| 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 | 47.8 | Very low | 50.9 | Low | 246 Ų | 246 | 153.1 Ų | 153.1 | 100% | 1.212 | 86% | 0.858 | S | S | * | * | 0 | 123.7 | 0 | -79.5 | 179.8 | 159.9 | 0 | 0 | 109.8 | |||||
| 2 | K | 48.1 | Very low | 50 | Low | 210 Ų | 210 | 146.2 Ų | 146.2 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | trans | -170.4 | 106.9 | 151.4 | -107.9 | 175.7 | -177.5 | -175.9 | 0 | 106.5 | ||||
| 3 | G | 51 | Low | 49.6 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -80.2 | 125.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | E | 57.5 | Low | 49.9 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -99.7 | 109.6 | -176.6 | -161.2 | 156.2 | -152.1 | 0 | 0 | 109.9 | V6 | E4-V6 PolarHBondContact O-N 2.78Š| ||
| 5 | S | 53.6 | Low | 50.5 | Low | 121 Ų | 121 | 156.4 Ų | 156.4 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -77.5 | 97.9 | -169.1 | -52.7 | 0 | 0 | 0 | 0 | 112 | S7 | S5-S7 PolarHBondContact O-N 3.04Š| ||
| 6 | V | 58.1 | Low | 51.4 | Low | 141 Ų | 141 | 159.3 Ų | 159.3 | 86% | 0.855 | 84% | 0.843 | S | S | * | * | trans | -81.3 | 111.7 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | E4 | E4-V6 PolarHBondContact O-N 2.78Š| ||
| 7 | S | 56.3 | Low | 52 | Low | 98 Ų | 98 | 162.9 Ų | 162.9 | 69% | 0.685 | 85% | 0.85 | S | S | * | * | trans | -64.4 | 143.9 | -176.2 | -177.6 | 0 | 0 | 0 | 0 | 114.1 | S5 N9 | S5-S7 PolarHBondContact O-N 3.04Å; S7-N9 PolarHBondContact O-N 3.1Å | ||
| 8 | R | 56.2 | Low | 52.4 | Low | 220 Ų | 220 | 156.8 Ų | 156.8 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | trans | -77.6 | 95.8 | 174.1 | -68.8 | 177 | 174.6 | 171.5 | -2.9 | 111.5 | N10 | R8-N10 PolarHBondContact O-N 3.47Š| ||
| 9 | N | 48.4 | Very low | 53.3 | Low | 154 Ų | 154 | 161.6 Ų | 161.6 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | trans | -76.8 | 68.3 | 164.6 | -84.2 | -7.4 | 0 | 0 | 0 | 111.9 | S7 G11 | S7-N9 PolarHBondContact O-N 3.1Å; N9-G11 PolarHBondContact O-N 3.43Å | ||
| 10 | N | 41.1 | Very low | 54 | Low | 154 Ų | 154 | 162.6 Ų | 162.6 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | trans | -74.6 | 71.7 | 167 | -82.9 | -11.1 | 0 | 0 | 0 | 110.1 | R8 | R8-N10 PolarHBondContact O-N 3.47Š| ||
| 11 | G | 41.8 | Very low | 54.9 | Low | 75 Ų | 75 | 164 Ų | 164 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -119 | 91.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N9 | N9-G11 PolarHBondContact O-N 3.43Š| ||
| 12 | G | 39.5 | Very low | 56.2 | Low | 70 Ų | 70 | 163.4 Ų | 163.4 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 95.1 | 68.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | R14 | G12-R14 VanDerWaalsContact C-N 3.34Å; G12-R14 PolarHBondContact O-N 3.28Å | ||
| 13 | L | 45.8 | Very low | 57.6 | Low | 142 Ų | 142 | 161.6 Ų | 161.6 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | trans | -64 | 94.2 | 153.4 | -83 | 89.3 | 0 | 0 | 0 | 110.3 | ||||
| 14 | R | 53.6 | Low | 59 | Low | 241 Ų | 241 | 164.6 Ų | 164.6 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -113.3 | 56.9 | 156.2 | -82.5 | -166.8 | 166.1 | -145.5 | -3.1 | 111 | G12 K16 | G12-R14 VanDerWaalsContact C-N 3.34Å; G12-R14 PolarHBondContact O-N 3.28Å; R14-K16 PolarHBondContact O-N 3.28Å | ||
| 15 | R | 58.1 | Low | 60.1 | Low | 209 Ų | 209 | 157.9 Ų | 157.9 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | -67 | 96.5 | 167.2 | -57 | -172.3 | -156.6 | 171.3 | 7.6 | 108.4 | K17 | R15-K17 PolarHBondContact O-N 3.19Å; R15-K17 VanDerWaalsContact O-N 3.16Å | ||
| 16 | K | 66.1 | Low | 61.5 | Low | 202 Ų | 202 | 154.4 Ų | 154.4 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | -54.2 | 122.4 | 162.9 | -82.3 | -176 | 173.5 | -180 | 0 | 107.1 | R14 G18 | R14-K16 PolarHBondContact O-N 3.28Å; K16-G18 PolarHBondContact O-N 3.21Å | ||
| 17 | K | 61.7 | Low | 62.8 | Low | 221 Ų | 221 | 155.5 Ų | 155.5 | 96% | 0.961 | 76% | 0.759 | S | S | * | * | trans | -69.8 | 58 | 165.9 | -72.5 | -173.3 | 176.8 | -177.9 | 0 | 110 | R15 R19 | R15-K17 PolarHBondContact O-N 3.19Å; R15-K17 VanDerWaalsContact O-N 3.16Å; K17-R19 PolarHBondContact O-N 3.26Å | ||
| 18 | G | 58.4 | Low | 64.1 | Low | 54 Ų | 54 | 156.3 Ų | 156.3 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | trans | -63.4 | 132.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | K16 Q20 | K16-G18 PolarHBondContact O-N 3.21Å; G18-Q20 PolarHBondContact O-N 3.39Å | ||
| 19 | R | 70 | Confident | 65.6 | Low | 247 Ų | 247 | 150.2 Ų | 150.2 | 93% | 0.932 | 73% | 0.733 | S | S | * | * | trans | -60.5 | 89.2 | 165.4 | -85.9 | -179.7 | 160.3 | -169 | -6.4 | 107.4 | K17 K21 | K17-R19 PolarHBondContact O-N 3.26Å; R19-K21 VanDerWaalsContact C-N 3.25Å; R19-K21 PolarHBondContact O-N 3.16Å | ||
| 20 | Q | 67.6 | Low | 67.3 | Low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | trans | -61.9 | 98.5 | 161.8 | -83 | 179 | -37.3 | 0 | 0 | 105.6 | G18 R22 | G18-Q20 PolarHBondContact O-N 3.39Å; Q20-R22 PolarHBondContact O-N 3.11Å | ||
| 21 | K | 71.9 | Confident | 69.2 | Low | 193 Ų | 193 | 146.9 Ų | 146.9 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | trans | -55.4 | 108.2 | 165.1 | -67.5 | -175.5 | 177.4 | -174.4 | 0 | 105.1 | R19 Q23 | R19-K21 VanDerWaalsContact C-N 3.25Å; R19-K21 PolarHBondContact O-N 3.16Å; K21-Q23 PolarHBondContact O-N 3.32Å | ||
| 22 | R | 75.3 | Confident | 71 | Confident | 233 Ų | 233 | 151.2 Ų | 151.2 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | trans | -55.3 | 117 | 171.3 | -67.4 | 174.5 | 75.1 | -174.5 | 3.4 | 104.9 | Q20 V24 | Q20-R22 PolarHBondContact O-N 3.11Å; R22-V24 PolarHBondContact O-N 2.6Å | ||
| 23 | Q | 78.4 | Confident | 72.9 | Confident | 172 Ų | 172 | 156.3 Ų | 156.3 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -63.5 | 106.6 | 170.4 | -80.1 | -177.7 | -28.6 | 0 | 0 | 105.8 | K21 L25 | K21-Q23 PolarHBondContact O-N 3.32Å; Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.5Å | ||
| 24 | V | 79.4 | Confident | 74.5 | Confident | 141 Ų | 141 | 152.9 Ų | 152.9 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | trans | -69.8 | 99.6 | 167.1 | -178.5 | 0 | 0 | 0 | 0 | 104.6 | R22 | R22-V24 PolarHBondContact O-N 2.6Š| ||
| 25 | L | 81.5 | Confident | 75.3 | Confident | 46 Ų | 46 | 147.2 Ų | 147.2 | 24% | 0.241 | 68% | 0.677 | C | S | . | * | trans | -60.6 | 144.1 | 172.4 | -64.4 | 171.4 | 0 | 0 | 0 | 108.1 | Q23 E29 | Q23-L25 VanDerWaalsContact C-N 3.31Å; Q23-L25 PolarHBondContact O-N 3.5Å; L25-E29 WeakPolarHBondContact CA-OE2 3.43Å; L25-E29 HydrophobicContact CB-CB 4.08Å; L25-E29 HydrophobicContact CD2-CB 4.42Å; L25-E29 WeakPolarHBondContact CD2-OE2 3.04Å | ||
| 26 | S | 82.9 | Confident | 75.8 | Confident | 48 Ų | 48 | 143.5 Ų | 143.5 | 34% | 0.336 | 67% | 0.671 | S | S | . | * | trans | -64.4 | 160.2 | 172.1 | 88.5 | 0 | 0 | 0 | 0 | 110.2 | E28 E29 Y30 | S26-E28 WeakPolarHBondContact CB-OE2 3.36Å; S26-E28 PolarHBondContact O-N 2.93Å; S26-E28 PolarHBondContact OG-N 3.15Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; S26-E29 PolarHBondContact N-OE2 3.15Å; S26-E29 VanDerWaalsContact N-OE2 3.15Å; S26-E29 PolarHBondContact O-N 2.98Å; S26-E29 VanDerWaalsContact O-N 3.09Å; S26-E29 PolarHBondContact OG-N 3.29Å; S26-Y30 PolarHBondContact O-N 3.43Å | ||
| 27 | K | 84.7 | Confident | 75.4 | Confident | 163 Ų | 163 | 137.5 Ų | 137.5 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -56.8 | -38.8 | 178.2 | -173.3 | 178.1 | 178.6 | -179.3 | 0 | 111.1 | Y30 L31 | K27-Y30 PolarHBondContact O-N 3.25Å; K27-L31 HydrophobicContact CG-CD1 4.33Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.38Å |
| 28 | E | 83.7 | Confident | 75 | Confident | 115 Ų | 115 | 134.1 Ų | 134.1 | 54% | 0.537 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.8 | -37.6 | 177.7 | -49.3 | 75.8 | -160.3 | 0 | 0 | 112.3 | S26 K32 | S26-E28 WeakPolarHBondContact CB-OE2 3.36Å; S26-E28 PolarHBondContact O-N 2.93Å; S26-E28 PolarHBondContact OG-N 3.15Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; E28-K32 WeakPolarHBondContact O-CB 3.18Å; E28-K32 VanDerWaalsContact O-CG 3.26Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 2.8Å |
| 29 | E | 87.2 | Confident | 74.7 | Confident | 92 Ų | 92 | 134.9 Ų | 134.9 | 43% | 0.43 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67 | -37.9 | 175.6 | -71.9 | -176.8 | 147 | 0 | 0 | 112.5 | L25 S26 R33 | L25-E29 WeakPolarHBondContact CA-OE2 3.43Å; L25-E29 HydrophobicContact CB-CB 4.08Å; L25-E29 HydrophobicContact CD2-CB 4.42Å; L25-E29 WeakPolarHBondContact CD2-OE2 3.04Å; S26-E29 PolarHBondContact N-OE2 3.15Å; S26-E29 VanDerWaalsContact N-OE2 3.15Å; S26-E29 PolarHBondContact O-N 2.98Å; S26-E29 VanDerWaalsContact O-N 3.09Å; S26-E29 PolarHBondContact OG-N 3.29Å; E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 2.94Å |
| 30 | Y | 83.8 | Confident | 73.9 | Confident | 142 Ų | 142 | 132.6 Ų | 132.6 | 56% | 0.557 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.6 | -47.6 | 174.4 | -176.8 | -98.7 | 0 | 0 | 0 | 111.3 | S26 K27 K32 R33 L34 | S26-Y30 PolarHBondContact O-N 3.43Å; K27-Y30 PolarHBondContact O-N 3.25Å; Y30-K32 VanDerWaalsContact C-N 3.3Å; Y30-K32 PolarHBondContact O-N 3.33Å; Y30-R33 WeakPolarHBondContact O-CA 3.12Å; Y30-R33 PolarHBondContact O-N 3.39Å; Y30-L34 HydrophobicContact CD1-CD2 4.42Å; Y30-L34 HydrophobicContact CD1-CG 4.38Å; Y30-L34 HydrophobicContact CE1-CD1 4.33Å; Y30-L34 HydrophobicContact CE1-CD2 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.09Å; Y30-L34 PolarHBondContact O-N 3.23Å; Y30-L34 VanDerWaalsContact O-N 3.09Å |
| 31 | L | 80.9 | Confident | 73.1 | Confident | 97 Ų | 97 | 134.8 Ų | 134.8 | 51% | 0.508 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -59.6 | -37.5 | 177.3 | -70.4 | 172.1 | 0 | 0 | 0 | 112.6 | K27 R33 L34 | K27-L31 HydrophobicContact CG-CD1 4.33Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.38Å; L31-R33 PolarHBondContact O-N 3.09Å; L31-L34 HydrophobicContact CD2-CD1 3.78Å; L31-L34 PolarHBondContact O-N 3.24Å |
| 32 | K | 81.3 | Confident | 72.5 | Confident | 166 Ų | 166 | 131.8 Ų | 131.8 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.1 | -20.4 | 173.6 | -75.1 | 170.5 | -176.7 | 175.3 | 0 | 114.2 | E28 Y30 | E28-K32 WeakPolarHBondContact O-CB 3.18Å; E28-K32 VanDerWaalsContact O-CG 3.26Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 2.8Å; Y30-K32 VanDerWaalsContact C-N 3.3Å; Y30-K32 PolarHBondContact O-N 3.33Å |
| 33 | R | 79.4 | Confident | 71.1 | Confident | 176 Ų | 176 | 125.9 Ų | 125.9 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -97.6 | -14.1 | 178.4 | -71 | -177.7 | -172.5 | -158.2 | 5.2 | 113.8 | E29 Y30 L31 | E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 2.94Å; Y30-R33 WeakPolarHBondContact O-CA 3.12Å; Y30-R33 PolarHBondContact O-N 3.39Å; L31-R33 PolarHBondContact O-N 3.09Å |
| 34 | L | 77.8 | Confident | 69.9 | Low | 70 Ų | 70 | 124.9 Ų | 124.9 | 37% | 0.366 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -57.3 | 142.1 | 170.5 | -70.9 | 179.8 | 0 | 0 | 0 | 108.8 | Y30 L31 I36 | Y30-L34 HydrophobicContact CD1-CD2 4.42Å; Y30-L34 HydrophobicContact CD1-CG 4.38Å; Y30-L34 HydrophobicContact CE1-CD1 4.33Å; Y30-L34 HydrophobicContact CE1-CD2 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.09Å; Y30-L34 PolarHBondContact O-N 3.23Å; Y30-L34 VanDerWaalsContact O-N 3.09Å; L31-L34 HydrophobicContact CD2-CD1 3.78Å; L31-L34 PolarHBondContact O-N 3.24Å; L34-I36 PolarHBondContact O-N 3.29Å |
