| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.7 | Very low | 53.4 | Low | 249 Ų | 249 | 151.3 Ų | 151.3 | 100% | 1.227 | 80% | 0.798 | S | S | * | * | 0 | 62.9 | 0 | -71.4 | -77.3 | -128.5 | 0 | 0 | 110.5 | |||||
| 2 | A | 55.2 | Low | 53.1 | Low | 101 Ų | 101 | 152.6 Ų | 152.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -150 | 32.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3 | F | 54.7 | Low | 53.2 | Low | 201 Ų | 201 | 149.5 Ų | 149.5 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -128.8 | 7.6 | 179.7 | -137.5 | -94.5 | 0 | 0 | 0 | 114.4 | ||
| 4 | L | 57.2 | Low | 53.1 | Low | 160 Ų | 160 | 151.8 Ų | 151.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -115.6 | 13.9 | -175.1 | -86.6 | 162.1 | 0 | 0 | 0 | 114.7 | ||
| 5 | M | 52.2 | Low | 52.9 | Low | 175 Ų | 175 | 151.5 Ų | 151.5 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -110.9 | -2.1 | 178.7 | -73.5 | 178.9 | -174.5 | 0 | 0 | 114.6 | ||
| 6 | K | 53 | Low | 52.8 | Low | 192 Ų | 192 | 152.5 Ų | 152.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -91.9 | -12.4 | -174.7 | -164.3 | 142.7 | -179.7 | 177.1 | 0 | 114.9 | ||
| 7 | S | 56.4 | Low | 52.2 | Low | 88 Ų | 88 | 148.2 Ų | 148.2 | 62% | 0.615 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -87.4 | -17.2 | -176.7 | 53.4 | 0 | 0 | 0 | 0 | 115 | ||
| 8 | M | 50.3 | Low | 51.2 | Low | 169 Ų | 169 | 152.2 Ų | 152.2 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -92.3 | -11.8 | -176.6 | -80.1 | -174.4 | 168.6 | 0 | 0 | 115.3 | ||
| 9 | I | 54 | Low | 50.4 | Low | 126 Ų | 126 | 147.7 Ų | 147.7 | 65% | 0.646 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -93.7 | -16.8 | -177.5 | -74.2 | 165.4 | 0 | 0 | 0 | 113.1 | ||
| 10 | S | 52.1 | Low | 49.6 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 50% | 0.503 | 80% | 0.804 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -16.3 | -174.3 | 73 | 0 | 0 | 0 | 0 | 115.1 | ||
| 11 | N | 52.2 | Low | 48.8 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -13.3 | -176.1 | -108.2 | 26.2 | 0 | 0 | 0 | 114.8 | ||
| 12 | Q | 50.3 | Low | 47.9 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -18.7 | -179.3 | -76.5 | -80 | -53.6 | 0 | 0 | 113.4 | ||
| 13 | V | 53.9 | Low | 46.8 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -86.4 | -13.1 | -178 | -166.7 | 0 | 0 | 0 | 0 | 112.6 | N15 | V13-N15 VanDerWaalsContact C-N 3.34Å; V13-N15 PolarHBondContact O-N 3.1Å |
| 14 | K | 51.9 | Low | 45.8 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -78.4 | -9.9 | -179 | -78.3 | -177.3 | 178 | -179.8 | 0 | 115 | ||
| 15 | N | 49.9 | Very low | 44.5 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -115.3 | 16.3 | -172.9 | -146.6 | 43.7 | 0 | 0 | 0 | 115.1 | V13 | V13-N15 VanDerWaalsContact C-N 3.34Å; V13-N15 PolarHBondContact O-N 3.1Å |
| 16 | L | 52.3 | Low | 43.5 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -139.5 | 76.5 | 179.9 | -142.5 | 76.9 | 0 | 0 | 0 | 110.6 | ||||
| 17 | G | 41.8 | Very low | 42.6 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | -159 | 76.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 18 | F | 34.6 | Very low | 41.9 | Very low | 221 Ų | 221 | 138.2 Ų | 138.2 | 97% | 0.969 | 77% | 0.772 | S | S | * | * | trans | -37.8 | 141.8 | 165 | -171.7 | -96.9 | 0 | 0 | 0 | 116.4 | ||||
| 19 | G | 35.6 | Very low | 41.3 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | 125 | 120.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 20 | G | 34.1 | Very low | 40.5 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | -84.5 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 21 | G | 32.8 | Very low | 40.3 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | 156.5 | 116.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 22 | S | 31.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -26.9 | 133.6 | 173.4 | -101.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 23 | E | 32.9 | Very low | 40.6 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | 72.5 | 129 | 114.5 | -106 | 169.3 | 175.5 | 0 | 0 | 123.5 | |||||
| 24 | E | 33 | Very low | 40.9 | Very low | 153 Ų | 153 | 124.1 Ų | 124.1 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | trans | 72.8 | 112.2 | 153 | -25.5 | -173.4 | -165.4 | 0 | 0 | 121.8 | ||||
| 25 | N | 31 | Very low | 41.2 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | 162.8 | 141.9 | 91.2 | -125.9 | -56.2 | 0 | 0 | 0 | 113.1 | |||||
| 26 | K | 31 | Very low | 41.5 | Very low | 168 Ų | 168 | 112 Ų | 112 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | 71.9 | 101.8 | 159.3 | -69.5 | 176.7 | -176.2 | -179.3 | 0 | 119 | ||||
| 27 | E | 32.7 | Very low | 41.9 | Very low | 170 Ų | 170 | 107.9 Ų | 107.9 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | 92.9 | 105.5 | 79.9 | -91.1 | -177.8 | 169.8 | 0 | 0 | 111.6 | |||||
| 28 | E | 42.4 | Very low | 42.8 | Very low | 201 Ų | 201 | 109.3 Ų | 109.3 | 94% | 0.939 | 69% | 0.688 | S | S | * | * | trans | 26.6 | 102.1 | 141.8 | -60.2 | -170.5 | 160.7 | 0 | 0 | 118.3 | ||||
| 29 | G | 37 | Very low | 44.1 | Very low | 78 Ų | 78 | 102.1 Ų | 102.1 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -150.1 | 77.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 30 | G | 38.9 | Very low | 45.4 | Very low | 75 Ų | 75 | 102.3 Ų | 102.3 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | -49.2 | 144.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S32 | G30-S32 PolarHBondContact O-N 3.35Š| ||
| 31 | A | 47 | Very low | 47.2 | Very low | 93 Ų | 93 | 101.9 Ų | 101.9 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | trans | -13.7 | 113.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D33 | A31-D33 PolarHBondContact O-N 2.94Š| ||
| 32 | S | 56.1 | Low | 49.1 | Very low | 101 Ų | 101 | 105.7 Ų | 105.7 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -47.8 | 111.2 | 163.2 | 53.2 | 0 | 0 | 0 | 0 | 107.3 | G30 P34 | G30-S32 PolarHBondContact O-N 3.35Å; S32-P34 VanDerWaalsContact O-N 3.15Å | ||
| 33 | D | 52.3 | Low | 51.1 | Low | 70 Ų | 70 | 108 Ų | 108 | 37% | 0.374 | 63% | 0.627 | S | S | . | * | trans | -50.3 | 121.9 | -175.6 | -170.3 | -15.3 | 0 | 0 | 0 | 108.4 | A31 A35 A36 A37 | A31-D33 PolarHBondContact O-N 2.94Å; D33-A35 PolarHBondContact O-N 3.33Å; D33-A35 PolarHBondContact OD1-N 2.93Å; D33-A36 HydrophobicContact CB-CB 4.11Å; D33-A36 WeakPolarHBondContact O-CA 3.31Å; D33-A36 WeakPolarHBondContact O-CB 3.34Å; D33-A36 PolarHBondContact O-N 2.79Å; D33-A37 PolarHBondContact O-N 3.26Å; D33-A37 VanDerWaalsContact O-N 3.08Å | ||
| 34 | P | 60.6 | Low | 53 | Low | 65 Ų | 65 | 104.5 Ų | 104.5 | 42% | 0.422 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -56.9 | -24.2 | -178.3 | 22.7 | -34.4 | 0 | 0 | 0 | 112.5 | S32 Q38 Y45 | S32-P34 VanDerWaalsContact O-N 3.15Å; P34-Q38 PolarHBondContact O-N 3.05Å; P34-Y45 HydrophobicContact CB-CE1 4.14Å; P34-Y45 HydrophobicContact CG-CE1 4.14Å |
| 35 | A | 57.5 | Low | 55 | Low | 1 Ų | 1 | 99.1 Ų | 99.1 | 1% | 0.008 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -66 | -44.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D33 A37 Q38 G39 M40 R42 Y45 | D33-A35 PolarHBondContact O-N 3.33Å; D33-A35 PolarHBondContact OD1-N 2.93Å; A35-A37 VanDerWaalsContact C-N 3.32Å; A35-A37 PolarHBondContact O-N 3.38Å; A35-Q38 PolarHBondContact O-N 3.43Å; A35-G39 PolarHBondContact O-N 3.07Å; A35-M40 CarbonylContact C-O 3.55Å; A35-M40 PolarHBondContact O-N 2.91Å; A35-M40 VanDerWaalsContact O-N 3.13Å; A35-M40 VanDerWaalsContact O-O 3.11Å; A35-R42 HydrophobicContact CB-CB 4.34Å; A35-Y45 HydrophobicContact CB-CD1 4.28Å; A35-Y45 HydrophobicContact CB-CD2 4.48Å; A35-Y45 HydrophobicContact CB-CG 3.9Å |
| 36 | A | 56.7 | Low | 57.3 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 60% | 0.603 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.6 | -31.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D33 Q38 G39 | D33-A36 HydrophobicContact CB-CB 4.11Å; D33-A36 WeakPolarHBondContact O-CA 3.31Å; D33-A36 WeakPolarHBondContact O-CB 3.34Å; D33-A36 PolarHBondContact O-N 2.79Å; A36-Q38 VanDerWaalsContact C-N 3.3Å; A36-Q38 PolarHBondContact O-N 3.29Å; A36-G39 PolarHBondContact O-N 3.03Å |
| 37 | A | 60.4 | Low | 59.7 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.1 | -26 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D33 A35 | D33-A37 PolarHBondContact O-N 3.26Å; D33-A37 VanDerWaalsContact O-N 3.08Å; A35-A37 VanDerWaalsContact C-N 3.32Å; A35-A37 PolarHBondContact O-N 3.38Å |
| 38 | Q | 61.2 | Low | 61.9 | Low | 108 Ų | 108 | 92.6 Ų | 92.6 | 51% | 0.505 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 0.9 | 172.4 | -81.7 | -169.5 | -14.3 | 0 | 0 | 113.7 | P34 A35 A36 M40 Y45 | P34-Q38 PolarHBondContact O-N 3.05Å; A35-Q38 PolarHBondContact O-N 3.43Å; A36-Q38 VanDerWaalsContact C-N 3.3Å; A36-Q38 PolarHBondContact O-N 3.29Å; Q38-M40 HydrophobicContact CB-CG 4.43Å; Q38-M40 PolarHBondContact O-N 3.49Å; Q38-Y45 HydrophobicContact CB-CD2 4.43Å; Q38-Y45 HydrophobicContact CG-CE2 4.35Å |
| 39 | G | 62.9 | Low | 63.6 | Low | 71 Ų | 71 | 87.2 Ų | 87.2 | 73% | 0.732 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 19.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A35 A36 | A35-G39 PolarHBondContact O-N 3.07Å; A36-G39 PolarHBondContact O-N 3.03Å |
