 F116 | P109-I112 HydrophobicContact CB-CG2 4.3Å; P109-I112 HydrophobicContact CG-CG2 4Å; P109-I112 PolarHBondContact O-N 3.47Å; I112-L114 PolarHBondContact O-N 3.15Å; I112-T115 PolarHBondContact O-N 2.92Å; I112-F116 HydrophobicContact CD1-CE2 4.22Å; I112-F116 HydrophobicContact CG1-CD2 3.92Å; I112-F116 HydrophobicContact CG1-CE2 3.58Å; I112-F116 WeakPolarHBondContact O-CD2 3.37Å; I112-F116 PolarHBondContact O-N 2.9Å |
| 113 | D | 81.3 | Confident | 74.8 | Confident | 123 Ų | 123 | 111.6 Ų | 111.6 | 66% | 0.658 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.9 | -36.9 | 179.9 | -76 | -3.2 | 0 | 0 | 0 | 111.9 | F116 H117 | D113-F116 PolarHBondContact O-N 3.43Å; D113-H117 WeakPolarHBondContact O-CB 3.48Å; D113-H117 PolarHBondContact O-N 3.41Å |
| 114 | L | 85.8 | Confident | 76.9 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -42 | 176.7 | -177.6 | 59.8 | 0 | 0 | 0 | 112 | L110 I112 F116 H117 L118 | L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.26Å; I112-L114 PolarHBondContact O-N 3.15Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.18Å; L114-H117 PolarHBondContact O-N 2.91Å; L114-L118 HydrophobicContact CD1-CD1 4.42Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 3.39Å |
| 115 | T | 86.6 | Confident | 79 | Confident | 90 Ų | 90 | 106.2 Ų | 106.2 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -45.3 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | S111 I112 L119 | S111-T115 WeakPolarHBondContact O-CB 3.3Å; S111-T115 PolarHBondContact O-N 3.01Å; S111-T115 VanDerWaalsContact O-N 3.15Å; S111-T115 PolarHBondContact O-OG1 3.47Å; I112-T115 PolarHBondContact O-N 2.92Å; T115-L119 WeakPolarHBondContact O-CB 3.21Å; T115-L119 PolarHBondContact O-N 2.79Å |
| 116 | F | 86.6 | Confident | 81.1 | Confident | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 176.1 | -73.5 | -64.7 | 0 | 0 | 0 | 113 | I112 D113 L114 L119 R120 | I112-F116 HydrophobicContact CD1-CE2 4.22Å; I112-F116 HydrophobicContact CG1-CD2 3.92Å; I112-F116 HydrophobicContact CG1-CE2 3.58Å; I112-F116 WeakPolarHBondContact O-CD2 3.37Å; I112-F116 PolarHBondContact O-N 2.9Å; D113-F116 PolarHBondContact O-N 3.43Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.18Å; F116-L119 PolarHBondContact O-N 3.48Å; F116-R120 VanDerWaalsContact O-CB 3.29Å; F116-R120 WeakPolarHBondContact O-CB 3.38Å; F116-R120 PolarHBondContact O-N 2.95Å |
| 117 | H | 91.4 | Very high | 83.3 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 174.5 | -179.4 | 75.6 | 0 | 0 | 0 | 111.6 | D113 L114 R120 N121 | D113-H117 WeakPolarHBondContact O-CB 3.48Å; D113-H117 PolarHBondContact O-N 3.41Å; L114-H117 PolarHBondContact O-N 2.91Å; H117-R120 PolarHBondContact O-N 2.75Å; H117-N121 PolarHBondContact CD2-ND2 3.29Å; H117-N121 VanDerWaalsContact CD2-ND2 3.35Å; H117-N121 PolarHBondContact NE2-ND2 3.08Å; H117-N121 PolarHBondContact O-N 3.47Å; H117-N121 PolarHBondContact O-ND2 2.85Å |
| 118 | L | 93.9 | Very high | 85.4 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.2 | -69 | 172.6 | 0 | 0 | 0 | 111.4 | L114 R120 N121 M122 | L114-L118 HydrophobicContact CD1-CD1 4.42Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 3.39Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.29Å; L118-N121 PolarHBondContact O-N 2.68Å; L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 3.2Å |