| 35 | P | 71.8 | Confident | 68.7 | Low | 123 Ų | 123 | 125.6 Ų | 125.6 | 80% | 0.799 | 65% | 0.649 | S | S | * | * | trans | -59.7 | 106 | 173 | 25.5 | -32.8 | 0 | 0 | 0 | 107.8 | G37 | P35-G37 PolarHBondContact O-N 3.27Š| ||
| 36 | I | 68.3 | Low | 67.4 | Low | 130 Ų | 130 | 131 Ų | 131 | 67% | 0.667 | 68% | 0.678 | S | S | * | * | trans | -64.2 | 109.1 | 176 | -52.7 | 178.1 | 0 | 0 | 0 | 105.4 | L34 I38 | L34-I36 PolarHBondContact O-N 3.29Å; I36-I38 HydrophobicContact CB-CG1 4.24Å; I36-I38 HydrophobicContact CG2-CD1 4.19Å; I36-I38 HydrophobicContact CG2-CG1 3.67Å; I36-I38 PolarHBondContact O-N 3.05Å | ||
| 37 | G | 58.4 | Low | 65.9 | Low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | trans | -69.7 | 64.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | P35 G39 | P35-G37 PolarHBondContact O-N 3.27Å; G37-G39 PolarHBondContact O-N 3.43Å | ||
| 38 | I | 52.2 | Low | 64.2 | Low | 149 Ų | 149 | 129.5 Ų | 129.5 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | trans | -73.4 | 95.7 | 175.9 | -54.7 | -179.5 | 0 | 0 | 0 | 107.9 | I36 K40 | I36-I38 HydrophobicContact CB-CG1 4.24Å; I36-I38 HydrophobicContact CG2-CD1 4.19Å; I36-I38 HydrophobicContact CG2-CG1 3.67Å; I36-I38 PolarHBondContact O-N 3.05Å; I38-K40 PolarHBondContact O-N 2.84Å | ||
| 39 | G | 51.8 | Low | 62.7 | Low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 91.9 | -5.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | G37 R41 | G37-G39 PolarHBondContact O-N 3.43Å; G39-R41 PolarHBondContact O-N 3.02Å |
| 40 | K | 53.5 | Low | 61.3 | Low | 199 Ų | 199 | 131 Ų | 131 | 87% | 0.865 | 72% | 0.72 | S | S | * | * | trans | -86.3 | 90.9 | 163.7 | -73 | -164.4 | 176.2 | -169.8 | 0 | 109.6 | I38 V42 | I38-K40 PolarHBondContact O-N 2.84Å; K40-V42 PolarHBondContact O-N 3.5Å | ||
| 41 | R | 50.4 | Low | 59.8 | Low | 229 Ų | 229 | 131.7 Ų | 131.7 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -51.6 | 122.8 | 158.3 | -65.1 | 177 | 179.4 | -129.5 | -1 | 106.6 | G39 T43 | G39-R41 PolarHBondContact O-N 3.02Å; R41-T43 PolarHBondContact O-N 3.04Å | ||
| 42 | V | 59.4 | Low | 58.8 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -72.7 | 90.8 | 160.9 | 179.3 | 0 | 0 | 0 | 0 | 104.5 | K40 L44 | K40-V42 PolarHBondContact O-N 3.5Å; V42-L44 PolarHBondContact O-N 3.3Å | ||
| 43 | T | 45.4 | Very low | 57.5 | Low | 110 Ų | 110 | 135.7 Ų | 135.7 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | trans | -60.5 | 115.6 | 156.6 | 42.7 | 0 | 0 | 0 | 0 | 105.2 | R41 D45 | R41-T43 PolarHBondContact O-N 3.04Å; T43-D45 PolarHBondContact O-N 3.45Å; T43-D45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | L | 53 | Low | 56.6 | Low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -62.8 | 112.4 | 162.7 | -65.5 | 170.8 | 0 | 0 | 0 | 104.6 | V42 D46 | V42-L44 PolarHBondContact O-N 3.3Å; L44-D46 PolarHBondContact O-N 3.31Å; L44-D46 VanDerWaalsContact O-N 3.1Å | ||
| 45 | D | 55.3 | Low | 55.9 | Low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -72.4 | 101.1 | -179.1 | -153.9 | 24.2 | 0 | 0 | 0 | 106.7 | T43 G47 | T43-D45 PolarHBondContact O-N 3.45Å; T43-D45 VanDerWaalsContact O-N 3.13Å; D45-G47 VanDerWaalsContact C-N 3.31Å; D45-G47 PolarHBondContact O-N 3.05Å | ||
| 46 | D | 54.1 | Low | 55.3 | Low | 160 Ų | 160 | 141.1 Ų | 141.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -80.3 | 72.2 | -171.4 | 47.8 | -35.6 | 0 | 0 | 0 | 110.6 | L44 | L44-D46 PolarHBondContact O-N 3.31Å; L44-D46 VanDerWaalsContact O-N 3.1Å | ||
| 47 | G | 51.6 | Low | 55.1 | Low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | -157.4 | 12.5 | -168.5 | 0 | 0 | 0 | 0 | 0 | 119 | D45 | D45-G47 VanDerWaalsContact C-N 3.31Å; D45-G47 PolarHBondContact O-N 3.05Å | ||
| 48 | S | 48.1 | Very low | 55.8 | Low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -149.6 | 113.6 | 169.7 | -61 | 0 | 0 | 0 | 0 | 111.2 | P50 | S48-P50 WeakPolarHBondContact O-CD 3.47Š| ||
| 49 | D | 53 | Low | 56.5 | Low | 118 Ų | 118 | 141.1 Ų | 141.1 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | trans | -66.5 | 121.4 | 166.3 | -170.9 | -15.5 | 0 | 0 | 0 | 108.3 | M51 | D49-M51 PolarHBondContact O-N 3.11Å; D49-M51 WeakPolarHBondContact OD1-CB 3.46Å; D49-M51 PolarHBondContact OD1-N 2.82Å | ||
| 50 | P | 57.6 | Low | 57 | Low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -78.5 | 7.3 | 177.8 | 34.5 | -36.5 | 0 | 0 | 0 | 113.2 | S48 E52 | S48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-E52 PolarHBondContact O-N 2.68Å |
| 51 | M | 52 | Low | 57.2 | Low | 155 Ų | 155 | 138.9 Ų | 138.9 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | -70.8 | 59.2 | 155.3 | -61.4 | -135.6 | -52.7 | 0 | 0 | 110.7 | D49 E53 | D49-M51 PolarHBondContact O-N 3.11Å; D49-M51 WeakPolarHBondContact OD1-CB 3.46Å; D49-M51 PolarHBondContact OD1-N 2.82Å; M51-E53 PolarHBondContact O-N 2.99Å | ||
| 52 | E | 60 | Low | 57.6 | Low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -57.7 | 123.8 | 158.2 | -167.9 | 168.1 | -139.8 | 0 | 0 | 106.5 | P50 F54 | P50-E52 PolarHBondContact O-N 2.68Å; E52-F54 PolarHBondContact O-N 3.47Å | ||
| 53 | E | 54.9 | Low | 57.2 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | -58.5 | 113.8 | -172.1 | -66.4 | 172.6 | 149 | 0 | 0 | 108.9 | M51 D55 | M51-E53 PolarHBondContact O-N 2.99Å; E53-D55 PolarHBondContact O-N 3.2Å | ||
| 54 | F | 59.2 | Low | 57.7 | Low | 182 Ų | 182 | 133.3 Ų | 133.3 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -64.4 | 104.3 | 171.7 | -92.4 | -100.1 | 0 | 0 | 0 | 107.8 | E52 L56 | E52-F54 PolarHBondContact O-N 3.47Å; F54-L56 PolarHBondContact O-N 3.31Å | ||
| 55 | D | 63.2 | Low | 57.8 | Low | 133 Ų | 133 | 133.3 Ų | 133.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -59.4 | 89.2 | 167.3 | -83.8 | -29.1 | 0 | 0 | 0 | 108.8 | E53 D57 D58 | E53-D55 PolarHBondContact O-N 3.2Å; D55-D57 PolarHBondContact O-N 3.03Å; D55-D58 PolarHBondContact O-N 2.98Å | ||
| 56 | L | 59.6 | Low | 57.7 | Low | 169 Ų | 169 | 133.1 Ų | 133.1 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -11.1 | 179.4 | -80.6 | 154.2 | 0 | 0 | 0 | 113.3 | F54 | F54-L56 PolarHBondContact O-N 3.31Š|
| 57 | D | 64.9 | Low | 57.8 | Low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 6.3 | 176.9 | -74 | -32.5 | 0 | 0 | 0 | 113.9 | D55 P59 | D55-D57 PolarHBondContact O-N 3.03Å; D57-P59 WeakPolarHBondContact O-CD 3.36Å |
| 58 | D | 73 | Confident | 58 | Low | 75 Ų | 75 | 136.5 Ų | 136.5 | 40% | 0.401 | 76% | 0.758 | S | S | . | * | trans | -74.9 | 109.2 | 173.5 | -176.9 | 12.7 | 0 | 0 | 0 | 112 | D55 L60 C61 | D55-D58 PolarHBondContact O-N 2.98Å; D58-L60 PolarHBondContact O-N 2.96Å; D58-L60 VanDerWaalsContact O-N 3.15Å; D58-L60 VanDerWaalsContact OD1-CB 3.27Å; D58-L60 WeakPolarHBondContact OD1-CB 3.45Å; D58-L60 WeakPolarHBondContact OD1-CG 3.27Å; D58-L60 PolarHBondContact OD1-N 2.83Å; D58-C61 WeakPolarHBondContact O-CB 3.28Å; D58-C61 PolarHBondContact O-N 2.95Å; D58-C61 VanDerWaalsContact O-N 3.09Å | ||
| 59 | P | 66.3 | Low | 58.5 | Low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -4.5 | 177.4 | 34.6 | -39.1 | 0 | 0 | 0 | 113.5 | D57 C61 | D57-P59 WeakPolarHBondContact O-CD 3.36Å; P59-C61 VanDerWaalsContact C-N 3.34Å |
| 60 | L | 62.1 | Low | 58.7 | Low | 145 Ų | 145 | 132.5 Ų | 132.5 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -8.6 | 171.4 | -55.8 | 177 | 0 | 0 | 0 | 112.7 | D58 P62 | D58-L60 PolarHBondContact O-N 2.96Å; D58-L60 VanDerWaalsContact O-N 3.15Å; D58-L60 VanDerWaalsContact OD1-CB 3.27Å; D58-L60 WeakPolarHBondContact OD1-CB 3.45Å; D58-L60 WeakPolarHBondContact OD1-CG 3.27Å; D58-L60 PolarHBondContact OD1-N 2.83Å; L60-P62 WeakPolarHBondContact O-CD 3.43Å |
| 61 | C | 58.2 | Low | 59.1 | Low | 77 Ų | 77 | 132.5 Ų | 132.5 | 52% | 0.52 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -70.5 | 110.7 | 170 | -142.1 | 0 | 0 | 0 | 0 | 108.8 | D58 P59 S63 | D58-C61 WeakPolarHBondContact O-CB 3.28Å; D58-C61 PolarHBondContact O-N 2.95Å; D58-C61 VanDerWaalsContact O-N 3.09Å; P59-C61 VanDerWaalsContact C-N 3.34Å; C61-S63 PolarHBondContact O-N 3.38Å |
| 62 | P | 58 | Low | 59.8 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -67.2 | 126.8 | -178.6 | 28.3 | -33.3 | 0 | 0 | 0 | 109.6 | L60 S64 | L60-P62 WeakPolarHBondContact O-CD 3.43Å; P62-S64 PolarHBondContact O-N 3.39Å; P62-S64 VanDerWaalsContact O-N 3.16Å | ||
| 63 | S | 51.6 | Low | 60.4 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -53.8 | 121.5 | 174.4 | 54.1 | 0 | 0 | 0 | 0 | 110 | C61 D65 | C61-S63 PolarHBondContact O-N 3.38Å; S63-D65 PolarHBondContact O-N 2.62Å | ||
| 64 | S | 56.8 | Low | 61.2 | Low | 129 Ų | 129 | 127.7 Ų | 127.7 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -78.5 | 43.9 | -157.5 | 64.8 | 0 | 0 | 0 | 0 | 115.7 | P62 | P62-S64 PolarHBondContact O-N 3.39Å; P62-S64 VanDerWaalsContact O-N 3.16Å |
| 65 | D | 53.8 | Low | 61.9 | Low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -122.7 | 14.6 | -166.2 | -153 | 30.3 | 0 | 0 | 0 | 115.6 | S63 | S63-D65 PolarHBondContact O-N 2.62Š|
| 66 | D | 53 | Low | 62.2 | Low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -152.3 | 0.6 | 178.3 | -126.2 | -17 | 0 | 0 | 0 | 119.8 | ||
| 67 | D | 56.1 | Low | 62.9 | Low | 140 Ų | 140 | 117.9 Ų | 117.9 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -114 | 1.1 | -168.2 | -99.5 | -39.8 | 0 | 0 | 0 | 118.3 | P70 | D67-P70 WeakPolarHBondContact O-CD 3.41Š|
| 68 | D | 56.1 | Low | 63.1 | Low | 156 Ų | 156 | 118.1 Ų | 118.1 | 83% | 0.834 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -82.9 | -10.7 | 178.7 | -102.6 | -22.5 | 0 | 0 | 0 | 114.6 | ||
| 69 | A | 59.9 | Low | 62.9 | Low | 80 Ų | 80 | 123.2 Ų | 123.2 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.2 | -36 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 70 | P | 56.9 | Low | 62.8 | Low | 67 Ų | 67 | 122.7 Ų | 122.7 | 44% | 0.435 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -88.7 | -36.5 | -172 | 31.3 | -31.9 | 0 | 0 | 0 | 114.6 | D67 R73 L74 | D67-P70 WeakPolarHBondContact O-CD 3.41Å; P70-R73 PolarHBondContact O-N 3.4Å; P70-L74 PolarHBondContact O-N 2.88Å; P70-L74 VanDerWaalsContact O-N 3.16Å |
| 71 | L | 65.4 | Low | 63 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.6 | -43.9 | -169 | -161.6 | 78 | 0 | 0 | 0 | 112.2 | R73 L74 L75 | L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.95Å; L71-L74 PolarHBondContact O-N 3.45Å; L71-L75 PolarHBondContact O-N 3.04Å |
| 72 | N | 67.8 | Low | 63.1 | Low | 109 Ų | 109 | 124.7 Ų | 124.7 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.1 | -36 | -179 | -156.2 | -0.8 | 0 | 0 | 0 | 111.6 | L75 L76 | N72-L75 PolarHBondContact O-N 2.91Å; N72-L76 PolarHBondContact O-N 3.17Å |
| 73 | R | 71.1 | Confident | 63.2 | Low | 178 Ų | 178 | 121 Ų | 121 | 67% | 0.672 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.9 | -42.4 | 176.3 | -170.4 | 172.1 | 178 | 177.5 | 0.4 | 112.7 | P70 L71 L75 L76 D77 | P70-R73 PolarHBondContact O-N 3.4Å; L71-R73 VanDerWaalsContact C-N 3.3Å; L71-R73 PolarHBondContact O-N 2.95Å; R73-L75 VanDerWaalsContact C-N 3.27Å; R73-L75 PolarHBondContact O-N 3.38Å; R73-L76 PolarHBondContact O-N 3.02Å; R73-D77 PolarHBondContact O-N 3.47Å |