| 40 | M | 62.4 | Low | 65.9 | Low | 71 Ų | 71 | 90.3 Ų | 90.3 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | trans | -106.1 | 150.9 | -178.1 | -68.1 | -84.9 | -86.9 | 0 | 0 | 109.6 | A35 Q38 E44 | A35-M40 CarbonylContact C-O 3.55Å; A35-M40 PolarHBondContact O-N 2.91Å; A35-M40 VanDerWaalsContact O-N 3.13Å; A35-M40 VanDerWaalsContact O-O 3.11Å; Q38-M40 HydrophobicContact CB-CG 4.43Å; Q38-M40 PolarHBondContact O-N 3.49Å; M40-E44 HydrophobicContact CB-CB 4.3Å; M40-E44 HydrophobicContact CE-CB 3.62Å; M40-E44 HydrophobicContact SD-CB 4.2Å | ||
| 41 | T | 71.8 | Confident | 68 | Low | 79 Ų | 79 | 92.4 Ų | 92.4 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | trans | -65.4 | 152.4 | 166.2 | 65.5 | 0 | 0 | 0 | 0 | 109.3 | E43 E44 Y45 | T41-E43 PolarHBondContact O-N 2.82Å; T41-E44 WeakPolarHBondContact CB-OE2 3.45Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.27Å; T41-E44 PolarHBondContact N-OE2 3.35Å; T41-E44 PolarHBondContact O-N 2.86Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.4Å; T41-E44 PolarHBondContact OG1-OE2 2.86Å; T41-Y45 PolarHBondContact O-N 3.48Å | ||
| 42 | R | 72.5 | Confident | 69.8 | Low | 164 Ų | 164 | 91.8 Ų | 91.8 | 62% | 0.619 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.4 | -36.2 | -176.5 | -179.8 | 174.2 | 167 | -178.3 | -0.7 | 112.8 | A35 Y45 E46 | A35-R42 HydrophobicContact CB-CB 4.34Å; R42-Y45 PolarHBondContact O-N 2.61Å; R42-E46 IonicContact NE-OE1 2.66Å; R42-E46 PolarHBondContact NE-OE1 3.36Å; R42-E46 WeakPolarHBondContact O-CG 3.34Å; R42-E46 PolarHBondContact O-N 3.35Å |
| 43 | E | 73.2 | Confident | 71.3 | Confident | 154 Ų | 154 | 91.7 Ų | 91.7 | 72% | 0.72 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.4 | -43.6 | 177.8 | -64.1 | 176.4 | 177.6 | 0 | 0 | 111.6 | T41 Y45 E46 E47 | T41-E43 PolarHBondContact O-N 2.82Å; E43-Y45 VanDerWaalsContact C-N 3.31Å; E43-Y45 PolarHBondContact O-N 3.44Å; E43-E46 PolarHBondContact O-N 3.27Å; E43-E47 PolarHBondContact O-N 3.39Å; E43-E47 VanDerWaalsContact O-N 3.07Å |
| 44 | E | 73.3 | Confident | 72.8 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 176.8 | -67.5 | 165 | 145.5 | 0 | 0 | 112.5 | M40 T41 Y48 | M40-E44 HydrophobicContact CB-CB 4.3Å; M40-E44 HydrophobicContact CE-CB 3.62Å; M40-E44 HydrophobicContact SD-CB 4.2Å; T41-E44 WeakPolarHBondContact CB-OE2 3.45Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.27Å; T41-E44 PolarHBondContact N-OE2 3.35Å; T41-E44 PolarHBondContact O-N 2.86Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.4Å; T41-E44 PolarHBondContact OG1-OE2 2.86Å; E44-Y48 WeakPolarHBondContact O-CB 3.35Å; E44-Y48 PolarHBondContact O-N 3.4Å |
| 45 | Y | 73.5 | Confident | 74 | Confident | 41 Ų | 41 | 94.4 Ų | 94.4 | 16% | 0.161 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 176.2 | -177.1 | -97.6 | 0 | 0 | 0 | 112.4 | P34 A35 Q38 T41 R42 E43 Y48 Q49 | P34-Y45 HydrophobicContact CB-CE1 4.14Å; P34-Y45 HydrophobicContact CG-CE1 4.14Å; A35-Y45 HydrophobicContact CB-CD1 4.28Å; A35-Y45 HydrophobicContact CB-CD2 4.48Å; A35-Y45 HydrophobicContact CB-CG 3.9Å; Q38-Y45 HydrophobicContact CB-CD2 4.43Å; Q38-Y45 HydrophobicContact CG-CE2 4.35Å; T41-Y45 PolarHBondContact O-N 3.48Å; R42-Y45 PolarHBondContact O-N 2.61Å; E43-Y45 VanDerWaalsContact C-N 3.31Å; E43-Y45 PolarHBondContact O-N 3.44Å; Y45-Y48 PolarHBondContact O-N 3.27Å; Y45-Q49 HydrophobicContact CD1-CG 4.46Å; Y45-Q49 HydrophobicContact CE1-CG 4.06Å; Y45-Q49 WeakPolarHBondContact O-CG 3.32Å; Y45-Q49 PolarHBondContact O-N 2.86Å; Y45-Q49 PolarHBondContact OH-NE2 3.29Å; Y45-Q49 VanDerWaalsContact OH-NE2 3.08Å |
| 46 | E | 80.4 | Confident | 75.5 | Confident | 102 Ų | 102 | 100 Ų | 100 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 176.4 | -71.7 | 175.5 | -166.5 | 0 | 0 | 111.2 | R42 E43 Q49 K50 | R42-E46 IonicContact NE-OE1 2.66Å; R42-E46 PolarHBondContact NE-OE1 3.36Å; R42-E46 WeakPolarHBondContact O-CG 3.34Å; R42-E46 PolarHBondContact O-N 3.35Å; E43-E46 PolarHBondContact O-N 3.27Å; E46-Q49 PolarHBondContact O-N 3.27Å; E46-K50 WeakPolarHBondContact O-CB 3.45Å; E46-K50 PolarHBondContact O-N 3.24Å |
| 47 | E | 80.4 | Confident | 76.8 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | 173.5 | -72.8 | -172.6 | 168 | 0 | 0 | 112.7 | E43 Q49 K50 Q51 | E43-E47 PolarHBondContact O-N 3.39Å; E43-E47 VanDerWaalsContact O-N 3.07Å; E47-Q49 PolarHBondContact O-N 2.95Å; E47-K50 WeakPolarHBondContact O-CB 3.39Å; E47-K50 PolarHBondContact O-N 2.93Å; E47-Q51 WeakPolarHBondContact O-CG 3.46Å; E47-Q51 PolarHBondContact O-N 2.87Å |
| 48 | Y | 79.4 | Confident | 78 | Confident | 102 Ų | 102 | 104.9 Ų | 104.9 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.8 | 177.1 | -105.2 | 0 | 0 | 0 | 111.9 | E44 Y45 K50 Q51 M52 | E44-Y48 WeakPolarHBondContact O-CB 3.35Å; E44-Y48 PolarHBondContact O-N 3.4Å; Y45-Y48 PolarHBondContact O-N 3.27Å; Y48-K50 VanDerWaalsContact C-N 3.29Å; Y48-K50 PolarHBondContact O-N 2.96Å; Y48-Q51 PolarHBondContact O-N 2.87Å; Y48-M52 HydrophobicContact CD1-CG 4.36Å; Y48-M52 HydrophobicContact CD2-CG 4.44Å; Y48-M52 HydrophobicContact CE1-CG 3.92Å; Y48-M52 HydrophobicContact CE2-CG 4.01Å; Y48-M52 HydrophobicContact CE2-SD 4.17Å; Y48-M52 WeakPolarHBondContact O-CB 3.48Å; Y48-M52 VanDerWaalsContact O-CG 3.3Å; Y48-M52 WeakPolarHBondContact O-CG 3.45Å; Y48-M52 PolarHBondContact O-N 3.2Å |
| 49 | Q | 78.8 | Confident | 79.2 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 174.1 | -78.3 | -167.3 | -17.3 | 0 | 0 | 111.8 | Y45 E46 E47 M52 I53 | Y45-Q49 HydrophobicContact CD1-CG 4.46Å; Y45-Q49 HydrophobicContact CE1-CG 4.06Å; Y45-Q49 WeakPolarHBondContact O-CG 3.32Å; Y45-Q49 PolarHBondContact O-N 2.86Å; Y45-Q49 PolarHBondContact OH-NE2 3.29Å; Y45-Q49 VanDerWaalsContact OH-NE2 3.08Å; E46-Q49 PolarHBondContact O-N 3.27Å; E47-Q49 PolarHBondContact O-N 2.95Å; Q49-M52 PolarHBondContact O-N 3.34Å; Q49-I53 VanDerWaalsContact O-CG1 3.29Å; Q49-I53 WeakPolarHBondContact O-CG1 3.48Å; Q49-I53 PolarHBondContact O-N 3.34Å |
| 50 | K | 85 | Confident | 80.3 | Confident | 143 Ų | 143 | 105 Ų | 105 | 62% | 0.622 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.5 | -46.9 | 177.4 | -170.9 | -178.3 | 174.6 | -167.2 | 0 | 111.6 | E46 E47 Y48 M52 I53 E54 | E46-K50 WeakPolarHBondContact O-CB 3.45Å; E46-K50 PolarHBondContact O-N 3.24Å; E47-K50 WeakPolarHBondContact O-CB 3.39Å; E47-K50 PolarHBondContact O-N 2.93Å; Y48-K50 VanDerWaalsContact C-N 3.29Å; Y48-K50 PolarHBondContact O-N 2.96Å; K50-M52 VanDerWaalsContact C-N 3.34Å; K50-M52 PolarHBondContact O-N 3.36Å; K50-I53 PolarHBondContact O-N 3.23Å; K50-E54 WeakPolarHBondContact O-CB 3.47Å; K50-E54 PolarHBondContact O-N 2.66Å |
| 51 | Q | 82.5 | Confident | 81.3 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 176.5 | -72.6 | 175.9 | 11.3 | 0 | 0 | 112 | E47 Y48 I53 E54 E55 | E47-Q51 WeakPolarHBondContact O-CG 3.46Å; E47-Q51 PolarHBondContact O-N 2.87Å; Y48-Q51 PolarHBondContact O-N 2.87Å; Q51-I53 VanDerWaalsContact C-N 3.3Å; Q51-I53 PolarHBondContact O-N 3.06Å; Q51-E54 PolarHBondContact O-N 3.03Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 PolarHBondContact O-N 3.25Å |
| 52 | M | 86 | Confident | 81.9 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 39% | 0.389 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 177.2 | -73.2 | -63.6 | -57.7 | 0 | 0 | 112.7 | Y48 Q49 K50 K56 | Y48-M52 HydrophobicContact CD1-CG 4.36Å; Y48-M52 HydrophobicContact CD2-CG 4.44Å; Y48-M52 HydrophobicContact CE1-CG 3.92Å; Y48-M52 HydrophobicContact CE2-CG 4.01Å; Y48-M52 HydrophobicContact CE2-SD 4.17Å; Y48-M52 WeakPolarHBondContact O-CB 3.48Å; Y48-M52 VanDerWaalsContact O-CG 3.3Å; Y48-M52 WeakPolarHBondContact O-CG 3.45Å; Y48-M52 PolarHBondContact O-N 3.2Å; Q49-M52 PolarHBondContact O-N 3.34Å; K50-M52 VanDerWaalsContact C-N 3.34Å; K50-M52 PolarHBondContact O-N 3.36Å; M52-K56 VanDerWaalsContact O-CB 3.24Å; M52-K56 WeakPolarHBondContact O-CB 3.13Å; M52-K56 PolarHBondContact O-N 3.09Å |
| 53 | I | 85.9 | Confident | 82.6 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.5 | -43.9 | 175.8 | -68.3 | 166.3 | 0 | 0 | 0 | 110.3 | Q49 K50 Q51 K56 M57 | Q49-I53 VanDerWaalsContact O-CG1 3.29Å; Q49-I53 WeakPolarHBondContact O-CG1 3.48Å; Q49-I53 PolarHBondContact O-N 3.34Å; K50-I53 PolarHBondContact O-N 3.23Å; Q51-I53 VanDerWaalsContact C-N 3.3Å; Q51-I53 PolarHBondContact O-N 3.06Å; I53-K56 PolarHBondContact O-N 3.09Å; I53-M57 HydrophobicContact CG2-CG 4.35Å; I53-M57 HydrophobicContact CG2-SD 4.07Å; I53-M57 WeakPolarHBondContact O-CB 3.41Å; I53-M57 VanDerWaalsContact O-CG 3.29Å; I53-M57 WeakPolarHBondContact O-CG 3.44Å; I53-M57 PolarHBondContact O-N 3.4Å |
| 54 | E | 84.6 | Confident | 83.3 | Confident | 102 Ų | 102 | 96.8 Ų | 96.8 | 48% | 0.477 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -50.1 | 179.2 | -171.5 | 163.6 | -154.9 | 0 | 0 | 111.5 | K50 Q51 K56 M57 E58 | K50-E54 WeakPolarHBondContact O-CB 3.47Å; K50-E54 PolarHBondContact O-N 2.66Å; Q51-E54 PolarHBondContact O-N 3.03Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 3.5Å; E54-M57 WeakPolarHBondContact O-CB 3.25Å; E54-M57 PolarHBondContact O-N 2.98Å; E54-E58 WeakPolarHBondContact O-CG 3.47Å; E54-E58 PolarHBondContact O-N 2.96Å |
| 55 | E | 86.3 | Confident | 83.9 | Confident | 90 Ų | 90 | 98 Ų | 98 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 176.3 | -167 | -149.4 | 119.7 | 0 | 0 | 111.7 | Q51 R59 | Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 PolarHBondContact O-N 3.25Å; E55-R59 WeakPolarHBondContact O-CB 3.25Å; E55-R59 WeakPolarHBondContact O-CG 3.29Å; E55-R59 PolarHBondContact O-N 2.91Å; E55-R59 IonicContact OE1-CZ 3.09Å; E55-R59 IonicContact OE1-NE 3.19Å; E55-R59 PolarHBondContact OE1-NE 3.27Å; E55-R59 IonicContact OE1-NH2 3.99Å; E55-R59 PolarHBondContact OE1-NH2 2.99Å |
