| 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 | 42.2 | Very low | 57.7 | Low | 242 Ų | 242 | 143 Ų | 143 | 100% | 1.192 | 80% | 0.799 | S | S | * | * | 0 | 104 | 0 | -159.8 | 162.4 | -165.5 | 0 | 0 | 105.5 | |||||
| 2 | E | 40.9 | Very low | 58.4 | Low | 171 Ų | 171 | 143.5 Ų | 143.5 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -52.8 | 150.6 | -177.9 | -91.9 | 98.9 | 162.8 | 0 | 0 | 113.4 | L4 | E2-L4 PolarHBondContact O-N 3.41Š| ||
| 3 | P | 52.1 | Low | 58.7 | Low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -71.2 | 125.4 | 165.2 | -2 | 19.4 | 0 | 0 | 0 | 109.8 | A5 | P3-A5 PolarHBondContact O-N 2.82Å; P3-A5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | L | 56.8 | Low | 58.9 | Low | 163 Ų | 163 | 146.3 Ų | 146.3 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -61.1 | 104.4 | 167.9 | -80 | 154.6 | 0 | 0 | 0 | 109.3 | E2 V6 | E2-L4 PolarHBondContact O-N 3.41Å; L4-V6 PolarHBondContact O-N 3.11Å; L4-V6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | A | 60 | Low | 58.4 | Low | 90 Ų | 90 | 148.4 Ų | 148.4 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -66.8 | 103.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | P3 D7 | P3-A5 PolarHBondContact O-N 2.82Å; P3-A5 VanDerWaalsContact O-N 3.08Å; A5-D7 PolarHBondContact O-N 2.61Å | ||
| 6 | V | 60.4 | Low | 58.4 | Low | 114 Ų | 114 | 150.1 Ų | 150.1 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -83.7 | 97.2 | 165.8 | -177.8 | 0 | 0 | 0 | 0 | 105.1 | L4 D8 | L4-V6 PolarHBondContact O-N 3.11Å; L4-V6 VanDerWaalsContact O-N 3.13Å; V6-D8 PolarHBondContact O-N 3.19Å; V6-D8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | D | 54.4 | Low | 58.1 | Low | 132 Ų | 132 | 149.2 Ų | 149.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -65.5 | 102.2 | 167.3 | -90.5 | -45.6 | 0 | 0 | 0 | 107.9 | A5 D9 | A5-D7 PolarHBondContact O-N 2.61Å; D7-D9 PolarHBondContact O-N 3.38Å | ||
| 8 | D | 61.8 | Low | 57.7 | Low | 142 Ų | 142 | 145.2 Ų | 145.2 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 74.7 | 166.3 | -83.6 | -31.2 | 0 | 0 | 0 | 108.8 | V6 I10 | V6-D8 PolarHBondContact O-N 3.19Å; V6-D8 VanDerWaalsContact O-N 3.11Å; D8-I10 PolarHBondContact O-N 3.31Å | ||
| 9 | D | 71.7 | Confident | 57 | Low | 130 Ų | 130 | 149.3 Ų | 149.3 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | -68.2 | 92.8 | 172.6 | -81.1 | -29.7 | 0 | 0 | 0 | 110.1 | D7 C11 | D7-D9 PolarHBondContact O-N 3.38Å; D9-C11 PolarHBondContact O-N 3.31Å | ||
| 10 | I | 65.4 | Low | 56.5 | Low | 151 Ų | 151 | 148.5 Ų | 148.5 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 95.5 | 169.2 | -57.6 | 174.2 | 0 | 0 | 0 | 108 | D8 I12 | D8-I10 PolarHBondContact O-N 3.31Å; I10-I12 PolarHBondContact O-N 2.75Å | ||
| 11 | C | 68.9 | Low | 56.2 | Low | 115 Ų | 115 | 146.9 Ų | 146.9 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -66.9 | 98.4 | 171.8 | -68.2 | 0 | 0 | 0 | 0 | 109.5 | D9 L13 | D9-C11 PolarHBondContact O-N 3.31Å; C11-L13 PolarHBondContact O-N 3.32Å | ||
| 12 | I | 65.9 | Low | 56.6 | Low | 149 Ų | 149 | 140.5 Ų | 140.5 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -67 | 103 | 171.1 | -58.4 | 176.4 | 0 | 0 | 0 | 107.8 | I10 K14 | I10-I12 PolarHBondContact O-N 2.75Å; I12-K14 PolarHBondContact O-N 2.89Å; I12-K14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | L | 62.9 | Low | 56.8 | Low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -61 | 111.8 | 175.8 | -157.1 | 80.2 | 0 | 0 | 0 | 108.9 | C11 H15 | C11-L13 PolarHBondContact O-N 3.32Å; L13-H15 PolarHBondContact O-N 3.47Å | ||