| 74 | L | 73.1 | Confident | 63.9 | Low | 113 Ų | 113 | 120.4 Ų | 120.4 | 59% | 0.592 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62 | -32 | 175.5 | -81.5 | 164.2 | 0 | 0 | 0 | 113.1 | P70 L71 R78 | P70-L74 PolarHBondContact O-N 2.88Å; P70-L74 VanDerWaalsContact O-N 3.16Å; L71-L74 PolarHBondContact O-N 3.45Å; L74-R78 PolarHBondContact O-N 3.27Å |
| 75 | L | 73.1 | Confident | 64.3 | Low | 99 Ų | 99 | 120.4 Ų | 120.4 | 52% | 0.518 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.4 | -42.5 | 175.4 | -69.9 | 171.4 | 0 | 0 | 0 | 112.1 | L71 N72 R73 R78 W79 | L71-L75 PolarHBondContact O-N 3.04Å; N72-L75 PolarHBondContact O-N 2.91Å; R73-L75 VanDerWaalsContact C-N 3.27Å; R73-L75 PolarHBondContact O-N 3.38Å; L75-R78 PolarHBondContact O-N 2.88Å; L75-W79 PolarHBondContact O-N 2.96Å; L75-W79 VanDerWaalsContact O-N 3.11Å |
| 76 | L | 70.3 | Confident | 64.9 | Low | 95 Ų | 95 | 119 Ų | 119 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.4 | -49.6 | 176.2 | -73.7 | 165.9 | 0 | 0 | 0 | 111.9 | N72 R73 R78 W79 I80 | N72-L76 PolarHBondContact O-N 3.17Å; R73-L76 PolarHBondContact O-N 3.02Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 2.7Å; L76-W79 PolarHBondContact O-N 2.86Å; L76-W79 VanDerWaalsContact O-N 3.11Å; L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 2.75Å |
| 77 | D | 74.3 | Confident | 65.6 | Low | 84 Ų | 84 | 116.4 Ų | 116.4 | 45% | 0.449 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.4 | -34.8 | -179.3 | -72.3 | -17.9 | 0 | 0 | 0 | 112 | R73 S81 | R73-D77 PolarHBondContact O-N 3.47Å; D77-S81 WeakPolarHBondContact O-CB 3.39Å; D77-S81 PolarHBondContact O-N 2.81Å; D77-S81 VanDerWaalsContact O-N 3.12Å; D77-S81 PolarHBondContact O-OG 2.78Å |
| 78 | R | 68.5 | Low | 66.1 | Low | 164 Ų | 164 | 115.1 Ų | 115.1 | 62% | 0.619 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.4 | -41.6 | 174 | -116.6 | 178.7 | 73 | -155 | 0.8 | 112.7 | L74 L75 L76 S81 E82 | L74-R78 PolarHBondContact O-N 3.27Å; L75-R78 PolarHBondContact O-N 2.88Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 2.7Å; R78-S81 PolarHBondContact O-N 2.78Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 2.82Å; R78-E82 VanDerWaalsContact O-N 3.11Å |
| 79 | W | 67.5 | Low | 66.8 | Low | 182 Ų | 182 | 111.3 Ų | 111.3 | 69% | 0.689 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -38.1 | -179.4 | -173.8 | 61.1 | 0 | 0 | 0 | 112.4 | L75 L76 S83 | L75-W79 PolarHBondContact O-N 2.96Å; L75-W79 VanDerWaalsContact O-N 3.11Å; L76-W79 PolarHBondContact O-N 2.86Å; L76-W79 VanDerWaalsContact O-N 3.11Å; W79-S83 WeakPolarHBondContact O-CB 3.46Å; W79-S83 PolarHBondContact O-OG 2.89Å |
| 80 | I | 64.8 | Low | 67.5 | Low | 111 Ų | 111 | 112.7 Ų | 112.7 | 57% | 0.569 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -43.5 | 173.8 | -64.5 | 164.7 | 0 | 0 | 0 | 110.5 | L76 | L76-I80 WeakPolarHBondContact O-CG1 3.48Å; L76-I80 PolarHBondContact O-N 2.75Å |
| 81 | S | 65.9 | Low | 68.4 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 74% | 0.741 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -76.7 | -22.3 | -174.4 | -56.3 | 0 | 0 | 0 | 0 | 115.3 | D77 R78 | D77-S81 WeakPolarHBondContact O-CB 3.39Å; D77-S81 PolarHBondContact O-N 2.81Å; D77-S81 VanDerWaalsContact O-N 3.12Å; D77-S81 PolarHBondContact O-OG 2.78Å; R78-S81 PolarHBondContact O-N 2.78Å |
| 82 | E | 61.9 | Low | 68.7 | Low | 158 Ų | 158 | 110.7 Ų | 110.7 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -0 | -177.8 | -157.6 | 160.3 | -148.8 | 0 | 0 | 112.5 | R78 | R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 PolarHBondContact O-N 2.82Å; R78-E82 VanDerWaalsContact O-N 3.11Å |
| 83 | S | 59.1 | Low | 69 | Low | 32 Ų | 32 | 108.9 Ų | 108.9 | 22% | 0.224 | 55% | 0.552 | C | S | . | * | trans | -97.8 | 100.2 | 178.1 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | W79 D85 | W79-S83 WeakPolarHBondContact O-CB 3.46Å; W79-S83 PolarHBondContact O-OG 2.89Å; S83-D85 PolarHBondContact O-N 2.84Å | ||
| 84 | D | 67 | Low | 69.3 | Low | 101 Ų | 101 | 104.1 Ų | 104.1 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | trans | -70.7 | 108.6 | 175 | -165.5 | -12.8 | 0 | 0 | 0 | 109.9 | E86 D87 | D84-E86 PolarHBondContact O-N 3.43Å; D84-E86 VanDerWaalsContact O-N 3.08Å; D84-E86 WeakPolarHBondContact OD1-CB 3.29Å; D84-E86 PolarHBondContact OD1-N 3.01Å; D84-D87 PolarHBondContact O-N 3.38Å | ||
| 85 | D | 63.7 | Low | 69.7 | Low | 129 Ų | 129 | 101.9 Ų | 101.9 | 69% | 0.69 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -54.1 | -29.1 | -178 | -74.3 | -40.4 | 0 | 0 | 0 | 112.8 | S83 D87 S89 | S83-D85 PolarHBondContact O-N 2.84Å; D85-D87 VanDerWaalsContact C-N 3.28Å; D85-D87 PolarHBondContact O-N 3.31Å; D85-S89 PolarHBondContact O-N 2.8Å; D85-S89 PolarHBondContact O-OG 3.09Å; D85-S89 VanDerWaalsContact O-OG 3.1Å |
| 86 | E | 67.8 | Low | 70.1 | Confident | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -32.1 | 175.9 | -73.1 | -69.7 | 159 | 0 | 0 | 112.1 | D84 K90 | D84-E86 PolarHBondContact O-N 3.43Å; D84-E86 VanDerWaalsContact O-N 3.08Å; D84-E86 WeakPolarHBondContact OD1-CB 3.29Å; D84-E86 PolarHBondContact OD1-N 3.01Å; E86-K90 WeakPolarHBondContact O-CE 3.4Å; E86-K90 VanDerWaalsContact O-CG 3.28Å; E86-K90 WeakPolarHBondContact O-CG 3.38Å; E86-K90 PolarHBondContact O-N 2.73Å; E86-K90 PolarHBondContact O-NZ 2.97Å |
| 87 | D | 68.2 | Low | 70.6 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -83.3 | -33.5 | -178.5 | -81.9 | -5.1 | 0 | 0 | 0 | 112.3 | D84 D85 K90 A91 | D84-D87 PolarHBondContact O-N 3.38Å; D85-D87 VanDerWaalsContact C-N 3.28Å; D85-D87 PolarHBondContact O-N 3.31Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 2.86Å; D87-K90 PolarHBondContact OD1-NZ 3.2Å; D87-A91 WeakPolarHBondContact O-CB 3.22Å; D87-A91 PolarHBondContact O-N 2.85Å |
| 88 | F | 66.4 | Low | 70.8 | Confident | 114 Ų | 114 | 104.9 Ų | 104.9 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 171.6 | -76.9 | -87 | 0 | 0 | 0 | 111.9 | K90 A91 L92 | F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 2.81Å; F88-A91 PolarHBondContact O-N 3.23Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.06Å |
| 89 | S | 69.3 | Low | 71.5 | Confident | 76 Ų | 76 | 100.5 Ų | 100.5 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | D85 S93 | D85-S89 PolarHBondContact O-N 2.8Å; D85-S89 PolarHBondContact O-OG 3.09Å; D85-S89 VanDerWaalsContact O-OG 3.1Å; S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 3.02Å; S89-S93 PolarHBondContact O-OG 3.23Å |
| 90 | K | 76.2 | Confident | 72.3 | Confident | 109 Ų | 109 | 98.8 Ų | 98.8 | 47% | 0.474 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.8 | -40.5 | 173.7 | -67.2 | 177.6 | -148 | 93.5 | 0 | 112.1 | E86 D87 F88 S93 A94 | E86-K90 WeakPolarHBondContact O-CE 3.4Å; E86-K90 VanDerWaalsContact O-CG 3.28Å; E86-K90 WeakPolarHBondContact O-CG 3.38Å; E86-K90 PolarHBondContact O-N 2.73Å; E86-K90 PolarHBondContact O-NZ 2.97Å; D87-K90 PolarHBondContact O-N 2.91Å; D87-K90 IonicContact OD1-NZ 2.86Å; D87-K90 PolarHBondContact OD1-NZ 3.2Å; F88-K90 VanDerWaalsContact C-N 3.31Å; F88-K90 PolarHBondContact O-N 2.81Å; K90-S93 WeakPolarHBondContact CA-OG 3.36Å; K90-S93 PolarHBondContact O-N 3.49Å; K90-S93 PolarHBondContact O-OG 2.94Å; K90-A94 WeakPolarHBondContact O-CB 3.34Å; K90-A94 PolarHBondContact O-N 3.38Å; K90-A94 VanDerWaalsContact O-N 3.1Å |
| 91 | A | 75.1 | Confident | 73.3 | Confident | 64 Ų | 64 | 95.3 Ų | 95.3 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | D87 F88 A94 | D87-A91 WeakPolarHBondContact O-CB 3.22Å; D87-A91 PolarHBondContact O-N 2.85Å; F88-A91 PolarHBondContact O-N 3.23Å; A91-A94 PolarHBondContact O-N 2.97Å |
| 92 | L | 71.1 | Confident | 74.3 | Confident | 84 Ų | 84 | 96.2 Ų | 96.2 | 44% | 0.44 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177 | -68.7 | 172.9 | 0 | 0 | 0 | 112.4 | F88 A94 D95 F98 | F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.06Å; L92-A94 PolarHBondContact O-N 3.35Å; L92-D95 PolarHBondContact O-N 3.36Å; L92-F98 HydrophobicContact CB-CD1 3.94Å; L92-F98 HydrophobicContact CB-CD2 4.41Å; L92-F98 HydrophobicContact CB-CE1 3.93Å; L92-F98 HydrophobicContact CB-CE2 4.4Å; L92-F98 HydrophobicContact CB-CG 4.19Å; L92-F98 HydrophobicContact CB-CZ 4.17Å; L92-F98 HydrophobicContact CD1-CE2 4.38Å; L92-F98 HydrophobicContact CD1-CZ 4.37Å; L92-F98 HydrophobicContact CD2-CD2 4.27Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 WeakPolarHBondContact O-CB 3.37Å; L92-F98 WeakPolarHBondContact O-CD1 3.21Å |
| 93 | S | 74.5 | Confident | 75.3 | Confident | 71 Ų | 71 | 95.6 Ų | 95.6 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.7 | -12.1 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | S89 K90 V99 | S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 3.02Å; S89-S93 PolarHBondContact O-OG 3.23Å; K90-S93 WeakPolarHBondContact CA-OG 3.36Å; K90-S93 PolarHBondContact O-N 3.49Å; K90-S93 PolarHBondContact O-OG 2.94Å; S93-V99 VanDerWaalsContact O-CG2 3.22Å; S93-V99 WeakPolarHBondContact O-CG2 3.2Å |
| 94 | A | 77.6 | Confident | 76.6 | Confident | 78 Ų | 78 | 98.3 Ų | 98.3 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -83.3 | -17.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K90 A91 L92 P96 | K90-A94 WeakPolarHBondContact O-CB 3.34Å; K90-A94 PolarHBondContact O-N 3.38Å; K90-A94 VanDerWaalsContact O-N 3.1Å; A91-A94 PolarHBondContact O-N 2.97Å; L92-A94 PolarHBondContact O-N 3.35Å; A94-P96 WeakPolarHBondContact O-CD 3.41Å |
| 95 | D | 81.8 | Confident | 77.4 | Confident | 65 Ų | 65 | 96 Ų | 96 | 35% | 0.348 | 52% | 0.524 | S | S | . | . | trans | -79.7 | 117.4 | 178.1 | -174.6 | -16 | 0 | 0 | 0 | 111.1 | L92 Q97 F98 V99 | L92-D95 PolarHBondContact O-N 3.36Å; D95-Q97 PolarHBondContact O-N 2.99Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.49Å; D95-Q97 PolarHBondContact OD1-N 3.15Å; D95-F98 HydrophobicContact CB-CB 4.01Å; D95-F98 PolarHBondContact O-N 3.33Å; D95-V99 WeakPolarHBondContact O-CG2 3.37Å; D95-V99 PolarHBondContact O-N 3.29Å | ||
| 96 | P | 81 | Confident | 78.4 | Confident | 104 Ų | 104 | 93.4 Ų | 93.4 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.1 | -29.4 | 177.1 | -23 | 34.7 | 0 | 0 | 0 | 114.2 | A94 K100 | A94-P96 WeakPolarHBondContact O-CD 3.41Å; P96-K100 VanDerWaalsContact O-CB 3.29Å; P96-K100 WeakPolarHBondContact O-CB 3.47Å; P96-K100 PolarHBondContact O-N 3.1Å |
| 97 | Q | 80.7 | Confident | 79.2 | Confident | 143 Ų | 143 | 93.9 Ų | 93.9 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.1 | -44.8 | 177.1 | -63.9 | -168.9 | -38.5 | 0 | 0 | 110.9 | D95 K100 G101 | D95-Q97 PolarHBondContact O-N 2.99Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.49Å; D95-Q97 PolarHBondContact OD1-N 3.15Å; Q97-K100 PolarHBondContact O-N 2.64Å; Q97-G101 PolarHBondContact O-N 3.18Å |