| 56 | K | 89.2 | Confident | 84.6 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 174.8 | -177.2 | -175.4 | 174.9 | -168.3 | 0 | 111.1 | M52 I53 E54 R59 D60 | M52-K56 VanDerWaalsContact O-CB 3.24Å; M52-K56 WeakPolarHBondContact O-CB 3.13Å; M52-K56 PolarHBondContact O-N 3.09Å; I53-K56 PolarHBondContact O-N 3.09Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 3.5Å; K56-R59 PolarHBondContact O-N 3.41Å; K56-D60 WeakPolarHBondContact O-CB 3.33Å; K56-D60 PolarHBondContact O-N 2.93Å |
| 57 | M | 83.1 | Confident | 85 | Confident | 130 Ų | 130 | 103.7 Ų | 103.7 | 64% | 0.64 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 178.3 | -75.6 | -176.3 | 65.4 | 0 | 0 | 111.7 | I53 E54 D60 A61 | I53-M57 HydrophobicContact CG2-CG 4.35Å; I53-M57 HydrophobicContact CG2-SD 4.07Å; I53-M57 WeakPolarHBondContact O-CB 3.41Å; I53-M57 VanDerWaalsContact O-CG 3.29Å; I53-M57 WeakPolarHBondContact O-CG 3.44Å; I53-M57 PolarHBondContact O-N 3.4Å; E54-M57 WeakPolarHBondContact O-CB 3.25Å; E54-M57 PolarHBondContact O-N 2.98Å; M57-D60 PolarHBondContact O-N 2.92Å; M57-A61 WeakPolarHBondContact O-CB 3.3Å; M57-A61 PolarHBondContact O-N 2.88Å |
| 58 | E | 84.8 | Confident | 85.3 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 176 | -72.1 | -177.8 | 169.4 | 0 | 0 | 111.8 | E54 A61 A62 | E54-E58 WeakPolarHBondContact O-CG 3.47Å; E54-E58 PolarHBondContact O-N 2.96Å; E58-A61 PolarHBondContact O-N 3.32Å; E58-A62 WeakPolarHBondContact O-CB 2.97Å; E58-A62 PolarHBondContact O-N 2.74Å |
| 59 | R | 86.9 | Confident | 85.7 | Confident | 105 Ų | 105 | 94.6 Ų | 94.6 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 175.5 | -77.4 | -166 | -80.9 | 100.4 | -5.1 | 111.7 | E55 K56 A61 A62 F63 | E55-R59 WeakPolarHBondContact O-CB 3.25Å; E55-R59 WeakPolarHBondContact O-CG 3.29Å; E55-R59 PolarHBondContact O-N 2.91Å; E55-R59 IonicContact OE1-CZ 3.09Å; E55-R59 IonicContact OE1-NE 3.19Å; E55-R59 PolarHBondContact OE1-NE 3.27Å; E55-R59 IonicContact OE1-NH2 3.99Å; E55-R59 PolarHBondContact OE1-NH2 2.99Å; K56-R59 PolarHBondContact O-N 3.41Å; R59-A61 VanDerWaalsContact C-N 3.28Å; R59-A61 PolarHBondContact O-N 2.85Å; R59-A62 PolarHBondContact O-N 3.01Å; R59-F63 HydrophobicContact CB-CD2 4.47Å; R59-F63 WeakPolarHBondContact O-CB 3.37Å; R59-F63 WeakPolarHBondContact O-CD2 3.42Å; R59-F63 PolarHBondContact O-N 3.21Å |
| 60 | D | 85.8 | Confident | 86.2 | Confident | 76 Ų | 76 | 98.7 Ų | 98.7 | 41% | 0.406 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | -178.8 | -72.1 | -13.7 | 0 | 0 | 0 | 111.1 | K56 M57 T64 | K56-D60 WeakPolarHBondContact O-CB 3.33Å; K56-D60 PolarHBondContact O-N 2.93Å; M57-D60 PolarHBondContact O-N 2.92Å; D60-T64 WeakPolarHBondContact O-CB 3.35Å; D60-T64 PolarHBondContact O-N 2.92Å; D60-T64 PolarHBondContact O-OG1 3.36Å |
| 61 | A | 83.8 | Confident | 86.4 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 49% | 0.488 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M57 E58 R59 F63 T64 Q65 | M57-A61 WeakPolarHBondContact O-CB 3.3Å; M57-A61 PolarHBondContact O-N 2.88Å; E58-A61 PolarHBondContact O-N 3.32Å; R59-A61 VanDerWaalsContact C-N 3.28Å; R59-A61 PolarHBondContact O-N 2.85Å; A61-F63 VanDerWaalsContact C-N 3.32Å; A61-F63 PolarHBondContact O-N 3.47Å; A61-T64 WeakPolarHBondContact O-CB 3.38Å; A61-T64 PolarHBondContact O-N 3.03Å; A61-T64 VanDerWaalsContact O-N 3.11Å; A61-Q65 PolarHBondContact O-N 3.38Å |
| 62 | A | 85.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E58 R59 K66 | E58-A62 WeakPolarHBondContact O-CB 2.97Å; E58-A62 PolarHBondContact O-N 2.74Å; R59-A62 PolarHBondContact O-N 3.01Å; A62-K66 WeakPolarHBondContact O-CB 3.38Å; A62-K66 WeakPolarHBondContact O-CG 3.27Å; A62-K66 PolarHBondContact O-N 3.18Å |
| 63 | F | 87.8 | Confident | 86.8 | Confident | 142 Ų | 142 | 85.1 Ų | 85.1 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 174.2 | -84.8 | -65 | 0 | 0 | 0 | 112.1 | R59 A61 K67 | R59-F63 HydrophobicContact CB-CD2 4.47Å; R59-F63 WeakPolarHBondContact O-CB 3.37Å; R59-F63 WeakPolarHBondContact O-CD2 3.42Å; R59-F63 PolarHBondContact O-N 3.21Å; A61-F63 VanDerWaalsContact C-N 3.32Å; A61-F63 PolarHBondContact O-N 3.47Å; F63-K67 WeakPolarHBondContact O-CB 3.33Å; F63-K67 PolarHBondContact O-N 2.97Å |
| 64 | T | 87 | Confident | 87.1 | Confident | 51 Ų | 51 | 83 Ų | 83 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | D60 A61 K67 A68 A96 | D60-T64 WeakPolarHBondContact O-CB 3.35Å; D60-T64 PolarHBondContact O-N 2.92Å; D60-T64 PolarHBondContact O-OG1 3.36Å; A61-T64 WeakPolarHBondContact O-CB 3.38Å; A61-T64 PolarHBondContact O-N 3.03Å; A61-T64 VanDerWaalsContact O-N 3.11Å; T64-K67 PolarHBondContact O-N 3.47Å; T64-A68 WeakPolarHBondContact O-CB 3.39Å; T64-A68 PolarHBondContact O-N 3.23Å; T64-A96 HydrophobicContact CG2-CB 4.09Å |
| 65 | Q | 85.8 | Confident | 87.4 | Confident | 113 Ų | 113 | 80 Ų | 80 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -54.8 | 176 | -170.5 | 178.3 | 13.1 | 0 | 0 | 111.7 | A61 K67 A68 E69 | A61-Q65 PolarHBondContact O-N 3.38Å; Q65-K67 PolarHBondContact O-N 3.19Å; Q65-A68 WeakPolarHBondContact O-CA 3.42Å; Q65-A68 WeakPolarHBondContact O-CB 3.37Å; Q65-A68 PolarHBondContact O-N 3.09Å; Q65-E69 WeakPolarHBondContact O-CG 3.42Å; Q65-E69 PolarHBondContact O-N 2.66Å |
| 66 | K | 87.3 | Confident | 87.5 | Confident | 141 Ų | 141 | 80.4 Ų | 80.4 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.3 | -35.2 | 178.6 | -73.3 | -177.1 | 177.8 | -175.8 | 0 | 113.2 | A62 R70 | A62-K66 WeakPolarHBondContact O-CB 3.38Å; A62-K66 WeakPolarHBondContact O-CG 3.27Å; A62-K66 PolarHBondContact O-N 3.18Å; K66-R70 WeakPolarHBondContact O-CB 3.41Å; K66-R70 PolarHBondContact O-N 3.47Å; K66-R70 VanDerWaalsContact O-N 3.1Å |
| 67 | K | 88.8 | Confident | 87.6 | Confident | 122 Ų | 122 | 79.2 Ų | 79.2 | 53% | 0.53 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 177.5 | -169.9 | 176.2 | -174.8 | -173.7 | 0 | 111.2 | F63 T64 Q65 A71 Q92 | F63-K67 WeakPolarHBondContact O-CB 3.33Å; F63-K67 PolarHBondContact O-N 2.97Å; T64-K67 PolarHBondContact O-N 3.47Å; Q65-K67 PolarHBondContact O-N 3.19Å; K67-A71 WeakPolarHBondContact O-CB 3.47Å; K67-A71 PolarHBondContact O-N 2.99Å; K67-Q92 HydrophobicContact CD-CG 4.3Å; K67-Q92 VanDerWaalsContact CE-CD 3.49Å; K67-Q92 HydrophobicContact CG-CG 4.26Å |
| 68 | A | 87.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T64 Q65 R70 A71 C72 Q92 A96 V100 | T64-A68 WeakPolarHBondContact O-CB 3.39Å; T64-A68 PolarHBondContact O-N 3.23Å; Q65-A68 WeakPolarHBondContact O-CA 3.42Å; Q65-A68 WeakPolarHBondContact O-CB 3.37Å; Q65-A68 PolarHBondContact O-N 3.09Å; A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 3.43Å; A68-A71 CarbonylContact O-C 3.48Å; A68-A71 WeakPolarHBondContact O-CA 3.33Å; A68-A71 WeakPolarHBondContact O-CB 3.5Å; A68-A71 PolarHBondContact O-N 2.99Å; A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 2.97Å; A68-Q92 WeakPolarHBondContact CB-O 3.37Å; A68-A96 HydrophobicContact CB-CB 3.31Å; A68-V100 HydrophobicContact CB-CB 4.38Å; A68-V100 HydrophobicContact CB-CG1 3.67Å; A68-V100 HydrophobicContact CB-CG2 3.71Å |
| 69 | E | 86.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 76.7 Ų | 76.7 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.5 | -45.5 | 176 | -65.2 | 170 | -173.7 | 0 | 0 | 111.1 | Q65 A71 C72 L73 V100 P103 | Q65-E69 WeakPolarHBondContact O-CG 3.42Å; Q65-E69 PolarHBondContact O-N 2.66Å; E69-A71 VanDerWaalsContact C-N 3.29Å; E69-A71 PolarHBondContact O-N 3.38Å; E69-C72 WeakPolarHBondContact O-CB 3.37Å; E69-C72 PolarHBondContact O-N 3.14Å; E69-L73 PolarHBondContact O-N 3.13Å; E69-V100 HydrophobicContact CG-CG1 4.35Å; E69-P103 HydrophobicContact CB-CG 3.85Å |
| 70 | R | 89.6 | Confident | 88.9 | Confident | 175 Ų | 175 | 79 Ų | 79 | 66% | 0.66 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.8 | -33.8 | 176.4 | -162.6 | -171.5 | 175.3 | -140 | -0.1 | 112.2 | K66 A68 R74 | K66-R70 WeakPolarHBondContact O-CB 3.41Å; K66-R70 PolarHBondContact O-N 3.47Å; K66-R70 VanDerWaalsContact O-N 3.1Å; A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 3.43Å; R70-R74 WeakPolarHBondContact O-CB 3.38Å; R70-R74 WeakPolarHBondContact O-CG 3.38Å; R70-R74 PolarHBondContact O-N 3.48Å; R70-R74 PolarHBondContact O-NH1 3.2Å; R70-R74 VanDerWaalsContact O-NH1 3.1Å |
| 71 | A | 89.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.3 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K67 A68 E69 L73 R74 V75 D89 Q92 I93 | K67-A71 WeakPolarHBondContact O-CB 3.47Å; K67-A71 PolarHBondContact O-N 2.99Å; A68-A71 CarbonylContact O-C 3.48Å; A68-A71 WeakPolarHBondContact O-CA 3.33Å; A68-A71 WeakPolarHBondContact O-CB 3.5Å; A68-A71 PolarHBondContact O-N 2.99Å; E69-A71 VanDerWaalsContact C-N 3.29Å; E69-A71 PolarHBondContact O-N 3.38Å; A71-L73 PolarHBondContact O-N 3.24Å; A71-R74 CarbonylContact O-C 3.51Å; A71-R74 WeakPolarHBondContact O-CA 3.3Å; A71-R74 WeakPolarHBondContact O-CB 3.47Å; A71-R74 PolarHBondContact O-N 2.99Å; A71-R74 VanDerWaalsContact O-N 3.13Å; A71-V75 WeakPolarHBondContact O-CG2 3.49Å; A71-V75 PolarHBondContact O-N 2.77Å; A71-D89 HydrophobicContact CB-CB 4.14Å; A71-Q92 HydrophobicContact CB-CB 3.8Å; A71-I93 HydrophobicContact CB-CD1 4.33Å; A71-I93 HydrophobicContact CB-CG1 3.86Å |