| 119 | L | 95.6 | Very high | 87.1 | Confident | 88 Ų | 88 | 105 Ų | 105 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 177.6 | -175.9 | 63.8 | 0 | 0 | 0 | 111.4 | T115 F116 M122 I123 | T115-L119 WeakPolarHBondContact O-CB 3.21Å; T115-L119 PolarHBondContact O-N 2.79Å; F116-L119 PolarHBondContact O-N 3.48Å; L119-M122 PolarHBondContact O-N 3.43Å; L119-I123 HydrophobicContact CD1-CD1 4.21Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 3.94Å; L119-I123 VanDerWaalsContact O-CG1 3.28Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 2.87Å |
| 120 | R | 94.9 | Very high | 89.1 | Confident | 167 Ų | 167 | 104.4 Ų | 104.4 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -45.9 | 176.6 | -176.8 | 169.6 | -64.6 | -168 | 1.6 | 111.6 | F116 H117 L118 I123 Q124 | F116-R120 VanDerWaalsContact O-CB 3.29Å; F116-R120 WeakPolarHBondContact O-CB 3.38Å; F116-R120 PolarHBondContact O-N 2.95Å; H117-R120 PolarHBondContact O-N 2.75Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.29Å; R120-I123 PolarHBondContact O-N 2.94Å; R120-Q124 WeakPolarHBondContact O-CB 3.27Å; R120-Q124 VanDerWaalsContact O-CG 3.26Å; R120-Q124 WeakPolarHBondContact O-CG 3.32Å; R120-Q124 PolarHBondContact O-N 3.03Å |
| 121 | N | 95.8 | Very high | 91 | Very high | 55 Ų | 55 | 104.7 Ų | 104.7 | 29% | 0.294 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 176.1 | -76.7 | -29.4 | 0 | 0 | 0 | 111.5 | H117 L118 I123 Q124 M125 | H117-N121 PolarHBondContact CD2-ND2 3.29Å; H117-N121 VanDerWaalsContact CD2-ND2 3.35Å; H117-N121 PolarHBondContact NE2-ND2 3.08Å; H117-N121 PolarHBondContact O-N 3.47Å; H117-N121 PolarHBondContact O-ND2 2.85Å; L118-N121 PolarHBondContact O-N 2.68Å; N121-I123 PolarHBondContact O-N 3.01Å; N121-Q124 PolarHBondContact O-N 2.99Å; N121-M125 HydrophobicContact CB-CE 4.48Å; N121-M125 WeakPolarHBondContact O-CB 3.31Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 2.95Å |
| 122 | M | 97.1 | Very high | 92.7 | Very high | 120 Ų | 120 | 109 Ų | 109 | 59% | 0.591 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61 | -45 | 178 | -71.5 | 177.9 | 69 | 0 | 0 | 112 | L118 L119 Q124 M125 A126 | L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 3.2Å; L119-M122 PolarHBondContact O-N 3.43Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; M122-M125 HydrophobicContact CG-CE 4.37Å; M122-M125 PolarHBondContact O-N 2.67Å; M122-A126 WeakPolarHBondContact O-CB 3.22Å; M122-A126 PolarHBondContact O-N 3.3Å |
| 123 | I | 97.8 | Very high | 94.2 | Very high | 105 Ų | 105 | 109.8 Ų | 109.8 | 54% | 0.538 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.8 | -68.2 | 167.2 | 0 | 0 | 0 | 110.8 | L119 R120 N121 A126 K127 | L119-I123 HydrophobicContact CD1-CD1 4.21Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 3.94Å; L119-I123 VanDerWaalsContact O-CG1 3.28Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 2.87Å; R120-I123 PolarHBondContact O-N 2.94Å; N121-I123 PolarHBondContact O-N 3.01Å; I123-A126 PolarHBondContact O-N 3.35Å; I123-K127 WeakPolarHBondContact O-CB 3.34Å; I123-K127 PolarHBondContact O-N 3.47Å |