| 98 | F | 79.4 | Confident | 79.8 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 175.9 | -174.7 | -94.1 | 0 | 0 | 0 | 111.8 | L92 D95 K100 G101 K102 | L92-F98 HydrophobicContact CB-CD1 3.94Å; L92-F98 HydrophobicContact CB-CD2 4.41Å; L92-F98 HydrophobicContact CB-CE1 3.93Å; L92-F98 HydrophobicContact CB-CE2 4.4Å; L92-F98 HydrophobicContact CB-CG 4.19Å; L92-F98 HydrophobicContact CB-CZ 4.17Å; L92-F98 HydrophobicContact CD1-CE2 4.38Å; L92-F98 HydrophobicContact CD1-CZ 4.37Å; L92-F98 HydrophobicContact CD2-CD2 4.27Å; L92-F98 HydrophobicContact CD2-CE2 4.47Å; L92-F98 WeakPolarHBondContact O-CB 3.37Å; L92-F98 WeakPolarHBondContact O-CD1 3.21Å; D95-F98 HydrophobicContact CB-CB 4.01Å; D95-F98 PolarHBondContact O-N 3.33Å; F98-K100 VanDerWaalsContact C-N 3.33Å; F98-K100 PolarHBondContact O-N 3.22Å; F98-G101 PolarHBondContact O-N 3.23Å; F98-K102 WeakPolarHBondContact O-CB 3.39Å; F98-K102 PolarHBondContact O-N 3.28Å |
| 99 | V | 82.1 | Confident | 80.4 | Confident | 73 Ų | 73 | 95.5 Ų | 95.5 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | S93 D95 K103 | S93-V99 VanDerWaalsContact O-CG2 3.22Å; S93-V99 WeakPolarHBondContact O-CG2 3.2Å; D95-V99 WeakPolarHBondContact O-CG2 3.37Å; D95-V99 PolarHBondContact O-N 3.29Å; V99-K103 WeakPolarHBondContact O-CB 3.4Å; V99-K103 PolarHBondContact O-N 3.05Å |
| 100 | K | 85.9 | Confident | 80.6 | Confident | 145 Ų | 145 | 97.9 Ų | 97.9 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -48.7 | 175 | -175.1 | -174.5 | 174 | -168.6 | 0 | 111.5 | P96 Q97 F98 K102 K103 E104 | P96-K100 VanDerWaalsContact O-CB 3.29Å; P96-K100 WeakPolarHBondContact O-CB 3.47Å; P96-K100 PolarHBondContact O-N 3.1Å; Q97-K100 PolarHBondContact O-N 2.64Å; F98-K100 VanDerWaalsContact C-N 3.33Å; F98-K100 PolarHBondContact O-N 3.22Å; K100-K102 VanDerWaalsContact C-N 3.34Å; K100-K102 PolarHBondContact O-N 3.48Å; K100-K103 PolarHBondContact O-N 3.24Å; K100-E104 WeakPolarHBondContact O-CB 3.33Å; K100-E104 PolarHBondContact O-N 2.79Å |
| 101 | G | 84.3 | Confident | 80.2 | Confident | 39 Ų | 39 | 95.4 Ų | 95.4 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q97 F98 E104 A105 | Q97-G101 PolarHBondContact O-N 3.18Å; F98-G101 PolarHBondContact O-N 3.23Å; G101-E104 PolarHBondContact O-N 2.88Å; G101-A105 WeakPolarHBondContact O-CB 3.42Å; G101-A105 PolarHBondContact O-N 2.83Å |
| 102 | K | 86.8 | Confident | 79.9 | Confident | 124 Ų | 124 | 99 Ų | 99 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 174 | -174.7 | 177.4 | 179.8 | 177.9 | 0 | 111.8 | F98 K100 E104 A105 D106 | F98-K102 WeakPolarHBondContact O-CB 3.39Å; F98-K102 PolarHBondContact O-N 3.28Å; K100-K102 VanDerWaalsContact C-N 3.34Å; K100-K102 PolarHBondContact O-N 3.48Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.32Å; K102-A105 WeakPolarHBondContact O-CB 3.45Å; K102-A105 PolarHBondContact O-N 3.41Å; K102-D106 VanDerWaalsContact O-CG 3.24Å; K102-D106 PolarHBondContact O-N 2.85Å |
| 103 | K | 84 | Confident | 79.4 | Confident | 146 Ų | 146 | 97.5 Ų | 97.5 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -41.3 | 178 | -174.2 | -176.4 | 175.1 | -172.2 | 0 | 112.1 | V99 K100 D106 E107 | V99-K103 WeakPolarHBondContact O-CB 3.4Å; V99-K103 PolarHBondContact O-N 3.05Å; K100-K103 PolarHBondContact O-N 3.24Å; K103-D106 PolarHBondContact O-N 3.35Å; K103-E107 WeakPolarHBondContact O-CB 3.32Å; K103-E107 PolarHBondContact O-N 2.84Å |
| 104 | E | 85.4 | Confident | 78.3 | Confident | 88 Ų | 88 | 100.1 Ų | 100.1 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 177.1 | -170.5 | -178.2 | 147.6 | 0 | 0 | 112.1 | K100 G101 K102 K108 | K100-E104 WeakPolarHBondContact O-CB 3.33Å; K100-E104 PolarHBondContact O-N 2.79Å; G101-E104 PolarHBondContact O-N 2.88Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.32Å; E104-K108 HydrophobicContact CG-CD 4.41Å; E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 VanDerWaalsContact O-CG 3.28Å; E104-K108 WeakPolarHBondContact O-CG 3.22Å; E104-K108 PolarHBondContact O-N 2.82Å; E104-K108 VanDerWaalsContact OE1-CE 3.27Å; E104-K108 WeakPolarHBondContact OE1-CE 3.36Å; E104-K108 IonicContact OE1-NZ 2.6Å; E104-K108 PolarHBondContact OE1-NZ 2.93Å |
| 105 | A | 83.9 | Confident | 77.4 | Confident | 54 Ų | 54 | 102.6 Ų | 102.6 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G101 K102 E107 K108 E109 | G101-A105 WeakPolarHBondContact O-CB 3.42Å; G101-A105 PolarHBondContact O-N 2.83Å; K102-A105 WeakPolarHBondContact O-CB 3.45Å; K102-A105 PolarHBondContact O-N 3.41Å; A105-E107 VanDerWaalsContact C-N 3.31Å; A105-E107 PolarHBondContact O-N 2.97Å; A105-K108 CarbonylContact O-C 3.52Å; A105-K108 PolarHBondContact O-N 3.31Å; A105-E109 PolarHBondContact O-N 3.38Å |
| 106 | D | 84.1 | Confident | 76 | Confident | 74 Ų | 74 | 109.2 Ų | 109.2 | 40% | 0.396 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 177 | -65.6 | -19.9 | 0 | 0 | 0 | 111.1 | K102 K103 E109 Q110 | K102-D106 VanDerWaalsContact O-CG 3.24Å; K102-D106 PolarHBondContact O-N 2.85Å; K103-D106 PolarHBondContact O-N 3.35Å; D106-E109 PolarHBondContact O-N 3.4Å; D106-Q110 WeakPolarHBondContact O-CG 3.37Å; D106-Q110 PolarHBondContact O-N 2.9Å |
| 107 | E | 84.8 | Confident | 74.6 | Confident | 130 Ų | 130 | 113.5 Ų | 113.5 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.7 | -38.9 | 176.3 | -173 | 171 | 179.7 | 0 | 0 | 112.6 | K103 A105 S111 | K103-E107 WeakPolarHBondContact O-CB 3.32Å; K103-E107 PolarHBondContact O-N 2.84Å; A105-E107 VanDerWaalsContact C-N 3.31Å; A105-E107 PolarHBondContact O-N 2.97Å; E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.1Å |
| 108 | K | 82.4 | Confident | 73.3 | Confident | 107 Ų | 107 | 114.7 Ų | 114.7 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 172.1 | -76.6 | 174.1 | -173.3 | 171.6 | 0 | 112.3 | E104 A105 S111 K112 | E104-K108 HydrophobicContact CG-CD 4.41Å; E104-K108 WeakPolarHBondContact O-CB 3.35Å; E104-K108 VanDerWaalsContact O-CG 3.28Å; E104-K108 WeakPolarHBondContact O-CG 3.22Å; E104-K108 PolarHBondContact O-N 2.82Å; E104-K108 VanDerWaalsContact OE1-CE 3.27Å; E104-K108 WeakPolarHBondContact OE1-CE 3.36Å; E104-K108 IonicContact OE1-NZ 2.6Å; E104-K108 PolarHBondContact OE1-NZ 2.93Å; A105-K108 CarbonylContact O-C 3.52Å; A105-K108 PolarHBondContact O-N 3.31Å; K108-S111 WeakPolarHBondContact CA-OG 3.24Å; K108-S111 PolarHBondContact O-OG 2.77Å; K108-S111 VanDerWaalsContact O-OG 3.11Å; K108-K112 VanDerWaalsContact O-CB 3.31Å; K108-K112 WeakPolarHBondContact O-CB 3.41Å; K108-K112 WeakPolarHBondContact O-CD 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.18Å |
| 109 | E | 78.6 | Confident | 71.9 | Confident | 138 Ų | 138 | 116.6 Ų | 116.6 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.8 | -44.4 | 175.4 | -172 | 172.1 | -173.5 | 0 | 0 | 111.5 | A105 D106 S111 K112 S113 | A105-E109 PolarHBondContact O-N 3.38Å; D106-E109 PolarHBondContact O-N 3.4Å; E109-S111 PolarHBondContact O-N 3.21Å; E109-K112 PolarHBondContact O-N 3.21Å; E109-S113 WeakPolarHBondContact O-CB 3.39Å; E109-S113 PolarHBondContact O-N 3.43Å |
| 110 | Q | 74 | Confident | 70.1 | Confident | 125 Ų | 125 | 119.4 Ų | 119.4 | 58% | 0.584 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.8 | -48.1 | 175.7 | -73.2 | -168.7 | 29.6 | 0 | 0 | 111.6 | D106 K112 S113 F114 | D106-Q110 WeakPolarHBondContact O-CG 3.37Å; D106-Q110 PolarHBondContact O-N 2.9Å; Q110-K112 PolarHBondContact O-N 2.89Å; Q110-S113 WeakPolarHBondContact O-CA 3.25Å; Q110-S113 WeakPolarHBondContact O-CB 3.47Å; Q110-S113 PolarHBondContact O-N 3Å; Q110-S113 PolarHBondContact O-OG 3.31Å; Q110-F114 WeakPolarHBondContact O-CD2 3.39Å; Q110-F114 PolarHBondContact O-N 2.76Å |
| 111 | S | 67.6 | Low | 68.3 | Low | 57 Ų | 57 | 116.7 Ų | 116.7 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.2 | -39.9 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | E107 K108 E109 S113 F114 Q115 | E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 2.92Å; E107-S111 PolarHBondContact O-OG 3.1Å; K108-S111 WeakPolarHBondContact CA-OG 3.24Å; K108-S111 PolarHBondContact O-OG 2.77Å; K108-S111 VanDerWaalsContact O-OG 3.11Å; E109-S111 PolarHBondContact O-N 3.21Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.08Å; S111-F114 PolarHBondContact O-N 3.38Å; S111-Q115 PolarHBondContact O-N 3.42Å; S111-Q115 VanDerWaalsContact O-N 3.09Å |
| 112 | K | 68.4 | Low | 66.5 | Low | 140 Ų | 140 | 119.1 Ų | 119.1 | 61% | 0.609 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.2 | -38.3 | 169.3 | -76.9 | 172 | -178.6 | -177.7 | 0 | 112.1 | K108 E109 Q110 F114 Q115 R116 | K108-K112 VanDerWaalsContact O-CB 3.31Å; K108-K112 WeakPolarHBondContact O-CB 3.41Å; K108-K112 WeakPolarHBondContact O-CD 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.18Å; E109-K112 PolarHBondContact O-N 3.21Å; Q110-K112 PolarHBondContact O-N 2.89Å; K112-F114 PolarHBondContact O-N 3.34Å; K112-Q115 PolarHBondContact O-N 3.39Å; K112-R116 WeakPolarHBondContact O-CB 3.28Å; K112-R116 PolarHBondContact O-N 2.86Å |
| 113 | S | 60 | Low | 64.6 | Low | 52 Ų | 52 | 117.2 Ų | 117.2 | 36% | 0.364 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.9 | -34.1 | 178.6 | 86 | 0 | 0 | 0 | 0 | 112.9 | E109 Q110 S111 R117 | E109-S113 WeakPolarHBondContact O-CB 3.39Å; E109-S113 PolarHBondContact O-N 3.43Å; Q110-S113 WeakPolarHBondContact O-CA 3.25Å; Q110-S113 WeakPolarHBondContact O-CB 3.47Å; Q110-S113 PolarHBondContact O-N 3Å; Q110-S113 PolarHBondContact O-OG 3.31Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S113 PolarHBondContact O-N 3.08Å; S113-R117 PolarHBondContact O-N 2.55Å |
| 114 | F | 52.4 | Low | 63 | Low | 127 Ų | 127 | 118.1 Ų | 118.1 | 56% | 0.557 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.6 | -47.4 | 172 | -74.1 | -72.6 | 0 | 0 | 0 | 111.5 | Q110 S111 K112 R116 R117 E118 | Q110-F114 WeakPolarHBondContact O-CD2 3.39Å; Q110-F114 PolarHBondContact O-N 2.76Å; S111-F114 PolarHBondContact O-N 3.38Å; K112-F114 PolarHBondContact O-N 3.34Å; F114-R116 VanDerWaalsContact C-N 3.25Å; F114-R116 PolarHBondContact O-N 2.79Å; F114-R117 PolarHBondContact O-N 3.09Å; F114-E118 PolarHBondContact O-N 3.37Å |
| 115 | Q | 57.3 | Low | 61.3 | Low | 130 Ų | 130 | 118.5 Ų | 118.5 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.4 | -36.8 | 175.2 | -70 | -177.4 | 5 | 0 | 0 | 112.6 | S111 K112 R117 E118 L119 | S111-Q115 PolarHBondContact O-N 3.42Å; S111-Q115 VanDerWaalsContact O-N 3.09Å; K112-Q115 PolarHBondContact O-N 3.39Å; Q115-R117 VanDerWaalsContact C-N 3.3Å; Q115-R117 PolarHBondContact O-N 3.08Å; Q115-E118 PolarHBondContact O-N 3.41Å; Q115-L119 PolarHBondContact O-N 3.4Å |
| 116 | R | 53.3 | Low | 59.5 | Low | 204 Ų | 204 | 121.1 Ų | 121.1 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.5 | -19.8 | 178.4 | -143.5 | 177.2 | -166.9 | -173.8 | 4.3 | 113.7 | K112 F114 | K112-R116 WeakPolarHBondContact O-CB 3.28Å; K112-R116 PolarHBondContact O-N 2.86Å; F114-R116 VanDerWaalsContact C-N 3.25Å; F114-R116 PolarHBondContact O-N 2.79Å |
| 117 | R | 51.3 | Low | 57.8 | Low | 194 Ų | 194 | 124.9 Ų | 124.9 | 73% | 0.732 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -83.1 | -30.7 | 172 | -73.6 | -175.9 | -173.9 | -178.9 | 5.1 | 113 | S113 F114 Q115 | S113-R117 PolarHBondContact O-N 2.55Å; F114-R117 PolarHBondContact O-N 3.09Å; Q115-R117 VanDerWaalsContact C-N 3.3Å; Q115-R117 PolarHBondContact O-N 3.08Å |