| 14 | K | 61.1 | Low | 56.9 | Low | 168 Ų | 168 | 139.7 Ų | 139.7 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -66.7 | 129.6 | 177.2 | -68.4 | -160.8 | 174.6 | -174 | 0 | 110 | I12 E16 | I12-K14 PolarHBondContact O-N 2.89Å; I12-K14 VanDerWaalsContact O-N 3.11Å; K14-E16 PolarHBondContact O-N 3.31Å | ||
| 15 | H | 51.8 | Low | 56.2 | Low | 178 Ų | 178 | 137.4 Ų | 137.4 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 11.6 | -177.1 | -111.8 | -91.9 | 0 | 0 | 0 | 115.3 | L13 | L13-H15 PolarHBondContact O-N 3.47Š|
| 16 | E | 57.7 | Low | 55.7 | Low | 176 Ų | 176 | 137.9 Ų | 137.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -9 | -171.2 | -127.1 | 179.6 | 177.5 | 0 | 0 | 114.1 | K14 | K14-E16 PolarHBondContact O-N 3.31Š|
| 17 | T | 54.2 | Low | 55.4 | Low | 134 Ų | 134 | 139.8 Ų | 139.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -109.5 | 8.9 | -179.3 | 6.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 18 | A | 50.6 | Low | 55.3 | Low | 78 Ų | 78 | 138 Ų | 138 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | -95.4 | 17.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 19 | Y | 44.3 | Very low | 54.8 | Low | 223 Ų | 223 | 137.2 Ų | 137.2 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -99.4 | 84.6 | 166.4 | -103.2 | -88.4 | 0 | 0 | 0 | 109.5 | P21 | Y19-P21 WeakPolarHBondContact O-CD 3.41Š| ||
| 20 | T | 47.6 | Very low | 53.8 | Low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -76.5 | 116 | 153.9 | 28.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 21 | P | 49.8 | Very low | 53.4 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 134.5 | 169.7 | 26.6 | -15.3 | 0 | 0 | 0 | 110 | Y19 | Y19-P21 WeakPolarHBondContact O-CD 3.41Š| ||
| 22 | A | 49.3 | Very low | 52.7 | Low | 109 Ų | 109 | 129 Ų | 129 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | 71.7 | 107.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 23 | G | 45.8 | Very low | 52.3 | Low | 77 Ų | 77 | 127.2 Ų | 127.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -165.1 | 74.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S25 | G23-S25 PolarHBondContact O-N 2.89Š| ||
| 24 | E | 53.8 | Low | 52.1 | Low | 199 Ų | 199 | 126.5 Ų | 126.5 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | trans | -47.2 | 131.5 | 170.6 | -63.8 | 171.2 | 149.9 | 0 | 0 | 110.6 | ||||
| 25 | S | 41.9 | Very low | 52.3 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 165.8 | 137.2 | 144.6 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | G23 | G23-S25 PolarHBondContact O-N 2.89Š| ||
| 26 | P | 50.8 | Low | 53.4 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | cis | -116.3 | 139.9 | -45.5 | 31.7 | -17.3 | 0 | 0 | 0 | 109.5 | S28 | P26-S28 PolarHBondContact O-N 3.5Š| ||
| 27 | V | 54.2 | Low | 54.4 | Low | 153 Ų | 153 | 112.7 Ų | 112.7 | 93% | 0.927 | 72% | 0.717 | S | S | * | * | trans | -65.3 | 87.7 | 150.8 | 173.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 28 | S | 51.8 | Low | 55.8 | Low | 94 Ų | 94 | 110.2 Ų | 110.2 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -94.9 | 88.4 | 165.8 | 171.4 | 0 | 0 | 0 | 0 | 107.4 | P26 C30 | P26-S28 PolarHBondContact O-N 3.5Å; S28-C30 PolarHBondContact O-N 2.73Å; S28-C30 VanDerWaalsContact O-N 3.17Å | ||
| 29 | V | 52 | Low | 57.8 | Low | 126 Ų | 126 | 112.3 Ų | 112.3 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 28.3 | 81.3 | 140.2 | -171.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 30 | C | 51 | Low | 60.1 | Low | 74 Ų | 74 | 108.6 Ų | 108.6 | 50% | 0.5 | 69% | 0.69 | S | S | . | * | trans | -155.7 | 49.4 | 144 | -95.7 | 0 | 0 | 0 | 0 | 109.5 | S28 G32 D33 | S28-C30 PolarHBondContact O-N 2.73Å; S28-C30 VanDerWaalsContact O-N 3.17Å; C30-G32 PolarHBondContact O-N 3.28Å; C30-D33 PolarHBondContact O-N 3.18Å | ||