| 124 | Q | 96.8 | Very high | 94.9 | Very high | 102 Ų | 102 | 108.7 Ų | 108.7 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.5 | -75.6 | 176.2 | -9.5 | 0 | 0 | 111.7 | R120 N121 M122 K127 M128 | R120-Q124 WeakPolarHBondContact O-CB 3.27Å; R120-Q124 VanDerWaalsContact O-CG 3.26Å; R120-Q124 WeakPolarHBondContact O-CG 3.32Å; R120-Q124 PolarHBondContact O-N 3.03Å; N121-Q124 PolarHBondContact O-N 2.99Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; Q124-K127 PolarHBondContact O-N 3.37Å; Q124-M128 WeakPolarHBondContact O-CG 3.43Å; Q124-M128 PolarHBondContact O-N 3.15Å; Q124-M128 VanDerWaalsContact O-N 3.07Å |
| 125 | M | 96.9 | Very high | 95.4 | Very high | 105 Ų | 105 | 106.8 Ų | 106.8 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 175.8 | -72.7 | -174.2 | -68.4 | 0 | 0 | 111.6 | N121 M122 K127 M128 E129 | N121-M125 HydrophobicContact CB-CE 4.48Å; N121-M125 WeakPolarHBondContact O-CB 3.31Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 2.95Å; M122-M125 HydrophobicContact CG-CE 4.37Å; M122-M125 PolarHBondContact O-N 2.67Å; M125-K127 VanDerWaalsContact C-N 3.27Å; M125-K127 PolarHBondContact O-N 3.05Å; M125-M128 HydrophobicContact CG-CE 4.39Å; M125-M128 PolarHBondContact O-N 3.3Å; M125-M128 VanDerWaalsContact O-N 3.16Å; M125-E129 WeakPolarHBondContact O-CB 3.37Å; M125-E129 PolarHBondContact O-N 3.44Å |
| 126 | A | 97.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 107.5 Ų | 107.5 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -39 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M122 I123 S130 | M122-A126 WeakPolarHBondContact O-CB 3.22Å; M122-A126 PolarHBondContact O-N 3.3Å; I123-A126 PolarHBondContact O-N 3.35Å; A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.42Å |
| 127 | K | 97.6 | Very high | 96.3 | Very high | 150 Ų | 150 | 106.3 Ų | 106.3 | 65% | 0.652 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -45.5 | 176.2 | -176.1 | 177.8 | 178 | 178.9 | 0 | 112.2 | I123 Q124 M125 E129 Q131 | I123-K127 WeakPolarHBondContact O-CB 3.34Å; I123-K127 PolarHBondContact O-N 3.47Å; Q124-K127 PolarHBondContact O-N 3.37Å; M125-K127 VanDerWaalsContact C-N 3.27Å; M125-K127 PolarHBondContact O-N 3.05Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-Q131 WeakPolarHBondContact O-CB 3.24Å; K127-Q131 PolarHBondContact O-N 3.14Å |
| 128 | M | 97.4 | Very high | 96.5 | Very high | 119 Ų | 119 | 105.2 Ų | 105.2 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 178.4 | -71.2 | -173.4 | -64.2 | 0 | 0 | 111.8 | Q124 M125 Q131 R132 | Q124-M128 WeakPolarHBondContact O-CG 3.43Å; Q124-M128 PolarHBondContact O-N 3.15Å; Q124-M128 VanDerWaalsContact O-N 3.07Å; M125-M128 HydrophobicContact CG-CE 4.39Å; M125-M128 PolarHBondContact O-N 3.3Å; M125-M128 VanDerWaalsContact O-N 3.16Å; M128-Q131 PolarHBondContact O-N 2.81Å; M128-R132 WeakPolarHBondContact O-CB 3.48Å; M128-R132 PolarHBondContact O-N 2.62Å |
| 129 | E | 96.6 | Very high | 96.6 | Very high | 122 Ų | 122 | 109.1 Ų | 109.1 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -49.2 | 177.3 | -174.2 | 165 | -145.2 | 0 | 0 | 111.2 | M125 K127 Q131 R132 E133 | M125-E129 WeakPolarHBondContact O-CB 3.37Å; M125-E129 PolarHBondContact O-N 3.44Å; K127-E129 VanDerWaalsContact C-N 3.35Å; E129-Q131 VanDerWaalsContact C-N 3.33Å; E129-Q131 PolarHBondContact O-N 3.5Å; E129-R132 WeakPolarHBondContact O-CB 3.19Å; E129-R132 PolarHBondContact O-N 2.94Å; E129-R132 VanDerWaalsContact O-N 3.11Å; E129-E133 WeakPolarHBondContact O-CG 3.49Å; E129-E133 PolarHBondContact O-N 3.37Å |