| 118 | E | 53.2 | Low | 56.2 | Low | 167 Ų | 167 | 126.2 Ų | 126.2 | 78% | 0.78 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.6 | -26.1 | 177.8 | -66.6 | -161.2 | 154.7 | 0 | 0 | 113.6 | F114 Q115 L120 | F114-E118 PolarHBondContact O-N 3.37Å; Q115-E118 PolarHBondContact O-N 3.41Å; E118-L120 PolarHBondContact O-N 3.4Å |
| 119 | L | 51.2 | Low | 54.8 | Low | 135 Ų | 135 | 125.7 Ų | 125.7 | 71% | 0.707 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 4.2 | 179.3 | -73.4 | 170.2 | 0 | 0 | 0 | 115 | Q115 | Q115-L119 PolarHBondContact O-N 3.4Š|
| 120 | L | 42.6 | Very low | 53.2 | Low | 132 Ų | 132 | 126.8 Ų | 126.8 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -139.8 | 107.3 | 175.9 | -72.6 | 164.8 | 0 | 0 | 0 | 109.1 | E118 | E118-L120 PolarHBondContact O-N 3.4Š|
| 121 | P | 49.1 | Very low | 51.9 | Low | 87 Ų | 87 | 128.3 Ų | 128.3 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | S | Bend | cis | -143.5 | 64.7 | 33.3 | 41.3 | -19.7 | 0 | 0 | 0 | 115.4 | ||
| 122 | T | 46.3 | Very low | 51.1 | Low | 90 Ų | 90 | 129 Ų | 129 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -71.6 | -28.3 | 171.3 | 43 | 0 | 0 | 0 | 0 | 113.2 | K124 I125 V126 | T122-K124 PolarHBondContact O-N 3.34Å; T122-K124 VanDerWaalsContact O-N 3.15Å; T122-I125 PolarHBondContact O-N 3.1Å; T122-V126 PolarHBondContact O-N 2.89Å |
| 123 | A | 47.8 | Very low | 50 | Low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -59.1 | -25.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 124 | K | 48.8 | Very low | 49.4 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -92.5 | -3.4 | 175.7 | -72.7 | -172.5 | 175.7 | -178.6 | 0 | 114.3 | T122 | T122-K124 PolarHBondContact O-N 3.34Å; T122-K124 VanDerWaalsContact O-N 3.15Å |
| 125 | I | 50 | Low | 49.1 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | -36.6 | -179.1 | -62.1 | 176.9 | 0 | 0 | 0 | 110.8 | T122 E127 K128 V129 | T122-I125 PolarHBondContact O-N 3.1Å; I125-E127 VanDerWaalsContact C-N 3.3Å; I125-E127 PolarHBondContact O-N 2.77Å; I125-K128 PolarHBondContact O-N 3.19Å; I125-K128 VanDerWaalsContact O-N 3.16Å; I125-V129 HydrophobicContact CG2-CG2 4.18Å; I125-V129 WeakPolarHBondContact O-CG2 3.49Å; I125-V129 PolarHBondContact O-N 3.06Å; I125-V129 VanDerWaalsContact O-N 3.11Å |
| 126 | V | 47.4 | Very low | 48.2 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 66% | 0.655 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -60.2 | -38.6 | 179.6 | -177.5 | 0 | 0 | 0 | 0 | 112 | T122 | T122-V126 PolarHBondContact O-N 2.89Å |
| 127 | E | 47.5 | Very low | 47.7 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 72% | 0.715 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68.7 | -36.1 | 177.6 | -165.8 | 174.8 | -161.8 | 0 | 0 | 112.8 | I125 | I125-E127 VanDerWaalsContact C-N 3.3Å; I125-E127 PolarHBondContact O-N 2.77Å |
| 128 | K | 50.5 | Low | 47 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -75.7 | -28.7 | 179 | -76.2 | -168.4 | 172.4 | -171.4 | 0 | 113.9 | I125 Q130 Q131 A132 | I125-K128 PolarHBondContact O-N 3.19Å; I125-K128 VanDerWaalsContact O-N 3.16Å; K128-Q130 VanDerWaalsContact C-N 3.34Å; K128-Q131 PolarHBondContact O-N 3.46Å; K128-A132 PolarHBondContact O-N 2.99Å |
| 129 | V | 54.1 | Low | 46.6 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 58% | 0.576 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -69.6 | -31 | 178.7 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | I125 | I125-V129 HydrophobicContact CG2-CG2 4.18Å; I125-V129 WeakPolarHBondContact O-CG2 3.49Å; I125-V129 PolarHBondContact O-N 3.06Å; I125-V129 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 45.1 | Very low | 45.8 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -70.3 | -27.5 | 175 | -83.8 | -169.4 | -1.6 | 0 | 0 | 114.2 | K128 | K128-Q130 VanDerWaalsContact C-N 3.34Å |
| 131 | Q | 46.2 | Very low | 45.5 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -81.6 | -40.3 | 175.3 | -78.3 | -176.7 | -17.9 | 0 | 0 | 112.8 | K128 A133 R134 | K128-Q131 PolarHBondContact O-N 3.46Å; Q131-A133 PolarHBondContact O-N 3.25Å; Q131-R134 PolarHBondContact O-N 3.44Å |
| 132 | A | 51.3 | Low | 44.8 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 60% | 0.603 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -65.4 | -21.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K128 R134 | K128-A132 PolarHBondContact O-N 2.99Å; A132-R134 PolarHBondContact O-N 3.09Å |
| 133 | A | 44.8 | Very low | 44.7 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -5.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q131 | Q131-A133 PolarHBondContact O-N 3.25Š|
| 134 | R | 48.3 | Very low | 44.3 | Very low | 233 Ų | 233 | 145.1 Ų | 145.1 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -12.3 | 178.4 | -82.1 | -169.8 | 171.3 | -170.5 | -1.4 | 115.7 | Q131 A132 | Q131-R134 PolarHBondContact O-N 3.44Å; A132-R134 PolarHBondContact O-N 3.09Å |
| 135 | E | 44.3 | Very low | 44.1 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -119.1 | 88.1 | 179.7 | -67.9 | -165 | 176.4 | 0 | 0 | 111.6 | K137 | E135-K137 PolarHBondContact O-N 3.15Š| ||
| 136 | G | 39.5 | Very low | 43.5 | Very low | 85 Ų | 85 | 145 Ų | 145 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -69.2 | 98.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 137 | K | 42.4 | Very low | 43.1 | Very low | 204 Ų | 204 | 144.8 Ų | 144.8 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -132.4 | 129.9 | 154.8 | -92.1 | 178.9 | 179.6 | 171.6 | 0 | 110.7 | E135 | E135-K137 PolarHBondContact O-N 3.15Š| ||
| 138 | T | 37.5 | Very low | 43.4 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -74.2 | 159.3 | -172.2 | 35.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 139 | P | 44.9 | Very low | 42.8 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -86 | 136.4 | -160.2 | 32.7 | -35.3 | 0 | 0 | 0 | 113.5 | ||||
| 140 | Q | 33.7 | Very low | 41.8 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -95.5 | 114.4 | 157.8 | -82.1 | -174.1 | -43.9 | 0 | 0 | 110.3 | ||||
| 141 | K | 35.7 | Very low | 41.9 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | trans | -63.6 | 127.3 | 152.4 | -97.6 | 177.3 | 169 | 177.6 | 0 | 107.6 | ||||
| 142 | E | 36 | Very low | 41.2 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -168.2 | 119.9 | 136 | -109.5 | 159.6 | -147 | 0 | 0 | 112.7 | ||||
| 143 | I | 42.9 | Very low | 40.6 | Very low | 151 Ų | 151 | 145 Ų | 145 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | 37.2 | 128.4 | 141.4 | -52.8 | 176.6 | 0 | 0 | 0 | 119.2 | ||||
| 144 | P | 40.1 | Very low | 40.3 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | trans | -67.9 | 155.2 | -177.3 | 29.8 | -37.6 | 0 | 0 | 0 | 114.2 | T146 | P144-T146 PolarHBondContact O-N 3.03Š| ||
| 145 | P | 44.5 | Very low | 39.8 | Very low | 128 Ų | 128 | 144 Ų | 144 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -73.7 | 112.1 | -177.8 | 29.5 | -34.7 | 0 | 0 | 0 | 112.4 | ||||
| 146 | T | 36.5 | Very low | 39.6 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 131.8 | 162.1 | -39.5 | 0 | 0 | 0 | 0 | 108.9 | P144 | P144-T146 PolarHBondContact O-N 3.03Š|
| 147 | P | 39.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 68% | 0.682 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145.3 | -171.7 | 27 | -35.4 | 0 | 0 | 0 | 113 | ||
| 148 | P | 54 | Low | 39.4 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 132.9 | 178.3 | 29.3 | -34 | 0 | 0 | 0 | 112 | ||
| 149 | N | 38.1 | Very low | 39.6 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89 | 145.3 | 165.8 | -86.2 | -47.6 | 0 | 0 | 0 | 110.6 | ||
| 150 | S | 32.5 | Very low | 39.3 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 76.6 | 164.8 | 157.4 | -128.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 151 | P | 48.6 | Very low | 39.6 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | -136.6 | 176.8 | -85.8 | 42 | -25.8 | 0 | 0 | 0 | 115.3 | |||||
| 152 | A | 31.4 | Very low | 40.3 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | 51.2 | 110.9 | 146 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 153 | E | 37 | Very low | 40.3 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | 159.4 | 149.2 | 137 | -92.3 | -178.1 | -176.1 | 0 | 0 | 108.9 | ||||
| 154 | A | 38.4 | Very low | 40.4 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | cis | -148.1 | 165 | -18 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | K | 38 | Very low | 40.4 | Very low | 210 Ų | 210 | 134.3 Ų | 134.3 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | -49.4 | 132.3 | -177.1 | -58.7 | 160.2 | -178.7 | 173.8 | 0 | 113.8 | ||||
| 156 | S | 41 | Very low | 40 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -118.4 | 141.2 | 141.2 | -167.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 157 | A | 40.9 | Very low | 39.5 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | -118 | 169 | -173 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 158 | Q | 35.7 | Very low | 39.2 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 73.7 | 121.4 | -177.1 | -46.9 | 179.1 | -73 | 0 | 0 | 111.5 | ||||
| 159 | D | 42.8 | Very low | 37.9 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | -135.5 | 169.5 | 53.1 | -132 | -30.7 | 0 | 0 | 0 | 115.5 | |||||
| 160 | E | 38.3 | Very low | 37.5 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -91.2 | 174.9 | -166.1 | -66.8 | -162.4 | 138.5 | 0 | 0 | 116.9 | ||||
| 161 | A | 41 | Very low | 37.3 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 87 | 78.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 162 | K | 48.5 | Very low | 36.7 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | 160.2 | 116.9 | 119.7 | -88.1 | 168.1 | -175.1 | 179.5 | 0 | 109.7 | |||||
| 163 | S | 37.4 | Very low | 37.1 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | cis | 50.8 | 123.1 | 40.2 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 164 | N | 43.6 | Very low | 37 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | cis | -167.5 | 176 | 0.4 | -111.9 | 8.6 | 0 | 0 | 0 | 106.1 | ||||
| 165 | S | 41 | Very low | 36.7 | Very low | 82 Ų | 82 | 140 Ų | 140 | 57% | 0.573 | 79% | 0.785 | S | S | * | * | cis | -175.9 | 140.6 | -11.7 | 48.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 166 | N | 35.2 | Very low | 37 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | 158.2 | 137.9 | 90 | -109.5 | -0.4 | 0 | 0 | 0 | 106.7 | |||||
| 167 | T | 26.7 | Very low | 36.5 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 61% | 0.613 | 77% | 0.769 | S | S | * | * | 49.4 | 144.4 | 105.1 | 59.9 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 168 | E | 33.1 | Very low | 36.4 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -157.7 | 153.6 | 20.6 | -137.4 | 145.6 | -129.3 | 0 | 0 | 113 | ||||
| 169 | D | 27.3 | Very low | 36.6 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 16 | 147.4 | 143.7 | -65.6 | -36.7 | 0 | 0 | 0 | 123.7 | ||||
| 170 | G | 29.2 | Very low | 36.6 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -161.6 | 11.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 171 | H | 28.3 | Very low | 36.7 | Very low | 164 Ų | 164 | 132 Ų | 132 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 45.6 | 136.1 | 158.9 | -87.3 | -50.9 | 0 | 0 | 0 | 124.4 | ||||