| 31 | A | 55.1 | Low | 62.3 | Low | 103 Ų | 103 | 105 Ų | 105 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 14.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 32 | G | 56.2 | Low | 64.5 | Low | 48 Ų | 48 | 105.1 Ų | 105.1 | 50% | 0.495 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.9 | -35.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C30 V36 | C30-G32 PolarHBondContact O-N 3.28Å; G32-V36 WeakPolarHBondContact O-CG2 3.01Å |
| 33 | D | 56 | Low | 66.7 | Low | 111 Ų | 111 | 103 Ų | 103 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -90.2 | -25.8 | -172.2 | -85.1 | -9.3 | 0 | 0 | 0 | 113.7 | C30 V36 A37 | C30-D33 PolarHBondContact O-N 3.18Å; D33-V36 PolarHBondContact O-N 3.14Å; D33-A37 WeakPolarHBondContact O-CB 3.39Å; D33-A37 PolarHBondContact O-N 2.73Å |
| 34 | E | 60 | Low | 69.2 | Low | 142 Ų | 142 | 102.8 Ų | 102.8 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.7 | -36.9 | 175.7 | -65.5 | 174.8 | 179.8 | 0 | 0 | 111.8 | V36 A37 S38 | E34-V36 VanDerWaalsContact C-N 3.29Å; E34-V36 PolarHBondContact O-N 2.71Å; E34-A37 PolarHBondContact O-N 3.4Å; E34-S38 WeakPolarHBondContact O-CB 3.4Å; E34-S38 PolarHBondContact O-N 2.88Å |
| 35 | S | 65.2 | Low | 71.2 | Confident | 84 Ų | 84 | 95.5 Ų | 95.5 | 59% | 0.587 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.8 | -35.9 | 171.9 | -176 | 0 | 0 | 0 | 0 | 111.2 | H39 | S35-H39 WeakPolarHBondContact O-CB 3.36Å; S35-H39 PolarHBondContact O-N 3.38Å |
| 36 | V | 75.1 | Confident | 73.9 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 53% | 0.527 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.2 | -40.6 | 178.5 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | G32 D33 E34 H39 F40 | G32-V36 WeakPolarHBondContact O-CG2 3.01Å; D33-V36 PolarHBondContact O-N 3.14Å; E34-V36 VanDerWaalsContact C-N 3.29Å; E34-V36 PolarHBondContact O-N 2.71Å; V36-H39 PolarHBondContact O-N 2.95Å; V36-F40 WeakPolarHBondContact O-CB 3.37Å; V36-F40 PolarHBondContact O-N 3.41Å |
| 37 | A | 77.8 | Confident | 76.1 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.3 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D33 E34 F40 A41 | D33-A37 WeakPolarHBondContact O-CB 3.39Å; D33-A37 PolarHBondContact O-N 2.73Å; E34-A37 PolarHBondContact O-N 3.4Å; A37-F40 PolarHBondContact O-N 3.38Å; A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 2.96Å |
| 38 | S | 83.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 57% | 0.573 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.5 | -39 | 173.9 | -175 | 0 | 0 | 0 | 0 | 111.8 | E34 L42 | E34-S38 WeakPolarHBondContact O-CB 3.4Å; E34-S38 PolarHBondContact O-N 2.88Å; S38-L42 WeakPolarHBondContact O-CB 3.24Å; S38-L42 PolarHBondContact O-N 2.67Å |
| 39 | H | 91.8 | Very high | 80.4 | Confident | 122 Ų | 122 | 92.6 Ų | 92.6 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 174.6 | -179.2 | 72 | 0 | 0 | 0 | 111.3 | S35 V36 A41 L42 V43 | S35-H39 WeakPolarHBondContact O-CB 3.36Å; S35-H39 PolarHBondContact O-N 3.38Å; V36-H39 PolarHBondContact O-N 2.95Å; H39-A41 PolarHBondContact O-N 3.47Å; H39-L42 PolarHBondContact O-N 2.77Å; H39-V43 WeakPolarHBondContact O-CB 3.44Å; H39-V43 VanDerWaalsContact O-CG2 3.27Å; H39-V43 WeakPolarHBondContact O-CG2 3.31Å; H39-V43 PolarHBondContact O-N 2.94Å |