| 130 | S | 96.1 | Very high | 96.6 | Very high | 73 Ų | 73 | 110.9 Ų | 110.9 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 175.6 | 176 | 0 | 0 | 0 | 0 | 112.5 | A126 R132 E133 Q134 | A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.42Å; S130-R132 VanDerWaalsContact C-N 3.34Å; S130-R132 PolarHBondContact O-N 2.99Å; S130-E133 PolarHBondContact O-N 3.26Å; S130-Q134 WeakPolarHBondContact O-CB 3.33Å; S130-Q134 PolarHBondContact O-N 2.94Å |
| 131 | Q | 97.4 | Very high | 96.5 | Very high | 138 Ų | 138 | 106.7 Ų | 106.7 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 176.9 | -173.8 | 177 | 5.1 | 0 | 0 | 111.8 | K127 M128 E129 Q134 A135 | K127-Q131 WeakPolarHBondContact O-CB 3.24Å; K127-Q131 PolarHBondContact O-N 3.14Å; M128-Q131 PolarHBondContact O-N 2.81Å; E129-Q131 VanDerWaalsContact C-N 3.33Å; E129-Q131 PolarHBondContact O-N 3.5Å; Q131-Q134 PolarHBondContact O-N 2.8Å; Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.23Å |
| 132 | R | 97.2 | Very high | 96.4 | Very high | 171 Ų | 171 | 110 Ų | 110 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.2 | -45.8 | 176 | 178.9 | -176.2 | 173 | 83.5 | 0.2 | 111.1 | M128 E129 S130 A135 Q136 | M128-R132 WeakPolarHBondContact O-CB 3.48Å; M128-R132 PolarHBondContact O-N 2.62Å; E129-R132 WeakPolarHBondContact O-CB 3.19Å; E129-R132 PolarHBondContact O-N 2.94Å; E129-R132 VanDerWaalsContact O-N 3.11Å; S130-R132 VanDerWaalsContact C-N 3.34Å; S130-R132 PolarHBondContact O-N 2.99Å; R132-A135 PolarHBondContact O-N 3.47Å; R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.75Å |
| 133 | E | 97 | Very high | 96.2 | Very high | 105 Ų | 105 | 108.5 Ų | 108.5 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 175.6 | -71.7 | -177.6 | 165.2 | 0 | 0 | 111.3 | E129 S130 A135 Q136 L137 | E129-E133 WeakPolarHBondContact O-CG 3.49Å; E129-E133 PolarHBondContact O-N 3.37Å; S130-E133 PolarHBondContact O-N 3.26Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.45Å; E133-Q136 WeakPolarHBondContact O-CB 3.25Å; E133-Q136 PolarHBondContact O-N 3.36Å; E133-Q136 VanDerWaalsContact O-N 3.08Å; E133-L137 WeakPolarHBondContact O-CG 3.23Å; E133-L137 PolarHBondContact O-N 2.88Å |
| 134 | Q | 96.9 | Very high | 96 | Very high | 101 Ų | 101 | 109.1 Ų | 109.1 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 176.8 | -173 | 63.9 | 37.8 | 0 | 0 | 111.8 | S130 Q131 Q136 L137 N138 | S130-Q134 WeakPolarHBondContact O-CB 3.33Å; S130-Q134 PolarHBondContact O-N 2.94Å; Q131-Q134 PolarHBondContact O-N 2.8Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q134-Q136 PolarHBondContact O-N 3.16Å; Q134-L137 PolarHBondContact O-N 3.05Å; Q134-N138 PolarHBondContact NE2-OD1 3.19Å; Q134-N138 WeakPolarHBondContact O-CB 3.49Å; Q134-N138 PolarHBondContact O-N 3.21Å; Q134-N138 PolarHBondContact O-OD1 3.35Å |