| 72 | C | 88.9 | Confident | 89.9 | Confident | 15 Ų | 15 | 90.8 Ų | 90.8 | 10% | 0.101 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 175 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | A68 E69 R74 V75 H76 I93 V100 | A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 2.97Å; E69-C72 WeakPolarHBondContact O-CB 3.37Å; E69-C72 PolarHBondContact O-N 3.14Å; C72-R74 VanDerWaalsContact C-N 3.32Å; C72-R74 PolarHBondContact O-N 2.86Å; C72-V75 PolarHBondContact O-N 3.35Å; C72-V75 VanDerWaalsContact O-N 3.14Å; C72-H76 PolarHBondContact O-N 2.9Å; C72-H76 PolarHBondContact O-ND1 3.42Å; C72-H76 PolarHBondContact SG-CE1 3.37Å; C72-I93 HydrophobicContact CB-CD1 4.33Å; C72-I93 HydrophobicContact CB-CG1 4.48Å; C72-V100 HydrophobicContact CB-CG1 3.95Å |
| 73 | L | 88.6 | Confident | 90.3 | Very high | 41 Ų | 41 | 93.3 Ų | 93.3 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 173.2 | -71.6 | 174.2 | 0 | 0 | 0 | 112.9 | E69 A71 V75 H76 L77 L102 P103 L106 | E69-L73 PolarHBondContact O-N 3.13Å; A71-L73 PolarHBondContact O-N 3.24Å; L73-V75 VanDerWaalsContact C-N 3.29Å; L73-V75 PolarHBondContact O-N 3.1Å; L73-H76 PolarHBondContact O-N 3.43Å; L73-L77 WeakPolarHBondContact O-CG 3.24Å; L73-L77 PolarHBondContact O-N 2.86Å; L73-L102 HydrophobicContact CD2-CD2 3.69Å; L73-L102 HydrophobicContact CD2-CG 3.72Å; L73-P103 HydrophobicContact CD1-CG 3.76Å; L73-P103 HydrophobicContact CG-CG 4.41Å; L73-L106 HydrophobicContact CD1-CD1 3.44Å; L73-L106 VanDerWaalsContact CD1-CD1 3.44Å; L73-L106 HydrophobicContact CD2-CD1 3.57Å; L73-L106 HydrophobicContact CG-CD1 4.12Å |
| 74 | R | 91.5 | Very high | 90.6 | Very high | 57 Ų | 57 | 91.8 Ų | 91.8 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 178.1 | -86 | -160 | -47.7 | -82.2 | 10.9 | 112.1 | R70 A71 C72 R78 D89 | R70-R74 WeakPolarHBondContact O-CB 3.38Å; R70-R74 WeakPolarHBondContact O-CG 3.38Å; R70-R74 PolarHBondContact O-N 3.48Å; R70-R74 PolarHBondContact O-NH1 3.2Å; R70-R74 VanDerWaalsContact O-NH1 3.1Å; A71-R74 CarbonylContact O-C 3.51Å; A71-R74 WeakPolarHBondContact O-CA 3.3Å; A71-R74 WeakPolarHBondContact O-CB 3.47Å; A71-R74 PolarHBondContact O-N 2.99Å; A71-R74 VanDerWaalsContact O-N 3.13Å; C72-R74 VanDerWaalsContact C-N 3.32Å; C72-R74 PolarHBondContact O-N 2.86Å; R74-R78 VanDerWaalsContact O-CG 3.29Å; R74-R78 WeakPolarHBondContact O-CG 3.38Å; R74-R78 PolarHBondContact O-N 2.98Å; R74-R78 PolarHBondContact O-NH1 2.95Å; R74-D89 IonicContact CZ-OD1 2.93Å; R74-D89 VanDerWaalsContact CZ-OD1 3.23Å; R74-D89 IonicContact CZ-OD2 2.66Å; R74-D89 VanDerWaalsContact NE-CG 3.3Å; R74-D89 IonicContact NE-OD1 2.8Å; R74-D89 PolarHBondContact NE-OD1 3.32Å; R74-D89 IonicContact NE-OD2 2.99Å; R74-D89 PolarHBondContact NE-OD2 3.1Å; R74-D89 VanDerWaalsContact NE-OD2 3.09Å; R74-D89 IonicContact NH2-OD1 3.32Å; R74-D89 PolarHBondContact NH2-OD1 3.01Å |
| 75 | V | 90.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 97.5 Ų | 97.5 | 22% | 0.224 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -69 | -49.3 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | A71 C72 L73 L77 R78 E79 D89 I93 | A71-V75 WeakPolarHBondContact O-CG2 3.49Å; A71-V75 PolarHBondContact O-N 2.77Å; C72-V75 PolarHBondContact O-N 3.35Å; C72-V75 VanDerWaalsContact O-N 3.14Å; L73-V75 VanDerWaalsContact C-N 3.29Å; L73-V75 PolarHBondContact O-N 3.1Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 2.89Å; V75-R78 WeakPolarHBondContact O-CB 3.24Å; V75-R78 PolarHBondContact O-N 3.32Å; V75-R78 VanDerWaalsContact O-N 3.09Å; V75-E79 PolarHBondContact O-N 2.68Å; V75-D89 HydrophobicContact CG2-CB 3.98Å; V75-I93 HydrophobicContact CG2-CD1 3.84Å |
| 76 | H | 89.7 | Confident | 91.1 | Very high | 99 Ų | 99 | 93.2 Ų | 93.2 | 46% | 0.458 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.9 | -44.1 | 178.4 | -78.6 | 84 | 0 | 0 | 0 | 112.7 | C72 L73 R78 E79 K80 | C72-H76 PolarHBondContact O-N 2.9Å; C72-H76 PolarHBondContact O-ND1 3.42Å; C72-H76 PolarHBondContact SG-CE1 3.37Å; L73-H76 PolarHBondContact O-N 3.43Å; H76-R78 PolarHBondContact O-N 3.18Å; H76-E79 PolarHBondContact O-N 2.97Å; H76-K80 WeakPolarHBondContact O-CB 3.41Å; H76-K80 PolarHBondContact O-N 3.49Å |
| 77 | L | 90.9 | Very high | 91.2 | Very high | 92 Ų | 92 | 93.8 Ų | 93.8 | 48% | 0.482 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 177.3 | -70.3 | 172.1 | 0 | 0 | 0 | 112 | L73 V75 E79 K80 Y81 | L73-L77 WeakPolarHBondContact O-CG 3.24Å; L73-L77 PolarHBondContact O-N 2.86Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 2.89Å; L77-E79 VanDerWaalsContact C-N 3.34Å; L77-K80 PolarHBondContact O-N 3.42Å; L77-Y81 HydrophobicContact CD2-CE2 4.1Å; L77-Y81 WeakPolarHBondContact O-CD2 3.2Å; L77-Y81 PolarHBondContact O-N 2.9Å; L77-Y81 VanDerWaalsContact O-N 3.07Å |
| 78 | R | 94.4 | Very high | 91.1 | Very high | 60 Ų | 60 | 94.3 Ų | 94.3 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 176.1 | -77.2 | -179.5 | 177.6 | 93.4 | -15 | 111.6 | R74 V75 H76 Y81 R82 L83 P84 D89 | R74-R78 VanDerWaalsContact O-CG 3.29Å; R74-R78 WeakPolarHBondContact O-CG 3.38Å; R74-R78 PolarHBondContact O-N 2.98Å; R74-R78 PolarHBondContact O-NH1 2.95Å; V75-R78 WeakPolarHBondContact O-CB 3.24Å; V75-R78 PolarHBondContact O-N 3.32Å; V75-R78 VanDerWaalsContact O-N 3.09Å; H76-R78 PolarHBondContact O-N 3.18Å; R78-Y81 CarbonylContact O-C 3.57Å; R78-Y81 PolarHBondContact O-N 3.48Å; R78-R82 CarbonylContact O-C 3.58Å; R78-R82 WeakPolarHBondContact O-CA 3.45Å; R78-R82 PolarHBondContact O-N 3.34Å; R78-L83 HydrophobicContact CB-CB 3.99Å; R78-L83 HydrophobicContact CG-CB 3.92Å; R78-L83 HydrophobicContact CG-CD1 4.28Å; R78-L83 PolarHBondContact O-N 3.39Å; R78-P84 VanDerWaalsContact CD-O 3.27Å; R78-P84 WeakPolarHBondContact CD-O 3.47Å; R78-D89 IonicContact CZ-OD2 2.74Å; R78-D89 IonicContact NH1-OD2 3.58Å; R78-D89 PolarHBondContact NH1-OD2 3.18Å; R78-D89 IonicContact NH2-OD2 3.23Å; R78-D89 PolarHBondContact NH2-OD2 2.74Å |
| 79 | E | 92.8 | Very high | 91 | Very high | 146 Ų | 146 | 94.6 Ų | 94.6 | 68% | 0.682 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.2 | -48.2 | 175.7 | -175.6 | 168.6 | -166.6 | 0 | 0 | 111.6 | V75 H76 L77 Y81 R82 | V75-E79 PolarHBondContact O-N 2.68Å; H76-E79 PolarHBondContact O-N 2.97Å; L77-E79 VanDerWaalsContact C-N 3.34Å; E79-Y81 VanDerWaalsContact C-N 3.26Å; E79-Y81 PolarHBondContact O-N 3.09Å; E79-R82 PolarHBondContact O-N 3.27Å |
| 80 | K | 95.2 | Very high | 91 | Very high | 152 Ų | 152 | 96.1 Ų | 96.1 | 66% | 0.661 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -54.2 | -41.2 | 177.9 | -175.3 | 177 | -178 | 179.1 | 0 | 112.7 | H76 L77 | H76-K80 WeakPolarHBondContact O-CB 3.41Å; H76-K80 PolarHBondContact O-N 3.49Å; L77-K80 PolarHBondContact O-N 3.42Å |
| 81 | Y | 96.3 | Very high | 90.9 | Very high | 146 Ų | 146 | 92 Ų | 92 | 57% | 0.573 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 10.3 | -179.2 | -60.8 | -66 | 0 | 0 | 0 | 114.1 | L77 R78 E79 L83 | L77-Y81 HydrophobicContact CD2-CE2 4.1Å; L77-Y81 WeakPolarHBondContact O-CD2 3.2Å; L77-Y81 PolarHBondContact O-N 2.9Å; L77-Y81 VanDerWaalsContact O-N 3.07Å; R78-Y81 CarbonylContact O-C 3.57Å; R78-Y81 PolarHBondContact O-N 3.48Å; E79-Y81 VanDerWaalsContact C-N 3.26Å; E79-Y81 PolarHBondContact O-N 3.09Å; Y81-L83 PolarHBondContact O-N 3.25Å |
| 82 | R | 93.6 | Very high | 90.7 | Very high | 237 Ų | 237 | 93.7 Ų | 93.7 | 89% | 0.894 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.1 | -179.1 | -55.9 | -177.9 | 177.5 | -174.6 | -1 | 114 | R78 E79 | R78-R82 CarbonylContact O-C 3.58Å; R78-R82 WeakPolarHBondContact O-CA 3.45Å; R78-R82 PolarHBondContact O-N 3.34Å; E79-R82 PolarHBondContact O-N 3.27Å |
| 83 | L | 94.4 | Very high | 90.5 | Very high | 98 Ų | 98 | 94.5 Ų | 94.5 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 152.6 | 174.6 | -62.9 | 173.8 | 0 | 0 | 0 | 110.8 | R78 Y81 | R78-L83 HydrophobicContact CB-CB 3.99Å; R78-L83 HydrophobicContact CG-CB 3.92Å; R78-L83 HydrophobicContact CG-CD1 4.28Å; R78-L83 PolarHBondContact O-N 3.39Å; Y81-L83 PolarHBondContact O-N 3.25Å |
| 84 | P | 94 | Very high | 90.2 | Very high | 109 Ų | 109 | 98.5 Ų | 98.5 | 71% | 0.708 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 138.8 | 175.6 | -24 | 33.9 | 0 | 0 | 0 | 112.3 | R78 | R78-P84 VanDerWaalsContact CD-O 3.27Å; R78-P84 WeakPolarHBondContact CD-O 3.47Å |
| 85 | K | 91.6 | Very high | 89.7 | Confident | 171 Ų | 171 | 102.8 Ų | 102.8 | 74% | 0.743 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 153.6 | 176.3 | -63.8 | -170.9 | 176.9 | -169.4 | 0 | 111.4 | E90 | K85-E90 WeakPolarHBondContact CD-OE1 3.33Š|
| 86 | S | 90.5 | Very high | 89.1 | Confident | 24 Ų | 24 | 103 Ų | 103 | 17% | 0.168 | 49% | 0.489 | C | S | . | . | trans | -118.1 | 109.6 | -179.6 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | M88 D89 E90 | S86-M88 PolarHBondContact O-N 2.87Å; S86-D89 WeakPolarHBondContact O-CB 3.36Å; S86-D89 PolarHBondContact O-N 3.03Å; S86-E90 PolarHBondContact O-N 3.17Å | ||
| 87 | E | 89.4 | Confident | 88.1 | Confident | 152 Ų | 152 | 99.9 Ų | 99.9 | 71% | 0.71 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57 | -33.7 | 178.2 | -62.6 | 179.7 | 176.4 | 0 | 0 | 112.1 | D89 E90 N91 | E87-D89 PolarHBondContact O-N 3.47Å; E87-E90 PolarHBondContact O-N 3.43Å; E87-N91 WeakPolarHBondContact O-CB 3.47Å; E87-N91 PolarHBondContact O-N 3.02Å; E87-N91 PolarHBondContact O-ND2 3.44Å |