| 172 | K | 36.5 | Very low | 36.6 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | trans | 72.9 | 97.5 | 142.7 | -68.2 | 175.7 | -174 | 178.2 | 0 | 119.6 | ||||
| 173 | A | 38.3 | Very low | 36.4 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -87 | 119 | 145.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 174 | A | 36.5 | Very low | 36.2 | Very low | 97 Ų | 97 | 133 Ų | 133 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -105.8 | 145.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 175 | K | 30.9 | Very low | 36.4 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -93 | -166.9 | 175.5 | -58.8 | -171.7 | 170.1 | -175.1 | 0 | 111 | ||||
| 176 | P | 45.5 | Very low | 36.8 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | -131.8 | -141.2 | -100.9 | 40.7 | -18.5 | 0 | 0 | 0 | 111.9 | |||||
| 177 | D | 29.6 | Very low | 37 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 79.8 | 101 | 158.8 | -62.9 | -32.3 | 0 | 0 | 0 | 120.3 | ||||
| 178 | A | 39 | Very low | 37.6 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -130.7 | 117.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 179 | A | 40.5 | Very low | 37.8 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -82.3 | 154.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 180 | S | 42.4 | Very low | 38.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -160.3 | 106.2 | 138 | -164 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 181 | K | 39.3 | Very low | 39.5 | Very low | 207 Ų | 207 | 138 Ų | 138 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | 33.9 | 107.2 | 143.9 | -66 | 175.8 | 176.3 | 173.8 | 0 | 119.9 | ||||
| 182 | G | 40.7 | Very low | 40.5 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -128.3 | 130 | 141.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 183 | K | 44 | Very low | 40.9 | Very low | 221 Ų | 221 | 136.6 Ų | 136.6 | 96% | 0.961 | 81% | 0.807 | S | S | * | * | trans | -86.2 | 124.5 | -179.5 | -80.7 | -174.4 | 169.6 | -170.1 | 0 | 111 | ||||
| 184 | A | 33 | Very low | 40.8 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -150.8 | 114.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 185 | A | 46.7 | Very low | 41 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -178.9 | 136.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 186 | D | 50.1 | Low | 41.4 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | cis | -136.6 | 178.1 | 22.3 | -118.5 | -31.6 | 0 | 0 | 0 | 108.2 | ||||
| 187 | E | 39.3 | Very low | 41.2 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | cis | -158.2 | 156.1 | 18.5 | -146.1 | 179.9 | 152.5 | 0 | 0 | 111.6 | ||||
| 188 | T | 40 | Very low | 41.4 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | 59.7 | 125.6 | 154.8 | 38.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 189 | V | 37.5 | Very low | 40.9 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -70.6 | 145.4 | 159.7 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 190 | E | 50.9 | Low | 41.1 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -138.9 | 149.4 | 148 | -100.9 | -57 | 163.6 | 0 | 0 | 110.8 | ||||
| 191 | E | 40.1 | Very low | 41 | Very low | 118 Ų | 118 | 149 Ų | 149 | 55% | 0.551 | 80% | 0.797 | S | S | * | * | trans | -110.9 | 103.5 | -162 | -178.9 | 178.3 | -169.5 | 0 | 0 | 111.4 | K193 | E191-K193 HydrophobicContact CG-CG 4.43Å; E191-K193 WeakPolarHBondContact OE1-CD 3.42Å; E191-K193 WeakPolarHBondContact OE1-CE 3.46Å; E191-K193 IonicContact OE1-NZ 2.78Å; E191-K193 PolarHBondContact OE1-NZ 3.25Å | ||
| 192 | N | 50.6 | Low | 41.2 | Very low | 170 Ų | 170 | 145 Ų | 145 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -98.6 | 86.9 | 168.2 | -84.2 | -39.5 | 0 | 0 | 0 | 110.9 | ||||
| 193 | K | 43.6 | Very low | 41.1 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | trans | -86.4 | 157.9 | 148.9 | -71 | 169 | 179.8 | 153.2 | 0 | 108.3 | E191 | E191-K193 HydrophobicContact CG-CG 4.43Å; E191-K193 WeakPolarHBondContact OE1-CD 3.42Å; E191-K193 WeakPolarHBondContact OE1-CE 3.46Å; E191-K193 IonicContact OE1-NZ 2.78Å; E191-K193 PolarHBondContact OE1-NZ 3.25Å | ||
| 194 | D | 36.7 | Very low | 40.9 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 95.5 | 116.3 | -175.5 | -53.1 | -21.6 | 0 | 0 | 0 | 111.8 | ||||
| 195 | D | 41.6 | Very low | 41.2 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | cis | -158 | 155.4 | 35.5 | -141.4 | -25.6 | 0 | 0 | 0 | 113 | Q197 | D195-Q197 PolarHBondContact O-N 2.93Š| ||
| 196 | K | 39.4 | Very low | 41.3 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -85.7 | 105.3 | 173.3 | -76.9 | 178.2 | 178.7 | 172.7 | 0 | 109.9 | ||||
| 197 | Q | 40.4 | Very low | 40.7 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -111.8 | 116.4 | 154.6 | -68.5 | -161.8 | 2.4 | 0 | 0 | 110.9 | D195 | D195-Q197 PolarHBondContact O-N 2.93Š| ||
| 198 | Q | 33 | Very low | 41.1 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -97.1 | 151.9 | 178.1 | -65.2 | -179.4 | -35.5 | 0 | 0 | 110.3 | ||||
| 199 | Q | 29.8 | Very low | 41 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 75.2 | 158.4 | 156.9 | -74.6 | -168.9 | -2.4 | 0 | 0 | 119.5 | ||||
| 200 | P | 44 | Very low | 41.2 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | cis | -116.3 | 160.8 | 0.7 | 21.2 | 0.4 | 0 | 0 | 0 | 115.4 | ||||
| 201 | P | 39.9 | Very low | 40.3 | Very low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -73.9 | 153.5 | 175.5 | 31.8 | -35.6 | 0 | 0 | 0 | 112.9 | A203 | P201-A203 PolarHBondContact O-N 3.28Š| ||
| 202 | T | 43.4 | Very low | 40.3 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -66.3 | 124.1 | 178.1 | 33.7 | 0 | 0 | 0 | 0 | 112.5 | Y204 | T202-Y204 PolarHBondContact O-N 3.08Š| ||
| 203 | A | 40.1 | Very low | 39.8 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | -72.3 | 111.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P201 A205 | P201-A203 PolarHBondContact O-N 3.28Å; A203-A205 PolarHBondContact O-N 3.11Å; A203-A205 VanDerWaalsContact O-N 3.1Å | ||
| 204 | Y | 39.3 | Very low | 39.3 | Very low | 229 Ų | 229 | 147.3 Ų | 147.3 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 101 | 165.2 | -83.2 | -94.9 | 0 | 0 | 0 | 109.5 | T202 | T202-Y204 PolarHBondContact O-N 3.08Š| ||
| 205 | A | 39.4 | Very low | 39.5 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -137.5 | 81.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A203 | A203-A205 PolarHBondContact O-N 3.11Å; A203-A205 VanDerWaalsContact O-N 3.1Å | ||
| 206 | N | 47.7 | Very low | 39.5 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -146.5 | 108.5 | 149.4 | -121.1 | -9.6 | 0 | 0 | 0 | 110.6 | ||||
| 207 | K | 39.1 | Very low | 39.7 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 131.4 | 162.4 | -66.9 | 175.2 | 155 | -136.3 | 0 | 107.7 | E209 | K207-E209 IonicContact NZ-OE1 2.78Å; K207-E209 PolarHBondContact NZ-OE1 3.11Å | ||
| 208 | V | 47.6 | Very low | 40.1 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -129.7 | 100.9 | 146.2 | 179 | 0 | 0 | 0 | 0 | 106 | ||||
| 209 | E | 36.8 | Very low | 41.1 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -70.7 | 129.1 | 167.2 | -70.5 | 155.2 | -167 | 0 | 0 | 106.8 | K207 | K207-E209 IonicContact NZ-OE1 2.78Å; K207-E209 PolarHBondContact NZ-OE1 3.11Å | ||
| 210 | G | 41.4 | Very low | 42 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -162.3 | 72 | -170.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 211 | E | 33.2 | Very low | 42.8 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 128.2 | 179.1 | -57.1 | 177.8 | 128.8 | 0 | 0 | 109.8 | ||||
| 212 | E | 38.8 | Very low | 43.8 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | 179.1 | 143 | 119.2 | -98.3 | -178.6 | -167.1 | 0 | 0 | 113.1 | |||||
| 213 | N | 40 | Very low | 44.3 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 63.8 | 79.5 | 159 | -59.3 | -38.5 | 0 | 0 | 0 | 119 | S215 | N213-S215 PolarHBondContact O-N 3.02Š| ||
| 214 | T | 34.4 | Very low | 45.6 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -59.6 | 78.7 | 160.9 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | K216 | T214-K216 PolarHBondContact O-N 3.29Å; T214-K216 VanDerWaalsContact O-N 3.15Å | ||
| 215 | S | 40.5 | Very low | 47.5 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -71 | 105.3 | 154.4 | -79.8 | 0 | 0 | 0 | 0 | 108.7 | N213 S217 | N213-S215 PolarHBondContact O-N 3.02Å; S215-S217 PolarHBondContact O-N 3.12Å | ||
| 216 | K | 42.1 | Very low | 49.4 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -53.8 | 128.6 | -172.9 | -67.4 | 168 | -176.8 | 168.5 | 0 | 110.7 | T214 N218 | T214-K216 PolarHBondContact O-N 3.29Å; T214-K216 VanDerWaalsContact O-N 3.15Å; K216-N218 PolarHBondContact O-N 3.11Å | ||
| 217 | S | 43.2 | Very low | 51 | Low | 93 Ų | 93 | 147.3 Ų | 147.3 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | -54 | 123.8 | 169.4 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | S215 R219 | S215-S217 PolarHBondContact O-N 3.12Å; S217-R219 PolarHBondContact O-N 3.37Å | ||
| 218 | N | 48.6 | Very low | 52.8 | Low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -64.2 | 84 | 151 | -95.4 | -7.3 | 0 | 0 | 0 | 106.5 | K216 F220 | K216-N218 PolarHBondContact O-N 3.11Å; N218-F220 PolarHBondContact O-N 3.24Å | ||
| 219 | R | 54.7 | Low | 54.3 | Low | 221 Ų | 221 | 138 Ų | 138 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -81.8 | 9.1 | -178.2 | -153.8 | -167 | 176.3 | 179.5 | 1 | 112.6 | S217 E221 | S217-R219 PolarHBondContact O-N 3.37Å; R219-E221 PolarHBondContact O-N 3.09Å | ||
| 220 | F | 48 | Very low | 56.3 | Low | 184 Ų | 184 | 133.9 Ų | 133.9 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | trans | -69 | 86.4 | 147.2 | -59.9 | -74.8 | 0 | 0 | 0 | 106.1 | N218 E222 | N218-F220 PolarHBondContact O-N 3.24Å; F220-E222 PolarHBondContact O-N 2.95Å | ||
| 221 | E | 59.5 | Low | 58.2 | Low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | trans | -50.7 | 107.6 | 142.5 | -84.7 | 176.1 | 138.4 | 0 | 0 | 104.2 | R219 I223 | R219-E221 PolarHBondContact O-N 3.09Å; E221-I223 VanDerWaalsContact C-N 3.34Å; E221-I223 PolarHBondContact O-N 2.96Å | ||
| 222 | E | 61.3 | Low | 60.3 | Low | 165 Ų | 165 | 132.2 Ų | 132.2 | 77% | 0.771 | 65% | 0.654 | S | S | * | * | trans | -57.7 | 104.8 | 175.3 | -173.8 | 167.1 | -162.3 | 0 | 0 | 105.7 | F220 E224 | F220-E222 PolarHBondContact O-N 2.95Å; E222-E224 HydrophobicContact CG-CG 4.5Å; E222-E224 PolarHBondContact O-N 3.33Å | ||
| 223 | I | 55.5 | Low | 62.3 | Low | 158 Ų | 158 | 128.6 Ų | 128.6 | 81% | 0.81 | 64% | 0.637 | S | S | * | * | trans | -69.6 | 85.2 | 168.5 | -58.1 | 176.5 | 0 | 0 | 0 | 103.2 | E221 D225 | E221-I223 VanDerWaalsContact C-N 3.34Å; E221-I223 PolarHBondContact O-N 2.96Å; I223-D225 PolarHBondContact O-N 3Å | ||