| 135 | A | 96.3 | Very high | 95.5 | Very high | 57 Ų | 57 | 109.6 Ų | 109.6 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q131 R132 E133 N138 R139 | Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.23Å; R132-A135 PolarHBondContact O-N 3.47Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.45Å; A135-N138 PolarHBondContact O-N 3.27Å; A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 PolarHBondContact O-N 3.43Å |
| 136 | Q | 96.3 | Very high | 94.3 | Very high | 104 Ų | 104 | 108 Ų | 108 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -42 | 174.6 | -70.9 | 175.1 | -1 | 0 | 0 | 111.9 | R132 E133 Q134 R139 K140 | R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.75Å; E133-Q136 WeakPolarHBondContact O-CB 3.25Å; E133-Q136 PolarHBondContact O-N 3.36Å; E133-Q136 VanDerWaalsContact O-N 3.08Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q134-Q136 PolarHBondContact O-N 3.16Å; Q136-R139 PolarHBondContact O-N 2.75Å; Q136-K140 PolarHBondContact O-N 3.31Å |
| 137 | L | 96.3 | Very high | 92.3 | Very high | 99 Ų | 99 | 116.4 Ų | 116.4 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -47.5 | 174.5 | -67.9 | 176.5 | 0 | 0 | 0 | 111.1 | E133 Q134 R139 K140 V141 | E133-L137 WeakPolarHBondContact O-CG 3.23Å; E133-L137 PolarHBondContact O-N 2.88Å; Q134-L137 PolarHBondContact O-N 3.05Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.28Å; L137-K140 PolarHBondContact O-N 2.82Å; L137-K140 VanDerWaalsContact O-N 3.11Å; L137-V141 WeakPolarHBondContact O-CG2 3.06Å; L137-V141 PolarHBondContact O-N 2.85Å |
| 138 | N | 95.1 | Very high | 92 | Very high | 80 Ų | 80 | 114.8 Ų | 114.8 | 43% | 0.428 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.4 | -41.6 | 177.2 | -70.6 | -5.5 | 0 | 0 | 0 | 111.5 | Q134 A135 V141 L142 | Q134-N138 PolarHBondContact NE2-OD1 3.19Å; Q134-N138 WeakPolarHBondContact O-CB 3.49Å; Q134-N138 PolarHBondContact O-N 3.21Å; Q134-N138 PolarHBondContact O-OD1 3.35Å; A135-N138 PolarHBondContact O-N 3.27Å; N138-V141 PolarHBondContact O-N 2.91Å; N138-L142 WeakPolarHBondContact O-CG 3.12Å; N138-L142 PolarHBondContact O-N 3.17Å |
| 139 | R | 95.4 | Very high | 91.7 | Very high | 176 Ų | 176 | 114.5 Ų | 114.5 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.3 | -48.5 | 174.7 | 178.5 | 179.4 | 174 | 179.5 | 1.2 | 111.4 | A135 Q136 L137 V141 L142 D143 | A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 PolarHBondContact O-N 3.43Å; Q136-R139 PolarHBondContact O-N 2.75Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.28Å; R139-V141 VanDerWaalsContact C-N 3.31Å; R139-V141 PolarHBondContact O-N 3.47Å; R139-L142 PolarHBondContact O-N 3.38Å; R139-D143 IonicContact NE-OD2 3.89Å; R139-D143 VanDerWaalsContact O-CG 3.26Å; R139-D143 PolarHBondContact O-N 2.97Å |
| 140 | K | 95.3 | Very high | 91.5 | Very high | 125 Ų | 125 | 114.1 Ų | 114.1 | 54% | 0.543 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60 | -43 | 178.7 | -174.9 | 178.8 | 174.6 | -174.3 | 0 | 111.7 | Q136 L137 D143 E144 | Q136-K140 PolarHBondContact O-N 3.31Å; L137-K140 PolarHBondContact O-N 2.82Å; L137-K140 VanDerWaalsContact O-N 3.11Å; K140-D143 PolarHBondContact O-N 2.85Å; K140-E144 WeakPolarHBondContact CE-OE1 3.19Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.45Å |