| 88 | M | 87.8 | Confident | 86.6 | Confident | 134 Ų | 134 | 103.1 Ų | 103.1 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -29.4 | 175.7 | -69.3 | -155 | -65.7 | 0 | 0 | 113.6 | S86 Q92 | S86-M88 PolarHBondContact O-N 2.87Å; M88-Q92 VanDerWaalsContact O-CG 3.27Å; M88-Q92 WeakPolarHBondContact O-CG 3.39Å; M88-Q92 PolarHBondContact O-N 3.42Å; M88-Q92 PolarHBondContact O-NE2 3.01Å |
| 89 | D | 86.4 | Confident | 85.2 | Confident | 6 Ų | 6 | 107.1 Ų | 107.1 | 3% | 0.032 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -81.8 | -39.7 | 179.6 | -66.6 | -16.5 | 0 | 0 | 0 | 109.9 | A71 R74 V75 R78 S86 E87 N91 Q92 I93 | A71-D89 HydrophobicContact CB-CB 4.14Å; R74-D89 IonicContact CZ-OD1 2.93Å; R74-D89 VanDerWaalsContact CZ-OD1 3.23Å; R74-D89 IonicContact CZ-OD2 2.66Å; R74-D89 VanDerWaalsContact NE-CG 3.3Å; R74-D89 IonicContact NE-OD1 2.8Å; R74-D89 PolarHBondContact NE-OD1 3.32Å; R74-D89 IonicContact NE-OD2 2.99Å; R74-D89 PolarHBondContact NE-OD2 3.1Å; R74-D89 VanDerWaalsContact NE-OD2 3.09Å; R74-D89 IonicContact NH2-OD1 3.32Å; R74-D89 PolarHBondContact NH2-OD1 3.01Å; V75-D89 HydrophobicContact CG2-CB 3.98Å; R78-D89 IonicContact CZ-OD2 2.74Å; R78-D89 IonicContact NH1-OD2 3.58Å; R78-D89 PolarHBondContact NH1-OD2 3.18Å; R78-D89 IonicContact NH2-OD2 3.23Å; R78-D89 PolarHBondContact NH2-OD2 2.74Å; S86-D89 WeakPolarHBondContact O-CB 3.36Å; S86-D89 PolarHBondContact O-N 3.03Å; E87-D89 PolarHBondContact O-N 3.47Å; D89-N91 VanDerWaalsContact C-N 3.34Å; D89-N91 PolarHBondContact O-N 2.91Å; D89-Q92 PolarHBondContact O-N 3.32Å; D89-I93 WeakPolarHBondContact O-CG1 3.49Å; D89-I93 PolarHBondContact O-N 2.97Å; D89-I93 VanDerWaalsContact O-N 3.09Å |
| 90 | E | 86.1 | Confident | 84.1 | Confident | 67 Ų | 67 | 101 Ų | 101 | 31% | 0.313 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 173.1 | -66.2 | 178.7 | 179.7 | 0 | 0 | 111.4 | K85 S86 E87 Q92 I93 Q94 | K85-E90 WeakPolarHBondContact CD-OE1 3.33Å; S86-E90 PolarHBondContact O-N 3.17Å; E87-E90 PolarHBondContact O-N 3.43Å; E90-Q92 VanDerWaalsContact C-N 3.32Å; E90-Q92 PolarHBondContact O-N 2.94Å; E90-I93 PolarHBondContact O-N 3.18Å; E90-Q94 WeakPolarHBondContact O-CG 3.5Å; E90-Q94 PolarHBondContact O-N 3.42Å |
| 91 | N | 86.8 | Confident | 82.7 | Confident | 88 Ų | 88 | 98.7 Ų | 98.7 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.1 | -69.1 | -23.5 | 0 | 0 | 0 | 112.4 | E87 D89 I93 Q94 M95 | E87-N91 WeakPolarHBondContact O-CB 3.47Å; E87-N91 PolarHBondContact O-N 3.02Å; E87-N91 PolarHBondContact O-ND2 3.44Å; D89-N91 VanDerWaalsContact C-N 3.34Å; D89-N91 PolarHBondContact O-N 2.91Å; N91-I93 VanDerWaalsContact C-N 3.32Å; N91-Q94 PolarHBondContact O-N 3.41Å; N91-M95 WeakPolarHBondContact O-CB 3.39Å; N91-M95 VanDerWaalsContact O-CG 3.24Å; N91-M95 WeakPolarHBondContact O-CG 3.47Å; N91-M95 PolarHBondContact O-N 3.23Å |
| 92 | Q | 85.6 | Confident | 81.4 | Confident | 36 Ų | 36 | 95.3 Ų | 95.3 | 17% | 0.168 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 178.4 | -77.4 | 168.1 | 42.2 | 0 | 0 | 112.4 | K67 A68 A71 M88 D89 E90 | K67-Q92 HydrophobicContact CD-CG 4.3Å; K67-Q92 VanDerWaalsContact CE-CD 3.49Å; K67-Q92 HydrophobicContact CG-CG 4.26Å; A68-Q92 WeakPolarHBondContact CB-O 3.37Å; A71-Q92 HydrophobicContact CB-CB 3.8Å; M88-Q92 VanDerWaalsContact O-CG 3.27Å; M88-Q92 WeakPolarHBondContact O-CG 3.39Å; M88-Q92 PolarHBondContact O-N 3.42Å; M88-Q92 PolarHBondContact O-NE2 3.01Å; D89-Q92 PolarHBondContact O-N 3.32Å; E90-Q92 VanDerWaalsContact C-N 3.32Å; E90-Q92 PolarHBondContact O-N 2.94Å |
| 93 | I | 84.4 | Confident | 80.7 | Confident | 32 Ų | 32 | 85 Ų | 85 | 16% | 0.164 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.8 | -51 | 174.7 | -63.8 | 164 | 0 | 0 | 0 | 109.2 | A71 C72 V75 D89 E90 N91 M95 A96 G97 V100 | A71-I93 HydrophobicContact CB-CD1 4.33Å; A71-I93 HydrophobicContact CB-CG1 3.86Å; C72-I93 HydrophobicContact CB-CD1 4.33Å; C72-I93 HydrophobicContact CB-CG1 4.48Å; V75-I93 HydrophobicContact CG2-CD1 3.84Å; D89-I93 WeakPolarHBondContact O-CG1 3.49Å; D89-I93 PolarHBondContact O-N 2.97Å; D89-I93 VanDerWaalsContact O-N 3.09Å; E90-I93 PolarHBondContact O-N 3.18Å; N91-I93 VanDerWaalsContact C-N 3.32Å; I93-M95 PolarHBondContact O-N 3.28Å; I93-M95 VanDerWaalsContact O-N 3.17Å; I93-A96 PolarHBondContact O-N 3.35Å; I93-G97 PolarHBondContact O-N 3.49Å; I93-G97 VanDerWaalsContact O-O 3.04Å; I93-V100 HydrophobicContact CG2-CB 4.33Å; I93-V100 HydrophobicContact CG2-CG2 4.26Å |
| 94 | Q | 83.6 | Confident | 79.7 | Confident | 126 Ų | 126 | 86 Ų | 86 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.2 | -33.4 | 179.2 | -70.9 | 175.1 | 7.7 | 0 | 0 | 113.5 | E90 N91 A96 G97 | E90-Q94 WeakPolarHBondContact O-CG 3.5Å; E90-Q94 PolarHBondContact O-N 3.42Å; N91-Q94 PolarHBondContact O-N 3.41Å; Q94-A96 VanDerWaalsContact C-N 3.28Å; Q94-A96 PolarHBondContact O-N 3.25Å; Q94-G97 PolarHBondContact O-N 3.31Å |
| 95 | M | 80.8 | Confident | 78.8 | Confident | 147 Ų | 147 | 86.8 Ų | 86.8 | 72% | 0.724 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.5 | -25.1 | 177.7 | -78.8 | -175.5 | 75.1 | 0 | 0 | 114.1 | N91 I93 | N91-M95 WeakPolarHBondContact O-CB 3.39Å; N91-M95 VanDerWaalsContact O-CG 3.24Å; N91-M95 WeakPolarHBondContact O-CG 3.47Å; N91-M95 PolarHBondContact O-N 3.23Å; I93-M95 PolarHBondContact O-N 3.28Å; I93-M95 VanDerWaalsContact O-N 3.17Å |
| 96 | A | 76.6 | Confident | 78 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -92.3 | -7.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T64 A68 I93 Q94 V100 | T64-A96 HydrophobicContact CG2-CB 4.09Å; A68-A96 HydrophobicContact CB-CB 3.31Å; I93-A96 PolarHBondContact O-N 3.35Å; Q94-A96 VanDerWaalsContact C-N 3.28Å; Q94-A96 PolarHBondContact O-N 3.25Å; A96-V100 HydrophobicContact CB-CG2 3.8Å |
| 97 | G | 69.9 | Low | 77.3 | Confident | 33 Ų | 33 | 86.6 Ų | 86.6 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | trans | 95.7 | 171.5 | -169 | 0 | 0 | 0 | 0 | 0 | 112.1 | I93 Q94 D99 V100 | I93-G97 PolarHBondContact O-N 3.49Å; I93-G97 VanDerWaalsContact O-O 3.04Å; Q94-G97 PolarHBondContact O-N 3.31Å; G97-D99 PolarHBondContact O-N 3.19Å; G97-V100 VanDerWaalsContact O-CG2 3.28Å; G97-V100 WeakPolarHBondContact O-CG2 3.47Å | ||
| 98 | D | 58.9 | Low | 76.8 | Confident | 160 Ų | 160 | 85.3 Ų | 85.3 | 86% | 0.856 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -73.6 | -12.1 | -179.6 | -91.4 | -15.7 | 0 | 0 | 0 | 113.5 | V100 | D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 3.07Å; D98-V100 VanDerWaalsContact O-N 3.15Å |
| 99 | D | 65.6 | Low | 76.3 | Confident | 145 Ų | 145 | 83.6 Ų | 83.6 | 78% | 0.775 | 43% | 0.429 | S | S | * | . | trans | -92.9 | 63.6 | -175.1 | -147.3 | 24.8 | 0 | 0 | 0 | 110.8 | G97 | G97-D99 PolarHBondContact O-N 3.19Š| ||
| 100 | V | 68.4 | Low | 75.8 | Confident | 18 Ų | 18 | 87 Ų | 87 | 11% | 0.109 | 45% | 0.45 | C | S | . | . | trans | -113.9 | 93.9 | -178.4 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | A68 E69 C72 I93 A96 G97 D98 | A68-V100 HydrophobicContact CB-CB 4.38Å; A68-V100 HydrophobicContact CB-CG1 3.67Å; A68-V100 HydrophobicContact CB-CG2 3.71Å; E69-V100 HydrophobicContact CG-CG1 4.35Å; C72-V100 HydrophobicContact CB-CG1 3.95Å; I93-V100 HydrophobicContact CG2-CB 4.33Å; I93-V100 HydrophobicContact CG2-CG2 4.26Å; A96-V100 HydrophobicContact CB-CG2 3.8Å; G97-V100 VanDerWaalsContact O-CG2 3.28Å; G97-V100 WeakPolarHBondContact O-CG2 3.47Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 3.07Å; D98-V100 VanDerWaalsContact O-N 3.15Å | ||
| 101 | D | 67 | Low | 75.2 | Confident | 102 Ų | 102 | 87.5 Ų | 87.5 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 170.4 | 177.3 | -74.9 | -36.4 | 0 | 0 | 0 | 112.9 | ||
| 102 | L | 68.1 | Low | 74.5 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 143.7 | 168.6 | -98.7 | 87.9 | 0 | 0 | 0 | 110.1 | L73 E104 L106 | L73-L102 HydrophobicContact CD2-CD2 3.69Å; L73-L102 HydrophobicContact CD2-CG 3.72Å; L102-E104 PolarHBondContact O-N 3.08Å; L102-L106 HydrophobicContact CD2-CB 4.48Å; L102-L106 HydrophobicContact CD2-CD1 4.49Å |
| 103 | P | 78.4 | Confident | 73.7 | Confident | 22 Ų | 22 | 90.9 Ų | 90.9 | 14% | 0.143 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -50 | 135.7 | 174.4 | -24.9 | 30 | 0 | 0 | 0 | 112.5 | E69 L73 D105 L106 R107 | E69-P103 HydrophobicContact CB-CG 3.85Å; L73-P103 HydrophobicContact CD1-CG 3.76Å; L73-P103 HydrophobicContact CG-CG 4.41Å; P103-D105 PolarHBondContact O-N 3.15Å; P103-D105 VanDerWaalsContact O-N 3.15Å; P103-L106 HydrophobicContact CB-CG 4.46Å; P103-L106 HydrophobicContact CG-CD1 4.23Å; P103-L106 WeakPolarHBondContact O-CB 3.43Å; P103-L106 PolarHBondContact O-N 3.37Å; P103-R107 PolarHBondContact O-N 2.72Å; P103-R107 VanDerWaalsContact O-N 3.09Å |
| 104 | E | 73.3 | Confident | 72.9 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -53.9 | -36.5 | -178.5 | -72.5 | -63 | 155.1 | 0 | 0 | 113 | L102 L106 R107 K108 | L102-E104 PolarHBondContact O-N 3.08Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 2.96Å; E104-R107 WeakPolarHBondContact O-CB 3.35Å; E104-R107 PolarHBondContact O-N 3.11Å; E104-R107 IonicContact OE1-NH1 3.06Å; E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 PolarHBondContact O-N 3.18Å |