| 224 | E | 66.9 | Low | 64 | Low | 70 Ų | 70 | 125.1 Ų | 125.1 | 33% | 0.327 | 62% | 0.618 | S | S | . | * | trans | -50.1 | 119 | 172.2 | -72.6 | -174 | 164.8 | 0 | 0 | 106.3 | E222 W226 R232 | E222-E224 HydrophobicContact CG-CG 4.5Å; E222-E224 PolarHBondContact O-N 3.33Å; E224-W226 PolarHBondContact O-N 3.04Å; E224-R232 IonicContact OE1-CZ 3.65Å; E224-R232 IonicContact OE1-NH1 3.06Å; E224-R232 PolarHBondContact OE1-NH1 2.94Å; E224-R232 IonicContact OE1-NH2 3.89Å; E224-R232 PolarHBondContact OE1-NH2 3.03Å; E224-R232 IonicContact OE2-CZ 3.15Å; E224-R232 IonicContact OE2-NH1 2.62Å; E224-R232 PolarHBondContact OE2-NH1 3.33Å; E224-R232 IonicContact OE2-NH2 3.16Å | ||
| 225 | D | 79.8 | Confident | 65.7 | Low | 106 Ų | 106 | 120.8 Ų | 120.8 | 57% | 0.567 | 60% | 0.596 | S | S | * | * | trans | -48.7 | 134.4 | 175.4 | -94.2 | -26.9 | 0 | 0 | 0 | 107.6 | I223 K227 T228 A229 | I223-D225 PolarHBondContact O-N 3Å; D225-K227 CarbonylContact O-C 3.59Å; D225-K227 PolarHBondContact O-N 2.74Å; D225-T228 WeakPolarHBondContact O-CA 3.2Å; D225-T228 VanDerWaalsContact O-CB 3.32Å; D225-T228 WeakPolarHBondContact O-CB 3.28Å; D225-T228 PolarHBondContact O-N 2.86Å; D225-A229 PolarHBondContact O-N 3.25Å; D225-A229 VanDerWaalsContact O-N 3.09Å | ||
| 226 | W | 78.4 | Confident | 67.2 | Low | 181 Ų | 181 | 119 Ų | 119 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53.4 | -26.3 | -178.6 | 60.7 | -92.1 | 0 | 0 | 0 | 111.9 | E224 V230 | E224-W226 PolarHBondContact O-N 3.04Å; W226-V230 WeakPolarHBondContact O-CB 3.46Å; W226-V230 VanDerWaalsContact O-CG2 3.22Å; W226-V230 WeakPolarHBondContact O-CG2 3.48Å; W226-V230 PolarHBondContact O-N 3.38Å |
| 227 | K | 80.4 | Confident | 68.4 | Low | 124 Ų | 124 | 118.1 Ų | 118.1 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -48.6 | 169.6 | -62.4 | -179.5 | 179.4 | 177.7 | 0 | 112.5 | D225 V230 L231 | D225-K227 CarbonylContact O-C 3.59Å; D225-K227 PolarHBondContact O-N 2.74Å; K227-V230 PolarHBondContact O-N 3.33Å; K227-L231 WeakPolarHBondContact O-CB 3.26Å; K227-L231 VanDerWaalsContact O-CG 3.24Å; K227-L231 WeakPolarHBondContact O-CG 3.49Å; K227-L231 PolarHBondContact O-N 3.35Å |
| 228 | T | 77.1 | Confident | 69.3 | Low | 58 Ų | 58 | 122.2 Ų | 122.2 | 36% | 0.356 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -43.4 | 176.8 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | D225 L231 R232 | D225-T228 WeakPolarHBondContact O-CA 3.2Å; D225-T228 VanDerWaalsContact O-CB 3.32Å; D225-T228 WeakPolarHBondContact O-CB 3.28Å; D225-T228 PolarHBondContact O-N 2.86Å; T228-L231 PolarHBondContact O-N 3.41Å; T228-R232 WeakPolarHBondContact O-CB 3.4Å; T228-R232 PolarHBondContact O-N 3.47Å |
| 229 | A | 80.1 | Confident | 69.4 | Low | 43 Ų | 43 | 121.6 Ų | 121.6 | 36% | 0.355 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.6 | -47.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D225 R232 E233 | D225-A229 PolarHBondContact O-N 3.25Å; D225-A229 VanDerWaalsContact O-N 3.09Å; A229-R232 PolarHBondContact O-N 3.4Å; A229-E233 PolarHBondContact O-N 3.05Å |
| 230 | V | 78.9 | Confident | 69.6 | Low | 65 Ų | 65 | 118.9 Ų | 118.9 | 39% | 0.394 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -39.3 | 175.7 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | W226 K227 E233 I234 | W226-V230 WeakPolarHBondContact O-CB 3.46Å; W226-V230 VanDerWaalsContact O-CG2 3.22Å; W226-V230 WeakPolarHBondContact O-CG2 3.48Å; W226-V230 PolarHBondContact O-N 3.38Å; K227-V230 PolarHBondContact O-N 3.33Å; V230-E233 PolarHBondContact O-N 3.26Å; V230-I234 HydrophobicContact CG1-CD1 3.67Å; V230-I234 HydrophobicContact CG1-CG1 4.35Å; V230-I234 WeakPolarHBondContact O-CB 3.41Å; V230-I234 WeakPolarHBondContact O-CG1 3.41Å; V230-I234 PolarHBondContact O-N 3.35Å |
| 231 | L | 79.9 | Confident | 69.7 | Low | 82 Ų | 82 | 116.5 Ų | 116.5 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.3 | -41 | 176 | -75.8 | 170.4 | 0 | 0 | 0 | 112.3 | K227 T228 E233 I234 A235 | K227-L231 WeakPolarHBondContact O-CB 3.26Å; K227-L231 VanDerWaalsContact O-CG 3.24Å; K227-L231 WeakPolarHBondContact O-CG 3.49Å; K227-L231 PolarHBondContact O-N 3.35Å; T228-L231 PolarHBondContact O-N 3.41Å; L231-E233 VanDerWaalsContact C-N 3.35Å; L231-I234 PolarHBondContact O-N 2.87Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å |
| 232 | R | 79.2 | Confident | 69.1 | Low | 142 Ų | 142 | 114 Ų | 114 | 54% | 0.536 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.2 | -43.3 | 173.5 | -174.6 | -174.2 | -73.5 | 145.6 | -2.5 | 111 | E224 T228 A229 A235 A236 | E224-R232 IonicContact OE1-CZ 3.65Å; E224-R232 IonicContact OE1-NH1 3.06Å; E224-R232 PolarHBondContact OE1-NH1 2.94Å; E224-R232 IonicContact OE1-NH2 3.89Å; E224-R232 PolarHBondContact OE1-NH2 3.03Å; E224-R232 IonicContact OE2-CZ 3.15Å; E224-R232 IonicContact OE2-NH1 2.62Å; E224-R232 PolarHBondContact OE2-NH1 3.33Å; E224-R232 IonicContact OE2-NH2 3.16Å; T228-R232 WeakPolarHBondContact O-CB 3.4Å; T228-R232 PolarHBondContact O-N 3.47Å; A229-R232 PolarHBondContact O-N 3.4Å; R232-A235 PolarHBondContact O-N 3.16Å; R232-A236 WeakPolarHBondContact O-CB 3.35Å; R232-A236 PolarHBondContact O-N 3.47Å |
| 233 | E | 80.5 | Confident | 68.4 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.7 | -41.8 | 176.2 | 179.3 | 166.1 | -137.2 | 0 | 0 | 112.1 | A229 V230 L231 A236 R237 | A229-E233 PolarHBondContact O-N 3.05Å; V230-E233 PolarHBondContact O-N 3.26Å; L231-E233 VanDerWaalsContact C-N 3.35Å; E233-A236 PolarHBondContact O-N 3.22Å; E233-R237 HydrophobicContact CG-CG 4.27Å; E233-R237 VanDerWaalsContact CG-NE 3.34Å; E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 WeakPolarHBondContact O-CG 3.49Å; E233-R237 PolarHBondContact O-N 3.29Å; E233-R237 IonicContact OE1-CZ 2.7Å; E233-R237 IonicContact OE1-NE 3.16Å; E233-R237 PolarHBondContact OE1-NE 3.13Å; E233-R237 VanDerWaalsContact OE1-NE 3.15Å; E233-R237 IonicContact OE1-NH2 2.75Å; E233-R237 PolarHBondContact OE1-NH2 2.99Å |
| 234 | I | 74.5 | Confident | 67.9 | Low | 62 Ų | 62 | 106.2 Ų | 106.2 | 32% | 0.318 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 174.5 | -71.7 | 167.1 | 0 | 0 | 0 | 110.8 | V230 L231 R237 R238 | V230-I234 HydrophobicContact CG1-CD1 3.67Å; V230-I234 HydrophobicContact CG1-CG1 4.35Å; V230-I234 WeakPolarHBondContact O-CB 3.41Å; V230-I234 WeakPolarHBondContact O-CG1 3.41Å; V230-I234 PolarHBondContact O-N 3.35Å; L231-I234 PolarHBondContact O-N 2.87Å; I234-R237 PolarHBondContact O-N 2.73Å; I234-R238 HydrophobicContact CG2-CG 4.15Å; I234-R238 VanDerWaalsContact O-CB 3.25Å; I234-R238 WeakPolarHBondContact O-CB 3.49Å; I234-R238 VanDerWaalsContact O-CG 3.29Å; I234-R238 WeakPolarHBondContact O-CG 3.43Å; I234-R238 PolarHBondContact O-N 2.93Å |
| 235 | A | 70.3 | Confident | 67.4 | Low | 45 Ų | 45 | 108.4 Ų | 108.4 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -49.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L231 R232 R237 R238 | L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å; R232-A235 PolarHBondContact O-N 3.16Å; A235-R237 VanDerWaalsContact C-N 3.31Å; A235-R237 PolarHBondContact O-N 3.1Å; A235-R238 PolarHBondContact O-N 3.23Å |
| 236 | A | 72.1 | Confident | 66.1 | Low | 84 Ų | 84 | 113.4 Ų | 113.4 | 69% | 0.694 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.2 | -31.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R232 E233 | R232-A236 WeakPolarHBondContact O-CB 3.35Å; R232-A236 PolarHBondContact O-N 3.47Å; E233-A236 PolarHBondContact O-N 3.22Å |
| 237 | R | 68.6 | Low | 64.9 | Low | 174 Ų | 174 | 109.2 Ų | 109.2 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -82.3 | -24.3 | 177.2 | -73.4 | 177 | -179.1 | -155 | 1.8 | 113.9 | E233 I234 A235 | E233-R237 HydrophobicContact CG-CG 4.27Å; E233-R237 VanDerWaalsContact CG-NE 3.34Å; E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 WeakPolarHBondContact O-CG 3.49Å; E233-R237 PolarHBondContact O-N 3.29Å; E233-R237 IonicContact OE1-CZ 2.7Å; E233-R237 IonicContact OE1-NE 3.16Å; E233-R237 PolarHBondContact OE1-NE 3.13Å; E233-R237 VanDerWaalsContact OE1-NE 3.15Å; E233-R237 IonicContact OE1-NH2 2.75Å; E233-R237 PolarHBondContact OE1-NH2 2.99Å; I234-R237 PolarHBondContact O-N 2.73Å; A235-R237 VanDerWaalsContact C-N 3.31Å; A235-R237 PolarHBondContact O-N 3.1Å |
| 238 | R | 62.2 | Low | 63.8 | Low | 179 Ų | 179 | 112.1 Ų | 112.1 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -88.2 | -39 | -171.7 | -80.5 | -172 | 174.6 | 175.5 | -0.1 | 114.5 | I234 A235 | I234-R238 HydrophobicContact CG2-CG 4.15Å; I234-R238 VanDerWaalsContact O-CB 3.25Å; I234-R238 WeakPolarHBondContact O-CB 3.49Å; I234-R238 VanDerWaalsContact O-CG 3.29Å; I234-R238 WeakPolarHBondContact O-CG 3.43Å; I234-R238 PolarHBondContact O-N 2.93Å; A235-R238 PolarHBondContact O-N 3.23Å |
| 239 | H | 48.9 | Very low | 63.1 | Low | 139 Ų | 139 | 112.4 Ų | 112.4 | 64% | 0.644 | 59% | 0.594 | S | S | * | * | trans | -143.1 | 153.1 | -171.4 | -67.4 | -66.7 | 0 | 0 | 0 | 116.2 | L241 | H239-L241 HydrophobicContact CB-CG 4.32Å; H239-L241 PolarHBondContact O-N 3.25Å | ||
| 240 | D | 58.8 | Low | 62.2 | Low | 164 Ų | 164 | 114.6 Ų | 114.6 | 88% | 0.877 | 60% | 0.598 | S | S | * | * | trans | -62.3 | 30.1 | 172 | -151.1 | 12.3 | 0 | 0 | 0 | 113.7 | V242 | D240-V242 VanDerWaalsContact C-N 3.32Å; D240-V242 PolarHBondContact O-N 2.88Å | ||
| 241 | L | 50.5 | Low | 61.3 | Low | 135 Ų | 135 | 113.6 Ų | 113.6 | 71% | 0.707 | 59% | 0.593 | S | S | * | * | trans | -75.2 | 92.3 | 172.2 | -72.4 | 172.8 | 0 | 0 | 0 | 107.6 | H239 V243 | H239-L241 HydrophobicContact CB-CG 4.32Å; H239-L241 PolarHBondContact O-N 3.25Å; L241-V243 VanDerWaalsContact C-N 3.32Å; L241-V243 PolarHBondContact O-N 3.46Å | ||
| 242 | V | 46.3 | Very low | 60.3 | Low | 123 Ų | 123 | 115.5 Ų | 115.5 | 75% | 0.745 | 61% | 0.608 | S | S | * | * | trans | -45.5 | 102.7 | 156.8 | 177 | 0 | 0 | 0 | 0 | 107.2 | D240 S244 | D240-V242 VanDerWaalsContact C-N 3.32Å; D240-V242 PolarHBondContact O-N 2.88Å; V242-S244 PolarHBondContact O-N 2.95Å | ||
| 243 | V | 47.4 | Very low | 59.5 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | trans | -66.9 | 91.8 | 165.7 | 179.9 | 0 | 0 | 0 | 0 | 104.8 | L241 | L241-V243 VanDerWaalsContact C-N 3.32Å; L241-V243 PolarHBondContact O-N 3.46Å | ||
| 244 | S | 45.1 | Very low | 58.7 | Low | 45 Ų | 45 | 117.1 Ų | 117.1 | 32% | 0.315 | 62% | 0.615 | S | S | . | * | trans | -52.7 | 125 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | V242 Y246 D247 | V242-S244 PolarHBondContact O-N 2.95Å; S244-Y246 PolarHBondContact O-N 3.31Å; S244-D247 PolarHBondContact O-N 2.91Å | ||
| 245 | P | 57.4 | Low | 58.1 | Low | 115 Ų | 115 | 118.5 Ų | 118.5 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 0.6 | -177.6 | 27 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 246 | Y | 51 | Low | 57.4 | Low | 212 Ų | 212 | 120.7 Ų | 120.7 | 83% | 0.831 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -10.5 | 174.8 | -56.7 | -73.3 | 0 | 0 | 0 | 114.1 | S244 | S244-Y246 PolarHBondContact O-N 3.31Š|
| 247 | D | 53.2 | Low | 56.7 | Low | 93 Ų | 93 | 123.6 Ų | 123.6 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -98.9 | 106.9 | 167.5 | -103.9 | -65.4 | 0 | 0 | 0 | 108 | S244 G249 K255 | S244-D247 PolarHBondContact O-N 2.91Å; D247-G249 VanDerWaalsContact C-N 3.31Å; D247-G249 PolarHBondContact O-N 3.02Å; D247-K255 IonicContact OD1-NZ 2.64Å; D247-K255 PolarHBondContact OD1-NZ 3.47Å |