| 141 | V | 94.5 | Very high | 91.2 | Very high | 78 Ų | 78 | 116.5 Ų | 116.5 | 47% | 0.473 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L137 N138 R139 D143 E144 V145 | L137-V141 WeakPolarHBondContact O-CG2 3.06Å; L137-V141 PolarHBondContact O-N 2.85Å; N138-V141 PolarHBondContact O-N 2.91Å; R139-V141 VanDerWaalsContact C-N 3.31Å; R139-V141 PolarHBondContact O-N 3.47Å; V141-D143 VanDerWaalsContact C-N 3.34Å; V141-D143 PolarHBondContact O-N 2.92Å; V141-E144 PolarHBondContact O-N 3.4Å; V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CB 3.33Å; V141-V145 VanDerWaalsContact O-CG2 3.3Å; V141-V145 WeakPolarHBondContact O-CG2 3.32Å; V141-V145 PolarHBondContact O-N 3.27Å |
| 142 | L | 93.1 | Very high | 90.8 | Very high | 124 Ų | 124 | 115.2 Ų | 115.2 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.6 | -39.1 | 176 | -72 | 172.8 | 0 | 0 | 0 | 112.2 | N138 R139 E144 G146 | N138-L142 WeakPolarHBondContact O-CG 3.12Å; N138-L142 PolarHBondContact O-N 3.17Å; R139-L142 PolarHBondContact O-N 3.38Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 2.9Å; L142-G146 WeakPolarHBondContact O-CA 3.29Å; L142-G146 PolarHBondContact O-N 3.28Å |
| 143 | D | 93.5 | Very high | 90.4 | Very high | 89 Ų | 89 | 111.5 Ų | 111.5 | 48% | 0.476 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.8 | -27.6 | 176.8 | -69 | -19.4 | 0 | 0 | 0 | 112.4 | R139 K140 V141 K147 | R139-D143 IonicContact NE-OD2 3.89Å; R139-D143 VanDerWaalsContact O-CG 3.26Å; R139-D143 PolarHBondContact O-N 2.97Å; K140-D143 PolarHBondContact O-N 2.85Å; V141-D143 VanDerWaalsContact C-N 3.34Å; V141-D143 PolarHBondContact O-N 2.92Å; D143-K147 WeakPolarHBondContact O-CE 3.41Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å |
| 144 | E | 92 | Very high | 89.9 | Confident | 118 Ų | 118 | 111.9 Ų | 111.9 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.8 | -41.8 | 175.7 | -74.9 | 175.6 | -173.3 | 0 | 0 | 112.5 | K140 V141 L142 | K140-E144 WeakPolarHBondContact CE-OE1 3.19Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.45Å; V141-E144 PolarHBondContact O-N 3.4Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 2.9Å |
| 145 | V | 86.2 | Confident | 89.4 | Confident | 112 Ų | 112 | 112.8 Ų | 112.8 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.9 | -25.1 | -178.6 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | V141 K147 | V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CB 3.33Å; V141-V145 VanDerWaalsContact O-CG2 3.3Å; V141-V145 WeakPolarHBondContact O-CG2 3.32Å; V141-V145 PolarHBondContact O-N 3.27Å; V145-K147 VanDerWaalsContact C-N 3.3Å; V145-K147 PolarHBondContact O-N 3.06Å |
| 146 | G | 72.9 | Confident | 88.8 | Confident | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 3.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L142 | L142-G146 WeakPolarHBondContact O-CA 3.29Å; L142-G146 PolarHBondContact O-N 3.28Å |
| 147 | K | 55.1 | Low | 88.1 | Confident | 233 Ų | 233 | 118.6 Ų | 118.6 | 100% | 1.013 | 61% | 0.612 | S | S | * | * | trans | -98.3 | 0 | 170 | -71.7 | 177.9 | -175.6 | -178.6 | 0 | 110.3 | D143 V145 | D143-K147 WeakPolarHBondContact O-CE 3.41Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; V145-K147 VanDerWaalsContact C-N 3.3Å; V145-K147 PolarHBondContact O-N 3.06Å |
Retrieved 147 of 147 residues in 148 ms
(Link to these results)