| 105 | D | 76.1 | Confident | 72.1 | Confident | 125 Ų | 125 | 94.9 Ų | 94.9 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | 177.3 | -65 | -23.5 | 0 | 0 | 0 | 112.3 | P103 M109 | P103-D105 PolarHBondContact O-N 3.15Å; P103-D105 VanDerWaalsContact O-N 3.15Å; D105-M109 WeakPolarHBondContact O-CE 3.28Å; D105-M109 PolarHBondContact O-N 2.93Å; D105-M109 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 74.4 | Confident | 71.2 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 31% | 0.309 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.9 | -39.2 | 177 | -66.2 | -178.2 | 0 | 0 | 0 | 111.1 | L73 L102 P103 E104 K108 M109 V110 | L73-L106 HydrophobicContact CD1-CD1 3.44Å; L73-L106 VanDerWaalsContact CD1-CD1 3.44Å; L73-L106 HydrophobicContact CD2-CD1 3.57Å; L73-L106 HydrophobicContact CG-CD1 4.12Å; L102-L106 HydrophobicContact CD2-CB 4.48Å; L102-L106 HydrophobicContact CD2-CD1 4.49Å; P103-L106 HydrophobicContact CB-CG 4.46Å; P103-L106 HydrophobicContact CG-CD1 4.23Å; P103-L106 WeakPolarHBondContact O-CB 3.43Å; P103-L106 PolarHBondContact O-N 3.37Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 2.96Å; L106-K108 VanDerWaalsContact C-N 3.28Å; L106-K108 PolarHBondContact O-N 3.23Å; L106-M109 HydrophobicContact CD2-CE 3.6Å; L106-M109 PolarHBondContact O-N 3.32Å; L106-V110 WeakPolarHBondContact O-CG2 3.37Å; L106-V110 PolarHBondContact O-N 3.37Å |
| 107 | R | 75.3 | Confident | 70.4 | Confident | 133 Ų | 133 | 96.1 Ų | 96.1 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 175.8 | -170.9 | -178.2 | -178 | 179.1 | 4.2 | 111 | P103 E104 V110 N111 | P103-R107 PolarHBondContact O-N 2.72Å; P103-R107 VanDerWaalsContact O-N 3.09Å; E104-R107 WeakPolarHBondContact O-CB 3.35Å; E104-R107 PolarHBondContact O-N 3.11Å; E104-R107 IonicContact OE1-NH1 3.06Å; R107-V110 PolarHBondContact O-N 2.87Å; R107-N111 PolarHBondContact O-N 3.04Å; R107-N111 VanDerWaalsContact O-N 3.13Å; R107-N111 PolarHBondContact O-ND2 3.38Å; R107-N111 PolarHBondContact O-OD1 2.85Å |
| 108 | K | 79.6 | Confident | 70 | Confident | 125 Ų | 125 | 100.8 Ų | 100.8 | 54% | 0.543 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 176.8 | -177.2 | 176 | 169.3 | -178.2 | 0 | 112.2 | E104 L106 V110 N111 E112 | E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 PolarHBondContact O-N 3.18Å; L106-K108 VanDerWaalsContact C-N 3.28Å; L106-K108 PolarHBondContact O-N 3.23Å; K108-V110 VanDerWaalsContact C-N 3.3Å; K108-V110 PolarHBondContact O-N 3.15Å; K108-N111 PolarHBondContact O-N 3.44Å; K108-E112 WeakPolarHBondContact CE-OE1 3.44Å; K108-E112 IonicContact NZ-OE1 3.35Å; K108-E112 WeakPolarHBondContact O-CG 3.48Å; K108-E112 PolarHBondContact O-N 2.95Å |
| 109 | M | 76.4 | Confident | 70.1 | Confident | 98 Ų | 98 | 98.8 Ų | 98.8 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 177.9 | -76.1 | -176.5 | -76 | 0 | 0 | 112.5 | D105 L106 N111 E112 D113 | D105-M109 WeakPolarHBondContact O-CE 3.28Å; D105-M109 PolarHBondContact O-N 2.93Å; D105-M109 VanDerWaalsContact O-N 3.15Å; L106-M109 HydrophobicContact CD2-CE 3.6Å; L106-M109 PolarHBondContact O-N 3.32Å; M109-N111 VanDerWaalsContact C-N 3.34Å; M109-N111 PolarHBondContact O-N 3.45Å; M109-E112 PolarHBondContact O-N 3.13Å; M109-D113 WeakPolarHBondContact O-CB 3.49Å; M109-D113 PolarHBondContact O-N 3.06Å |
| 110 | V | 75.6 | Confident | 69.8 | Low | 77 Ų | 77 | 96.4 Ų | 96.4 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | L106 R107 K108 Q114 | L106-V110 WeakPolarHBondContact O-CG2 3.37Å; L106-V110 PolarHBondContact O-N 3.37Å; R107-V110 PolarHBondContact O-N 2.87Å; K108-V110 VanDerWaalsContact C-N 3.3Å; K108-V110 PolarHBondContact O-N 3.15Å; V110-Q114 PolarHBondContact O-N 3.09Å; V110-Q114 VanDerWaalsContact O-N 3.16Å |
| 111 | N | 74.3 | Confident | 69.5 | Low | 77 Ų | 77 | 101.1 Ų | 101.1 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 177.7 | -66.4 | -16.5 | 0 | 0 | 0 | 111.5 | R107 K108 M109 Q114 E115 | R107-N111 PolarHBondContact O-N 3.04Å; R107-N111 VanDerWaalsContact O-N 3.13Å; R107-N111 PolarHBondContact O-ND2 3.38Å; R107-N111 PolarHBondContact O-OD1 2.85Å; K108-N111 PolarHBondContact O-N 3.44Å; M109-N111 VanDerWaalsContact C-N 3.34Å; M109-N111 PolarHBondContact O-N 3.45Å; N111-Q114 PolarHBondContact O-N 3.39Å; N111-E115 PolarHBondContact O-N 3.47Å; N111-E115 VanDerWaalsContact O-N 3.13Å |
| 112 | E | 71.3 | Confident | 69.5 | Low | 90 Ų | 90 | 99.1 Ų | 99.1 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.9 | -70.3 | 173.4 | 170.3 | 0 | 0 | 111.4 | K108 M109 Q114 E115 E116 | K108-E112 WeakPolarHBondContact CE-OE1 3.44Å; K108-E112 IonicContact NZ-OE1 3.35Å; K108-E112 WeakPolarHBondContact O-CG 3.48Å; K108-E112 PolarHBondContact O-N 2.95Å; M109-E112 PolarHBondContact O-N 3.13Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.48Å; E112-E115 PolarHBondContact O-N 3.15Å; E112-E116 PolarHBondContact O-N 3.37Å; E112-E116 VanDerWaalsContact O-N 3.14Å |
| 113 | D | 70.4 | Confident | 69.6 | Low | 105 Ų | 105 | 101.6 Ų | 101.6 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -35.5 | 175.4 | -77.5 | -9.5 | 0 | 0 | 0 | 112.5 | M109 E117 | M109-D113 WeakPolarHBondContact O-CB 3.49Å; M109-D113 PolarHBondContact O-N 3.06Å; D113-E117 WeakPolarHBondContact O-CG 3.49Å; D113-E117 PolarHBondContact O-N 3.38Å |
| 114 | Q | 67.3 | Low | 69.2 | Low | 112 Ų | 112 | 107.2 Ų | 107.2 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 176.5 | -83.5 | -179.5 | 5.1 | 0 | 0 | 112.3 | V110 N111 E112 E116 E117 E118 | V110-Q114 PolarHBondContact O-N 3.09Å; V110-Q114 VanDerWaalsContact O-N 3.16Å; N111-Q114 PolarHBondContact O-N 3.39Å; E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.48Å; Q114-E116 VanDerWaalsContact C-N 3.35Å; Q114-E116 PolarHBondContact O-N 3Å; Q114-E117 PolarHBondContact O-N 3.19Å; Q114-E118 WeakPolarHBondContact O-CB 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.39Å; Q114-E118 PolarHBondContact O-N 3.16Å |
| 115 | E | 66.3 | Low | 68.9 | Low | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 177.4 | -69.3 | 178.3 | -177.2 | 0 | 0 | 111.3 | N111 E112 E117 E118 D119 | N111-E115 PolarHBondContact O-N 3.47Å; N111-E115 VanDerWaalsContact O-N 3.13Å; E112-E115 PolarHBondContact O-N 3.15Å; E115-E117 PolarHBondContact O-N 3Å; E115-E118 PolarHBondContact O-N 3.14Å; E115-D119 PolarHBondContact O-N 3.34Å |
| 116 | E | 62 | Low | 68.4 | Low | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 177.6 | -73.8 | -166.3 | -178 | 0 | 0 | 113.7 | E112 Q114 K120 | E112-E116 PolarHBondContact O-N 3.37Å; E112-E116 VanDerWaalsContact O-N 3.14Å; Q114-E116 VanDerWaalsContact C-N 3.35Å; Q114-E116 PolarHBondContact O-N 3Å; E116-K120 WeakPolarHBondContact O-CE 3.37Å; E116-K120 WeakPolarHBondContact O-CG 3.49Å; E116-K120 PolarHBondContact O-N 2.93Å |
| 117 | E | 60.5 | Low | 68.2 | Low | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76 | -37.9 | 176.9 | -69 | -62.7 | 119 | 0 | 0 | 111.8 | D113 Q114 E115 D119 K120 D121 | D113-E117 WeakPolarHBondContact O-CG 3.49Å; D113-E117 PolarHBondContact O-N 3.38Å; Q114-E117 PolarHBondContact O-N 3.19Å; E115-E117 PolarHBondContact O-N 3Å; E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.44Å; E117-K120 PolarHBondContact O-N 3.13Å; E117-K120 IonicContact OE1-NZ 3.73Å; E117-K120 PolarHBondContact OE1-NZ 3.49Å; E117-D121 WeakPolarHBondContact O-CB 3.12Å; E117-D121 PolarHBondContact O-N 3.22Å |
| 118 | E | 60.2 | Low | 67.8 | Low | 130 Ų | 130 | 101.8 Ų | 101.8 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 173.6 | -76.1 | -176.7 | -174.5 | 0 | 0 | 111.9 | Q114 E115 K120 D121 S122 | Q114-E118 WeakPolarHBondContact O-CB 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.39Å; Q114-E118 PolarHBondContact O-N 3.16Å; E115-E118 PolarHBondContact O-N 3.14Å; E118-K120 VanDerWaalsContact C-N 3.31Å; E118-K120 PolarHBondContact O-N 3.35Å; E118-D121 PolarHBondContact O-N 3.41Å; E118-S122 WeakPolarHBondContact O-CB 3.47Å; E118-S122 PolarHBondContact O-N 3.43Å |
| 119 | D | 60.7 | Low | 67.1 | Low | 119 Ų | 119 | 100.6 Ų | 100.6 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -33.4 | 176.3 | -84.3 | -19.2 | 0 | 0 | 0 | 113 | E115 E117 | E115-D119 PolarHBondContact O-N 3.34Å; E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.44Å |
| 120 | K | 61.1 | Low | 66.5 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -76.3 | -39.6 | 176.4 | -69.1 | 170.8 | -156.4 | 157.7 | 0 | 112.4 | E116 E117 E118 S122 | E116-K120 WeakPolarHBondContact O-CE 3.37Å; E116-K120 WeakPolarHBondContact O-CG 3.49Å; E116-K120 PolarHBondContact O-N 2.93Å; E117-K120 PolarHBondContact O-N 3.13Å; E117-K120 IonicContact OE1-NZ 3.73Å; E117-K120 PolarHBondContact OE1-NZ 3.49Å; E118-K120 VanDerWaalsContact C-N 3.31Å; E118-K120 PolarHBondContact O-N 3.35Å; K120-S122 VanDerWaalsContact C-N 3.31Å |
| 121 | D | 61.1 | Low | 65.9 | Low | 116 Ų | 116 | 103.7 Ų | 103.7 | 62% | 0.62 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.7 | -19.3 | 178 | -81.2 | -17.9 | 0 | 0 | 0 | 112.7 | E117 E118 Q126 | E117-D121 WeakPolarHBondContact O-CB 3.12Å; E117-D121 PolarHBondContact O-N 3.22Å; E118-D121 PolarHBondContact O-N 3.41Å; D121-Q126 PolarHBondContact O-NE2 3.04Å |
| 122 | S | 67.6 | Low | 65.4 | Low | 60 Ų | 60 | 106.3 Ų | 106.3 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -62.6 | 146 | 174.3 | -159.6 | 0 | 0 | 0 | 0 | 111 | E118 K120 L124 G125 Q126 | E118-S122 WeakPolarHBondContact O-CB 3.47Å; E118-S122 PolarHBondContact O-N 3.43Å; K120-S122 VanDerWaalsContact C-N 3.31Å; S122-L124 PolarHBondContact O-N 3.46Å; S122-G125 PolarHBondContact O-N 3.42Å; S122-Q126 PolarHBondContact O-N 3.06Å |