| 248 | E | 58.4 | Low | 56.1 | Low | 184 Ų | 184 | 120.1 Ų | 120.1 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | trans | -66.7 | 86.6 | 177.7 | -68.9 | -174.2 | 160.2 | 0 | 0 | 111.4 | I250 | E248-I250 PolarHBondContact O-N 2.76Š| ||
| 249 | G | 62.4 | Low | 55.6 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 67.7 | -10.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | D247 P251 | D247-G249 VanDerWaalsContact C-N 3.31Å; D247-G249 PolarHBondContact O-N 3.02Å; G249-P251 WeakPolarHBondContact O-CD 3.44Å |
| 250 | I | 60.3 | Low | 55.8 | Low | 89 Ų | 89 | 115.5 Ų | 115.5 | 46% | 0.456 | 62% | 0.623 | S | S | . | * | trans | -105.8 | 108.3 | -175.2 | -54.5 | 176.6 | 0 | 0 | 0 | 110.3 | E248 M254 K255 | E248-I250 PolarHBondContact O-N 2.76Å; I250-M254 HydrophobicContact CG2-CB 3.67Å; I250-K255 HydrophobicContact CB-CG 4.28Å; I250-K255 HydrophobicContact CG2-CB 4.43Å; I250-K255 HydrophobicContact CG2-CG 3.69Å; I250-K255 WeakPolarHBondContact O-CE 3.35Å | ||
| 251 | P | 60.4 | Low | 55.8 | Low | 43 Ų | 43 | 116.6 Ų | 116.6 | 28% | 0.279 | 62% | 0.623 | S | S | . | * | trans | -53 | 145.4 | 169.9 | -25.5 | 34.8 | 0 | 0 | 0 | 111.4 | G249 W253 M254 K255 | G249-P251 WeakPolarHBondContact O-CD 3.44Å; P251-W253 HydrophobicContact CB-CG 4.37Å; P251-W253 VanDerWaalsContact CB-NE1 3.3Å; P251-W253 PolarHBondContact O-N 2.78Å; P251-M254 HydrophobicContact CG-SD 4.28Å; P251-M254 WeakPolarHBondContact O-CA 3.22Å; P251-M254 WeakPolarHBondContact O-CB 3.14Å; P251-M254 PolarHBondContact O-N 2.85Å; P251-K255 PolarHBondContact O-N 3.03Å | ||
| 252 | V | 59.1 | Low | 55.9 | Low | 123 Ų | 123 | 117.8 Ų | 117.8 | 75% | 0.745 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -54.1 | -35.5 | -173.8 | -179.7 | 0 | 0 | 0 | 0 | 113 | M254 K255 | V252-M254 VanDerWaalsContact C-N 3.28Å; V252-M254 PolarHBondContact O-N 3.16Å; V252-K255 PolarHBondContact O-N 3.28Å |
| 253 | W | 63.2 | Low | 56.3 | Low | 183 Ų | 183 | 121.5 Ų | 121.5 | 69% | 0.693 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -72.2 | -15.3 | 176.6 | 65 | -93.9 | 0 | 0 | 0 | 114.8 | P251 | P251-W253 HydrophobicContact CB-CG 4.37Å; P251-W253 VanDerWaalsContact CB-NE1 3.3Å; P251-W253 PolarHBondContact O-N 2.78Å |
| 254 | M | 62.7 | Low | 56.5 | Low | 87 Ų | 87 | 122.9 Ų | 122.9 | 43% | 0.429 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -97.3 | -10.8 | 172.7 | -68.6 | -170.4 | 72.6 | 0 | 0 | 113.1 | I250 P251 V252 P256 | I250-M254 HydrophobicContact CG2-CB 3.67Å; P251-M254 HydrophobicContact CG-SD 4.28Å; P251-M254 WeakPolarHBondContact O-CA 3.22Å; P251-M254 WeakPolarHBondContact O-CB 3.14Å; P251-M254 PolarHBondContact O-N 2.85Å; V252-M254 VanDerWaalsContact C-N 3.28Å; V252-M254 PolarHBondContact O-N 3.16Å; M254-P256 WeakPolarHBondContact O-CD 3.44Å |
| 255 | K | 61.3 | Low | 57 | Low | 91 Ų | 91 | 126.7 Ų | 126.7 | 40% | 0.396 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -64.3 | 118.4 | 173.1 | -66.7 | -173.2 | 178.6 | -176 | 0 | 106.4 | D247 I250 P251 V252 I257 | D247-K255 IonicContact OD1-NZ 2.64Å; D247-K255 PolarHBondContact OD1-NZ 3.47Å; I250-K255 HydrophobicContact CB-CG 4.28Å; I250-K255 HydrophobicContact CG2-CB 4.43Å; I250-K255 HydrophobicContact CG2-CG 3.69Å; I250-K255 WeakPolarHBondContact O-CE 3.35Å; P251-K255 PolarHBondContact O-N 3.03Å; V252-K255 PolarHBondContact O-N 3.28Å; K255-I257 PolarHBondContact O-N 3.47Å |
| 256 | P | 56.4 | Low | 56.8 | Low | 92 Ų | 92 | 130 Ų | 130 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | trans | -59.1 | 139.9 | -178 | 25.4 | -34 | 0 | 0 | 0 | 108.9 | M254 T258 | M254-P256 WeakPolarHBondContact O-CD 3.44Å; P256-T258 HydrophobicContact CB-CG2 4.25Å; P256-T258 HydrophobicContact CG-CG2 4.49Å; P256-T258 PolarHBondContact O-N 3.16Å; P256-T258 PolarHBondContact O-OG1 2.97Å | ||
| 257 | I | 58 | Low | 56.7 | Low | 144 Ų | 144 | 125.1 Ų | 125.1 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -75.5 | 72.6 | -175.3 | -53 | 177.5 | 0 | 0 | 0 | 108.8 | K255 L260 | K255-I257 PolarHBondContact O-N 3.47Å; I257-L260 HydrophobicContact CG2-CB 3.99Å; I257-L260 HydrophobicContact CG2-CD1 3.35Å; I257-L260 HydrophobicContact CG2-CG 3.55Å |
| 258 | T | 55.8 | Low | 57 | Low | 102 Ų | 102 | 129.6 Ų | 129.6 | 63% | 0.626 | 67% | 0.668 | S | S | * | * | trans | -108.2 | -15.1 | -178.4 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | P256 | P256-T258 HydrophobicContact CB-CG2 4.25Å; P256-T258 HydrophobicContact CG-CG2 4.49Å; P256-T258 PolarHBondContact O-N 3.16Å; P256-T258 PolarHBondContact O-OG1 2.97Å | ||
| 259 | D | 51.4 | Low | 56.8 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -108.7 | 12.5 | -179.9 | -75.5 | -45 | 0 | 0 | 0 | 113.9 | E261 K262 | D259-E261 PolarHBondContact O-N 2.99Å; D259-K262 PolarHBondContact O-N 3.29Å; D259-K262 VanDerWaalsContact O-N 3.08Å |
| 260 | L | 51.7 | Low | 56.9 | Low | 111 Ų | 111 | 132.2 Ų | 132.2 | 58% | 0.581 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -61.1 | -31.1 | 173.1 | -99.6 | -176.1 | 0 | 0 | 0 | 112.2 | I257 K262 R263 | I257-L260 HydrophobicContact CG2-CB 3.99Å; I257-L260 HydrophobicContact CG2-CD1 3.35Å; I257-L260 HydrophobicContact CG2-CG 3.55Å; L260-K262 PolarHBondContact O-N 2.78Å; L260-R263 PolarHBondContact O-N 2.94Å |
| 261 | E | 58.7 | Low | 56.8 | Low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -64.6 | -3.6 | 174.8 | -64.1 | -170.9 | 163.9 | 0 | 0 | 114.3 | D259 | D259-E261 PolarHBondContact O-N 2.99Š|
| 262 | K | 54.3 | Low | 57.1 | Low | 159 Ų | 159 | 142.8 Ų | 142.8 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -123 | 3.4 | -178.5 | -66.1 | -171.8 | -179.5 | 173.9 | 0 | 115 | D259 L260 | D259-K262 PolarHBondContact O-N 3.29Å; D259-K262 VanDerWaalsContact O-N 3.08Å; L260-K262 PolarHBondContact O-N 2.78Å |
| 263 | R | 54.3 | Low | 57.5 | Low | 201 Ų | 201 | 144.7 Ų | 144.7 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -91.8 | -10.5 | -177.6 | -146.4 | 177 | -174.9 | 113.5 | 5.8 | 114.6 | L260 T265 | L260-R263 PolarHBondContact O-N 2.94Å; R263-T265 PolarHBondContact O-N 3.01Å; R263-T265 VanDerWaalsContact O-N 3.09Å |
| 264 | D | 51.4 | Low | 57.5 | Low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 5.6 | -177.2 | -68.7 | -13.8 | 0 | 0 | 0 | 115.1 | ||
| 265 | T | 55 | Low | 57.5 | Low | 124 Ų | 124 | 149.6 Ų | 149.6 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 5.2 | -172.4 | 53.6 | 0 | 0 | 0 | 0 | 116.9 | R263 | R263-T265 PolarHBondContact O-N 3.01Å; R263-T265 VanDerWaalsContact O-N 3.09Å |
| 266 | E | 54.5 | Low | 57.5 | Low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -125.3 | 45.8 | 173.5 | -71 | -173.1 | 170.6 | 0 | 0 | 112.6 | E268 | E266-E268 PolarHBondContact O-N 3.22Š| ||
| 267 | S | 47.7 | Very low | 57.5 | Low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -82.2 | 89 | 154.5 | -62.2 | 0 | 0 | 0 | 0 | 108.8 | P269 | S267-P269 WeakPolarHBondContact O-CD 3.27Š| ||
| 268 | E | 59.4 | Low | 57.6 | Low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -66.9 | 123.9 | 159.3 | -79.1 | -165.5 | 146.5 | 0 | 0 | 108.2 | E266 M270 | E266-E268 PolarHBondContact O-N 3.22Å; E268-M270 PolarHBondContact O-N 3.09Å; E268-M270 VanDerWaalsContact O-N 3.1Å | ||
| 269 | P | 54.8 | Low | 57.8 | Low | 121 Ų | 121 | 155.8 Ų | 155.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -71.8 | 107.5 | 175.4 | 29.2 | -32 | 0 | 0 | 0 | 108.6 | S267 E271 | S267-P269 WeakPolarHBondContact O-CD 3.27Å; P269-E271 PolarHBondContact O-N 3.15Å | ||
| 270 | M | 64.7 | Low | 58.6 | Low | 182 Ų | 182 | 156.3 Ų | 156.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -59.4 | 126.4 | 166.9 | -167.3 | 179.9 | -55.1 | 0 | 0 | 108.1 | E268 E272 | E268-M270 PolarHBondContact O-N 3.09Å; E268-M270 VanDerWaalsContact O-N 3.1Å; M270-E272 PolarHBondContact O-N 2.91Å | ||
| 271 | E | 59 | Low | 59.3 | Low | 183 Ų | 183 | 159.1 Ų | 159.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -58.7 | 126.8 | -177.8 | -69.5 | -176 | 121.4 | 0 | 0 | 110.2 | P269 D273 | P269-E271 PolarHBondContact O-N 3.15Å; E271-D273 PolarHBondContact O-N 2.88Å; E271-D273 VanDerWaalsContact O-N 3.08Å | ||
| 272 | E | 65.9 | Low | 59.7 | Low | 171 Ų | 171 | 155.8 Ų | 155.8 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -65.1 | 108.2 | 169.9 | -68.8 | 176.9 | 161.1 | 0 | 0 | 108.6 | M270 K274 | M270-E272 PolarHBondContact O-N 2.91Å; E272-K274 PolarHBondContact O-N 2.93Å | ||
| 273 | D | 67.9 | Low | 59.5 | Low | 163 Ų | 163 | 156.2 Ų | 156.2 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -57.2 | 104.2 | 171.7 | -96.4 | -35.8 | 0 | 0 | 0 | 109.3 | E271 E275 | E271-D273 PolarHBondContact O-N 2.88Å; E271-D273 VanDerWaalsContact O-N 3.08Å; D273-E275 PolarHBondContact O-N 2.92Å | ||
| 274 | K | 62.5 | Low | 59.9 | Low | 180 Ų | 180 | 158.4 Ų | 158.4 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | -77.4 | 72.9 | 174.8 | -64.8 | -166.5 | 179.3 | -172.8 | 0 | 110 | E272 S276 | E272-K274 PolarHBondContact O-N 2.93Å; K274-S276 PolarHBondContact O-N 3.22Å | ||
| 275 | E | 63.3 | Low | 60.3 | Low | 193 Ų | 193 | 159.1 Ų | 159.1 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -74.1 | 78.7 | 167.9 | -164.6 | 162.3 | -144 | 0 | 0 | 109.9 | D273 | D273-E275 PolarHBondContact O-N 2.92Š| ||
| 276 | S | 60.8 | Low | 60.6 | Low | 96 Ų | 96 | 160.9 Ų | 160.9 | 67% | 0.671 | 84% | 0.837 | S | S | * | * | trans | -75.3 | 121.4 | 166.6 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | K274 | K274-S276 PolarHBondContact O-N 3.22Š| ||
| 277 | H | 57.4 | Low | 60.9 | Low | 158 Ų | 158 | 159.6 Ų | 159.6 | 73% | 0.731 | 84% | 0.836 | S | S | * | * | trans | -154 | 101.9 | 146.8 | -125 | -64.4 | 0 | 0 | 0 | 114.1 | ||||
| 278 | E | 59.7 | Low | 61.7 | Low | 147 Ų | 147 | 162.5 Ų | 162.5 | 69% | 0.687 | 84% | 0.84 | S | S | * | * | trans | 44.3 | 106.5 | 137.9 | -59.6 | 179.8 | 168.7 | 0 | 0 | 120.4 | S280 | E278-S280 PolarHBondContact O-N 3.18Š| ||
| 279 | D | 59.3 | Low | 61.8 | Low | 158 Ų | 158 | 161 Ų | 161 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | 24.3 | 98 | 115.7 | -61.5 | -30.6 | 0 | 0 | 0 | 117 | |||||
| 280 | S | 68.1 | Low | 62.3 | Low | 122 Ų | 122 | 163.7 Ų | 163.7 | 85% | 0.853 | 84% | 0.841 | S | S | * | * | trans | -100.3 | 74.4 | 152.2 | -70.8 | 0 | 0 | 0 | 0 | 109.8 | E278 S282 | E278-S280 PolarHBondContact O-N 3.18Å; S280-S282 PolarHBondContact O-N 3.34Å | ||
| 281 | E | 67.2 | Low | 62.1 | Low | 169 Ų | 169 | 162.4 Ų | 162.4 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -68.6 | 106.5 | 167.3 | -176.8 | 176.9 | -163 | 0 | 0 | 109.4 | ||||
| 282 | S | 66.2 | Low | 62.3 | Low | 117 Ų | 117 | 160.8 Ų | 160.8 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -117.4 | 93.4 | 169.1 | 66.7 | 0 | 0 | 0 | 0 | 110.4 | S280 | S280-S282 PolarHBondContact O-N 3.34Š| ||
| 283 | Q | 51.3 | Low | 62 | Low | 168 Ų | 168 | 159.9 Ų | 159.9 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -94.4 | 114.7 | 158.7 | -69.3 | -157.5 | -42.1 | 0 | 0 | 109.7 | ||||
| 284 | D | 61 | Low | 61.5 | Low | 248 Ų | 248 | 159.6 Ų | 159.6 | 100% | 1.326 | 84% | 0.836 | S | S | * | * | trans | -169.8 | 0 | 142.1 | -101.5 | -20.3 | 0 | 0 | 0 | 109.9 |
Retrieved 284 of 284 residues in 142.9 ms
(Link to these results)