| 123 | I | 69.2 | Low | 65.1 | Low | 128 Ų | 128 | 106.3 Ų | 106.3 | 66% | 0.656 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -52.5 | -32.4 | -177.3 | -59.6 | 175.4 | 0 | 0 | 0 | 111.2 | I127 | I123-I127 HydrophobicContact CG2-CD1 4.04Å; I123-I127 WeakPolarHBondContact O-CD1 3.43Å; I123-I127 WeakPolarHBondContact O-CG1 3.34Å; I123-I127 PolarHBondContact O-N 3.42Å; I123-I127 VanDerWaalsContact O-N 3.09Å |
| 124 | L | 71.4 | Confident | 65.1 | Low | 140 Ų | 140 | 106.1 Ų | 106.1 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.5 | -42.8 | 177.4 | -147.5 | 92.6 | 0 | 0 | 0 | 112.6 | S122 I127 Q128 | S122-L124 PolarHBondContact O-N 3.46Å; L124-I127 PolarHBondContact O-N 2.89Å; L124-Q128 PolarHBondContact O-N 3.06Å |
| 125 | G | 65.7 | Low | 65.5 | Low | 9 Ų | 9 | 107.2 Ų | 107.2 | 9% | 0.093 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -68.1 | -37 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S122 I127 Q128 N129 | S122-G125 PolarHBondContact O-N 3.42Å; G125-I127 PolarHBondContact O-N 3.29Å; G125-Q128 PolarHBondContact O-N 3.49Å; G125-N129 PolarHBondContact O-N 2.82Å; G125-N129 PolarHBondContact O-ND2 2.97Å |
| 126 | Q | 66.8 | Low | 65.9 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 171.3 | -68.3 | -178.5 | -6.2 | 0 | 0 | 112.4 | D121 S122 N129 L130 | D121-Q126 PolarHBondContact O-NE2 3.04Å; S122-Q126 PolarHBondContact O-N 3.06Å; Q126-N129 PolarHBondContact O-N 2.98Å; Q126-L130 WeakPolarHBondContact O-CG 3.44Å; Q126-L130 PolarHBondContact O-N 3.09Å |
| 127 | I | 69.9 | Low | 66.7 | Low | 84 Ų | 84 | 103.1 Ų | 103.1 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 175 | -70.3 | 164.6 | 0 | 0 | 0 | 111.4 | I123 L124 G125 L130 Q131 | I123-I127 HydrophobicContact CG2-CD1 4.04Å; I123-I127 WeakPolarHBondContact O-CD1 3.43Å; I123-I127 WeakPolarHBondContact O-CG1 3.34Å; I123-I127 PolarHBondContact O-N 3.42Å; I123-I127 VanDerWaalsContact O-N 3.09Å; L124-I127 PolarHBondContact O-N 2.89Å; G125-I127 PolarHBondContact O-N 3.29Å; I127-L130 WeakPolarHBondContact O-CB 3.21Å; I127-L130 PolarHBondContact O-N 3.35Å; I127-Q131 WeakPolarHBondContact O-CG 3.21Å; I127-Q131 PolarHBondContact O-N 2.89Å; I127-Q131 VanDerWaalsContact O-N 3.08Å |
| 128 | Q | 66.5 | Low | 67.6 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.7 | -36.4 | 175.6 | -161.9 | 168.9 | 16.8 | 0 | 0 | 111.8 | L124 G125 L130 Q131 N132 | L124-Q128 PolarHBondContact O-N 3.06Å; G125-Q128 PolarHBondContact O-N 3.49Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-Q131 WeakPolarHBondContact O-CB 3.4Å; Q128-Q131 PolarHBondContact O-N 3.3Å; Q128-N132 PolarHBondContact O-ND2 3.42Å |
| 129 | N | 65.6 | Low | 68.6 | Low | 99 Ų | 99 | 101.2 Ų | 101.2 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -33 | 170.9 | -82.1 | -45.3 | 0 | 0 | 0 | 112.9 | G125 Q126 Q131 N132 | G125-N129 PolarHBondContact O-N 2.82Å; G125-N129 PolarHBondContact O-ND2 2.97Å; Q126-N129 PolarHBondContact O-N 2.98Å; N129-Q131 VanDerWaalsContact C-N 3.33Å; N129-N132 WeakPolarHBondContact O-CB 3.47Å; N129-N132 PolarHBondContact O-N 3.38Å |
| 130 | L | 63 | Low | 69.8 | Low | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -29.5 | 172.8 | -76.5 | 161.6 | 0 | 0 | 0 | 112.9 | Q126 I127 Q128 N132 M133 I138 | Q126-L130 WeakPolarHBondContact O-CG 3.44Å; Q126-L130 PolarHBondContact O-N 3.09Å; I127-L130 WeakPolarHBondContact O-CB 3.21Å; I127-L130 PolarHBondContact O-N 3.35Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; L130-N132 PolarHBondContact O-N 3.41Å; L130-M133 PolarHBondContact O-N 2.88Å; L130-M133 VanDerWaalsContact O-N 3.07Å; L130-I138 HydrophobicContact CD2-CD1 4.25Å |
| 131 | Q | 62.4 | Low | 70.9 | Confident | 146 Ų | 146 | 104 Ų | 104 | 68% | 0.682 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -22.9 | 173.5 | -68.9 | 173.7 | 4.3 | 0 | 0 | 112.6 | I127 Q128 N129 M133 | I127-Q131 WeakPolarHBondContact O-CG 3.21Å; I127-Q131 PolarHBondContact O-N 2.89Å; I127-Q131 VanDerWaalsContact O-N 3.08Å; Q128-Q131 WeakPolarHBondContact O-CB 3.4Å; Q128-Q131 PolarHBondContact O-N 3.3Å; N129-Q131 VanDerWaalsContact C-N 3.33Å; Q131-M133 VanDerWaalsContact C-N 3.32Å |
| 132 | N | 64.9 | Low | 72 | Confident | 132 Ų | 132 | 101.2 Ų | 101.2 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.7 | 175 | -61.7 | -38.2 | 0 | 0 | 0 | 113 | Q128 N129 L130 | Q128-N132 PolarHBondContact O-ND2 3.42Å; N129-N132 WeakPolarHBondContact O-CB 3.47Å; N129-N132 PolarHBondContact O-N 3.38Å; L130-N132 PolarHBondContact O-N 3.41Å |
| 133 | M | 65 | Low | 72.9 | Confident | 90 Ų | 90 | 104 Ų | 104 | 44% | 0.443 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -96.1 | 126.2 | 171.1 | -76.3 | -138.2 | 70.3 | 0 | 0 | 109.8 | L130 Q131 L135 I138 | L130-M133 PolarHBondContact O-N 2.88Å; L130-M133 VanDerWaalsContact O-N 3.07Å; Q131-M133 VanDerWaalsContact C-N 3.32Å; M133-L135 PolarHBondContact O-N 3.42Å; M133-I138 HydrophobicContact CB-CD1 3.83Å; M133-I138 HydrophobicContact CB-CG1 4.25Å |
| 134 | D | 69.9 | Low | 73.7 | Confident | 101 Ų | 101 | 100.1 Ų | 100.1 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | trans | -58.9 | 120.9 | 178.6 | -173.8 | -0.1 | 0 | 0 | 0 | 110 | D136 T137 I138 | D134-D136 PolarHBondContact O-N 2.98Å; D134-D136 VanDerWaalsContact O-N 3.09Å; D134-D136 PolarHBondContact OD1-N 2.96Å; D134-T137 WeakPolarHBondContact CB-OG1 3.34Å; D134-T137 PolarHBondContact O-N 3.06Å; D134-T137 PolarHBondContact O-OG1 2.85Å; D134-I138 PolarHBondContact O-N 2.8Å | ||
| 135 | L | 75 | Confident | 74.4 | Confident | 136 Ų | 136 | 96.9 Ų | 96.9 | 71% | 0.712 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -54.9 | -29.6 | -178.2 | -74 | 172.7 | 0 | 0 | 0 | 111.4 | M133 I138 K139 | M133-L135 PolarHBondContact O-N 3.42Å; L135-I138 PolarHBondContact O-N 3.31Å; L135-K139 VanDerWaalsContact O-CB 3.3Å; L135-K139 WeakPolarHBondContact O-CB 3.34Å; L135-K139 PolarHBondContact O-N 3.26Å |
| 136 | D | 76 | Confident | 75.5 | Confident | 107 Ų | 107 | 103.3 Ų | 103.3 | 57% | 0.572 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.6 | -41.5 | 177.2 | -73.4 | -30 | 0 | 0 | 0 | 111.8 | D134 I138 K139 E140 | D134-D136 PolarHBondContact O-N 2.98Å; D134-D136 VanDerWaalsContact O-N 3.09Å; D134-D136 PolarHBondContact OD1-N 2.96Å; D136-I138 PolarHBondContact O-N 2.86Å; D136-K139 PolarHBondContact O-N 3.31Å; D136-E140 WeakPolarHBondContact O-CB 3.39Å; D136-E140 PolarHBondContact O-N 3.4Å |
| 137 | T | 78.2 | Confident | 76.4 | Confident | 53 Ų | 53 | 102.1 Ų | 102.1 | 33% | 0.325 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 172.9 | 31 | 0 | 0 | 0 | 0 | 113.4 | D134 K141 | D134-T137 WeakPolarHBondContact CB-OG1 3.34Å; D134-T137 PolarHBondContact O-N 3.06Å; D134-T137 PolarHBondContact O-OG1 2.85Å; T137-K141 WeakPolarHBondContact O-CB 3.45Å; T137-K141 WeakPolarHBondContact O-CG 2.79Å; T137-K141 PolarHBondContact O-N 2.93Å |
| 138 | I | 80.4 | Confident | 77.3 | Confident | 62 Ų | 62 | 104 Ų | 104 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 176.2 | -65.8 | 173.8 | 0 | 0 | 0 | 109.7 | L130 M133 D134 L135 D136 K141 A142 | L130-I138 HydrophobicContact CD2-CD1 4.25Å; M133-I138 HydrophobicContact CB-CD1 3.83Å; M133-I138 HydrophobicContact CB-CG1 4.25Å; D134-I138 PolarHBondContact O-N 2.8Å; L135-I138 PolarHBondContact O-N 3.31Å; D136-I138 PolarHBondContact O-N 2.86Å; I138-K141 PolarHBondContact O-N 3.18Å; I138-A142 VanDerWaalsContact O-CB 3.24Å; I138-A142 WeakPolarHBondContact O-CB 3.29Å; I138-A142 PolarHBondContact O-N 3.21Å |
| 139 | K | 81.1 | Confident | 78.3 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 178.3 | -177.9 | -178 | 174.5 | -171.6 | 0 | 111.9 | L135 D136 A142 Q143 | L135-K139 VanDerWaalsContact O-CB 3.3Å; L135-K139 WeakPolarHBondContact O-CB 3.34Å; L135-K139 PolarHBondContact O-N 3.26Å; D136-K139 PolarHBondContact O-N 3.31Å; K139-A142 PolarHBondContact O-N 2.87Å; K139-Q143 WeakPolarHBondContact O-CB 3.29Å; K139-Q143 WeakPolarHBondContact O-CG 3.24Å; K139-Q143 PolarHBondContact O-N 2.87Å |
| 140 | E | 84.9 | Confident | 79.2 | Confident | 136 Ų | 136 | 103.9 Ų | 103.9 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -46 | 178.1 | -169.8 | 177.4 | -172.1 | 0 | 0 | 111.3 | D136 A142 Q143 A144 | D136-E140 WeakPolarHBondContact O-CB 3.39Å; D136-E140 PolarHBondContact O-N 3.4Å; E140-A142 PolarHBondContact O-N 3.3Å; E140-Q143 PolarHBondContact O-N 3.26Å; E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.89Å |
| 141 | K | 83.7 | Confident | 80.2 | Confident | 137 Ų | 137 | 105.1 Ų | 105.1 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 174.8 | -75.2 | -176.9 | 179.2 | -177.6 | 0 | 112.1 | T137 I138 Q143 A144 T145 | T137-K141 WeakPolarHBondContact O-CB 3.45Å; T137-K141 WeakPolarHBondContact O-CG 2.79Å; T137-K141 PolarHBondContact O-N 2.93Å; I138-K141 PolarHBondContact O-N 3.18Å; K141-Q143 VanDerWaalsContact C-N 3.34Å; K141-Q143 PolarHBondContact O-N 3.04Å; K141-A144 PolarHBondContact O-N 3.08Å; K141-T145 PolarHBondContact O-N 3.44Å; K141-T145 PolarHBondContact O-OG1 2.99Å |
| 142 | A | 85.7 | Confident | 81.2 | Confident | 57 Ų | 57 | 101.2 Ų | 101.2 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | I138 K139 E140 F146 | I138-A142 VanDerWaalsContact O-CB 3.24Å; I138-A142 WeakPolarHBondContact O-CB 3.29Å; I138-A142 PolarHBondContact O-N 3.21Å; K139-A142 PolarHBondContact O-N 2.87Å; E140-A142 PolarHBondContact O-N 3.3Å; A142-F146 WeakPolarHBondContact O-CB 3.5Å; A142-F146 PolarHBondContact O-N 3.42Å |
| 143 | Q | 86.6 | Confident | 82 | Confident | 120 Ų | 120 | 97.5 Ų | 97.5 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 174.4 | -79.8 | -174.8 | -20.6 | 0 | 0 | 111.9 | K139 E140 K141 F146 T147 | K139-Q143 WeakPolarHBondContact O-CB 3.29Å; K139-Q143 WeakPolarHBondContact O-CG 3.24Å; K139-Q143 PolarHBondContact O-N 2.87Å; E140-Q143 PolarHBondContact O-N 3.26Å; K141-Q143 VanDerWaalsContact C-N 3.34Å; K141-Q143 PolarHBondContact O-N 3.04Å; Q143-F146 PolarHBondContact O-N 3.18Å; Q143-T147 PolarHBondContact O-N 3.4Å; Q143-T147 PolarHBondContact O-OG1 3.35Å |
| 144 | A | 85.1 | Confident | 82.7 | Confident | 46 Ų | 46 | 98.5 Ų | 98.5 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E140 K141 F146 T147 E148 | E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 2.89Å; K141-A144 PolarHBondContact O-N 3.08Å; A144-F146 VanDerWaalsContact C-N 3.33Å; A144-F146 PolarHBondContact O-N 3Å; A144-T147 WeakPolarHBondContact CA-OG1 3.47Å; A144-T147 PolarHBondContact O-N 3.49Å; A144-T147 PolarHBondContact O-OG1 2.87Å; A144-E148 PolarHBondContact O-N 3.44Å |
| 145 | T | 86.3 | Confident | 82.9 | Confident | 72 Ų | 72 | 100 Ų | 100 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.3 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | K141 E148 I149 | K141-T145 PolarHBondContact O-N 3.44Å; K141-T145 PolarHBondContact O-OG1 2.99Å; T145-E148 PolarHBondContact O-N 2.87Å; T145-I149 HydrophobicContact CG2-CD1 3.92Å; T145-I149 HydrophobicContact CG2-CG1 4.44Å; T145-I149 WeakPolarHBondContact O-CB 3.48Å; T145-I149 VanDerWaalsContact O-CG1 3.25Å; T145-I149 WeakPolarHBondContact O-CG1 3.4Å; T145-I149 PolarHBondContact O-N 3.43Å |
| 146 | F | 88.1 | Confident | 82.8 | Confident | 144 Ų | 144 | 100.6 Ų | 100.6 | 63% | 0.632 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 176 | -177.7 | -97.9 | 0 | 0 | 0 | 111.7 | A142 Q143 A144 K150 | A142-F146 WeakPolarHBondContact O-CB 3.5Å; A142-F146 PolarHBondContact O-N 3.42Å; Q143-F146 PolarHBondContact O-N 3.18Å; A144-F146 VanDerWaalsContact C-N 3.33Å; A144-F146 PolarHBondContact O-N 3Å; F146-K150 VanDerWaalsContact O-CB 3.25Å; F146-K150 WeakPolarHBondContact O-CB 3.35Å; F146-K150 PolarHBondContact O-N 3.36Å |
| 147 | T | 87 | Confident | 82 | Confident | 76 Ų | 76 | 99.8 Ų | 99.8 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 176.1 | 44.4 | 0 | 0 | 0 | 0 | 112.8 | Q143 A144 K150 Q151 | Q143-T147 PolarHBondContact O-N 3.4Å; Q143-T147 PolarHBondContact O-OG1 3.35Å; A144-T147 WeakPolarHBondContact CA-OG1 3.47Å; A144-T147 PolarHBondContact O-N 3.49Å; A144-T147 PolarHBondContact O-OG1 2.87Å; T147-K150 PolarHBondContact O-N 3.48Å; T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 PolarHBondContact O-N 2.97Å |
| 148 | E | 87.3 | Confident | 80.9 | Confident | 123 Ų | 123 | 101.6 Ų | 101.6 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -48.6 | 175 | -81.2 | -174.3 | 158.4 | 0 | 0 | 111.2 | A144 T145 K150 Q151 T152 | A144-E148 PolarHBondContact O-N 3.44Å; T145-E148 PolarHBondContact O-N 2.87Å; E148-K150 VanDerWaalsContact C-N 3.27Å; E148-K150 PolarHBondContact O-N 3.08Å; E148-Q151 PolarHBondContact O-N 3.06Å; E148-T152 WeakPolarHBondContact O-CB 3.39Å; E148-T152 PolarHBondContact O-N 3.47Å; E148-T152 PolarHBondContact O-OG1 3.2Å |
| 149 | I | 87.6 | Confident | 79.7 | Confident | 112 Ų | 112 | 104.7 Ų | 104.7 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.8 | -43.5 | 177.1 | -70 | 168 | 0 | 0 | 0 | 110.2 | T145 T152 A153 | T145-I149 HydrophobicContact CG2-CD1 3.92Å; T145-I149 HydrophobicContact CG2-CG1 4.44Å; T145-I149 WeakPolarHBondContact O-CB 3.48Å; T145-I149 VanDerWaalsContact O-CG1 3.25Å; T145-I149 WeakPolarHBondContact O-CG1 3.4Å; T145-I149 PolarHBondContact O-N 3.43Å; I149-T152 PolarHBondContact O-N 3.35Å; I149-A153 VanDerWaalsContact O-CB 3.3Å; I149-A153 WeakPolarHBondContact O-CB 3.3Å; I149-A153 PolarHBondContact O-N 3.33Å |
| 150 | K | 85.4 | Confident | 78 | Confident | 112 Ų | 112 | 109 Ų | 109 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62 | -48.9 | 177.7 | -176 | 177.7 | 172.4 | -176.9 | 0 | 111.8 | F146 T147 E148 T152 A153 E154 | F146-K150 VanDerWaalsContact O-CB 3.25Å; F146-K150 WeakPolarHBondContact O-CB 3.35Å; F146-K150 PolarHBondContact O-N 3.36Å; T147-K150 PolarHBondContact O-N 3.48Å; E148-K150 VanDerWaalsContact C-N 3.27Å; E148-K150 PolarHBondContact O-N 3.08Å; K150-T152 VanDerWaalsContact C-N 3.32Å; K150-T152 PolarHBondContact O-N 3.26Å; K150-A153 PolarHBondContact O-N 3.49Å; K150-E154 WeakPolarHBondContact CE-OE1 3.44Å; K150-E154 WeakPolarHBondContact O-CB 3.38Å; K150-E154 VanDerWaalsContact O-CG 3.32Å; K150-E154 WeakPolarHBondContact O-CG 3.44Å; K150-E154 PolarHBondContact O-N 3.07Å |
| 151 | Q | 84.1 | Confident | 77.6 | Confident | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.2 | -40.2 | 176.2 | -81.1 | -175.3 | -17.2 | 0 | 0 | 112.1 | T147 E148 A153 E154 Q155 | T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 PolarHBondContact O-N 2.97Å; E148-Q151 PolarHBondContact O-N 3.06Å; Q151-A153 VanDerWaalsContact C-N 3.32Å; Q151-A153 PolarHBondContact O-N 2.97Å; Q151-E154 PolarHBondContact O-N 3.4Å; Q151-Q155 WeakPolarHBondContact O-CB 3.44Å; Q151-Q155 WeakPolarHBondContact O-CG 3.47Å; Q151-Q155 PolarHBondContact O-N 3.22Å |
| 152 | T | 83.3 | Confident | 77.3 | Confident | 63 Ų | 63 | 106.1 Ų | 106.1 | 39% | 0.387 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -37.7 | 178.6 | -45.1 | 0 | 0 | 0 | 0 | 111 | E148 I149 K150 K156 | E148-T152 WeakPolarHBondContact O-CB 3.39Å; E148-T152 PolarHBondContact O-N 3.47Å; E148-T152 PolarHBondContact O-OG1 3.2Å; I149-T152 PolarHBondContact O-N 3.35Å; K150-T152 VanDerWaalsContact C-N 3.32Å; K150-T152 PolarHBondContact O-N 3.26Å; T152-K156 WeakPolarHBondContact O-CB 3.34Å; T152-K156 WeakPolarHBondContact O-CG 3.39Å; T152-K156 PolarHBondContact O-N 3.13Å |
| 153 | A | 81.1 | Confident | 76.8 | Confident | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.3 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I149 K150 Q151 K156 C157 | I149-A153 VanDerWaalsContact O-CB 3.3Å; I149-A153 WeakPolarHBondContact O-CB 3.3Å; I149-A153 PolarHBondContact O-N 3.33Å; K150-A153 PolarHBondContact O-N 3.49Å; Q151-A153 VanDerWaalsContact C-N 3.32Å; Q151-A153 PolarHBondContact O-N 2.97Å; A153-K156 PolarHBondContact O-N 3.03Å; A153-C157 WeakPolarHBondContact O-CB 3.41Å; A153-C157 PolarHBondContact O-N 3.38Å |
| 154 | E | 79.3 | Confident | 76.3 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 52% | 0.523 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -43.5 | 175.4 | -74.3 | 173 | -177.8 | 0 | 0 | 111.5 | K150 Q151 K156 C157 S158 | K150-E154 WeakPolarHBondContact CE-OE1 3.44Å; K150-E154 WeakPolarHBondContact O-CB 3.38Å; K150-E154 VanDerWaalsContact O-CG 3.32Å; K150-E154 WeakPolarHBondContact O-CG 3.44Å; K150-E154 PolarHBondContact O-N 3.07Å; Q151-E154 PolarHBondContact O-N 3.4Å; E154-K156 PolarHBondContact O-N 3.21Å; E154-C157 PolarHBondContact O-N 3.09Å; E154-S158 WeakPolarHBondContact O-CB 3.34Å; E154-S158 PolarHBondContact O-N 3.17Å; E154-S158 PolarHBondContact O-OG 2.66Å |
| 155 | Q | 75.5 | Confident | 75.7 | Confident | 131 Ų | 131 | 112 Ų | 112 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -37.3 | 174.5 | -76.2 | -179 | -7.4 | 0 | 0 | 112.9 | Q151 S158 V159 | Q151-Q155 WeakPolarHBondContact O-CB 3.44Å; Q151-Q155 WeakPolarHBondContact O-CG 3.47Å; Q151-Q155 PolarHBondContact O-N 3.22Å; Q155-S158 PolarHBondContact O-OG 3.24Å; Q155-S158 VanDerWaalsContact O-OG 3.1Å; Q155-V159 VanDerWaalsContact O-CG2 3.31Å; Q155-V159 WeakPolarHBondContact O-CG2 3.16Å |
| 156 | K | 73.2 | Confident | 75 | Confident | 149 Ų | 149 | 114.7 Ų | 114.7 | 65% | 0.648 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.1 | -31 | 177.6 | -78.4 | -179.8 | 178.6 | 179.8 | 0 | 112.9 | T152 A153 E154 | T152-K156 WeakPolarHBondContact O-CB 3.34Å; T152-K156 WeakPolarHBondContact O-CG 3.39Å; T152-K156 PolarHBondContact O-N 3.13Å; A153-K156 PolarHBondContact O-N 3.03Å; E154-K156 PolarHBondContact O-N 3.21Å |
| 157 | C | 57.8 | Low | 74.1 | Confident | 90 Ų | 90 | 112.6 Ų | 112.6 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.9 | -26.7 | 174.2 | -94.3 | 0 | 0 | 0 | 0 | 113.5 | A153 E154 V159 | A153-C157 WeakPolarHBondContact O-CB 3.41Å; A153-C157 PolarHBondContact O-N 3.38Å; E154-C157 PolarHBondContact O-N 3.09Å; C157-V159 PolarHBondContact O-N 2.85Å |
| 158 | S | 56 | Low | 73.1 | Confident | 91 Ų | 91 | 115.4 Ų | 115.4 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -8.1 | 177.6 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | E154 Q155 | E154-S158 WeakPolarHBondContact O-CB 3.34Å; E154-S158 PolarHBondContact O-N 3.17Å; E154-S158 PolarHBondContact O-OG 2.66Å; Q155-S158 PolarHBondContact O-OG 3.24Å; Q155-S158 VanDerWaalsContact O-OG 3.1Å |
| 159 | V | 55 | Low | 71.9 | Confident | 128 Ų | 128 | 114.8 Ų | 114.8 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 1.2 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | Q155 C157 | Q155-V159 VanDerWaalsContact O-CG2 3.31Å; Q155-V159 WeakPolarHBondContact O-CG2 3.16Å; C157-V159 PolarHBondContact O-N 2.85Å |
| 160 | M | 44.7 | Very low | 70.5 | Confident | 215 Ų | 215 | 115 Ų | 115 | 100% | 1.059 | 61% | 0.613 | S | S | * | * | trans | -98.6 | 0 | 166.6 | -81.8 | -172.5 | -112.7 | 0 | 0 | 111 |
Retrieved 160 of 160 residues in 282.8 ms
(Link to these results)