| 40 | F | 93.9 | Very high | 82.6 | Confident | 145 Ų | 145 | 90.3 Ų | 90.3 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 176.8 | 179.5 | -100 | 0 | 0 | 0 | 112.2 | V36 A37 V43 T44 | V36-F40 WeakPolarHBondContact O-CB 3.37Å; V36-F40 PolarHBondContact O-N 3.41Å; A37-F40 PolarHBondContact O-N 3.38Å; F40-V43 PolarHBondContact O-N 3.29Å; F40-T44 WeakPolarHBondContact O-CB 3.38Å; F40-T44 PolarHBondContact O-N 3.33Å; F40-T44 PolarHBondContact O-OG1 3.35Å |
| 41 | A | 93.8 | Very high | 84.9 | Confident | 57 Ų | 57 | 92.3 Ų | 92.3 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A37 H39 T44 A45 | A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 2.96Å; H39-A41 PolarHBondContact O-N 3.47Å; A41-T44 PolarHBondContact O-N 2.7Å; A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.25Å; A41-A45 PolarHBondContact O-N 3.09Å |
| 42 | L | 95.3 | Very high | 86.9 | Confident | 118 Ų | 118 | 94 Ų | 94 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 176.9 | -176.6 | 63.5 | 0 | 0 | 0 | 112.1 | S38 H39 T44 A45 Y46 | S38-L42 WeakPolarHBondContact O-CB 3.24Å; S38-L42 PolarHBondContact O-N 2.67Å; H39-L42 PolarHBondContact O-N 2.77Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 2.64Å; L42-A45 PolarHBondContact O-N 3.39Å; L42-Y46 VanDerWaalsContact O-CB 3.24Å; L42-Y46 WeakPolarHBondContact O-CB 3.47Å; L42-Y46 PolarHBondContact O-N 3.35Å |
| 43 | V | 96.4 | Very high | 88.9 | Confident | 65 Ų | 65 | 96.5 Ų | 96.5 | 39% | 0.394 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | H39 F40 Y46 E47 | H39-V43 WeakPolarHBondContact O-CB 3.44Å; H39-V43 VanDerWaalsContact O-CG2 3.27Å; H39-V43 WeakPolarHBondContact O-CG2 3.31Å; H39-V43 PolarHBondContact O-N 2.94Å; F40-V43 PolarHBondContact O-N 3.29Å; V43-Y46 PolarHBondContact O-N 3.48Å; V43-E47 PolarHBondContact O-N 3.31Å |
| 44 | T | 96.6 | Very high | 90.9 | Very high | 71 Ų | 71 | 96.1 Ų | 96.1 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | F40 A41 L42 Y46 E47 D48 | F40-T44 WeakPolarHBondContact O-CB 3.38Å; F40-T44 PolarHBondContact O-N 3.33Å; F40-T44 PolarHBondContact O-OG1 3.35Å; A41-T44 PolarHBondContact O-N 2.7Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 2.64Å; T44-Y46 VanDerWaalsContact C-N 3.33Å; T44-Y46 PolarHBondContact O-N 3.43Å; T44-E47 PolarHBondContact O-N 3.21Å; T44-D48 WeakPolarHBondContact O-CB 3.35Å; T44-D48 PolarHBondContact O-N 3.07Å |
| 45 | A | 97 | Very high | 92.7 | Very high | 46 Ų | 46 | 92.2 Ų | 92.2 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A41 L42 D48 I49 | A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.25Å; A41-A45 PolarHBondContact O-N 3.09Å; L42-A45 PolarHBondContact O-N 3.39Å; A45-D48 PolarHBondContact O-N 3.34Å; A45-I49 WeakPolarHBondContact O-CB 3.42Å; A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 3.05Å |
| 46 | Y | 97.9 | Very high | 94.3 | Very high | 151 Ų | 151 | 92 Ų | 92 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | 177 | -176.3 | -99.7 | 0 | 0 | 0 | 111.6 | L42 V43 T44 D48 I49 K50 | L42-Y46 VanDerWaalsContact O-CB 3.24Å; L42-Y46 WeakPolarHBondContact O-CB 3.47Å; L42-Y46 PolarHBondContact O-N 3.35Å; V43-Y46 PolarHBondContact O-N 3.48Å; T44-Y46 VanDerWaalsContact C-N 3.33Å; T44-Y46 PolarHBondContact O-N 3.43Å; Y46-D48 PolarHBondContact O-N 3.41Å; Y46-I49 PolarHBondContact O-N 3.49Å; Y46-K50 HydrophobicContact CE1-CD 4.38Å; Y46-K50 WeakPolarHBondContact O-CB 3.5Å; Y46-K50 PolarHBondContact O-N 3.47Å |
| 47 | E | 98.1 | Very high | 95.4 | Very high | 86 Ų | 86 | 93 Ų | 93 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67 | -34.4 | 176.6 | -74.4 | -60.3 | 148.6 | 0 | 0 | 112.6 | V43 T44 K50 K51 | V43-E47 PolarHBondContact O-N 3.31Å; T44-E47 PolarHBondContact O-N 3.21Å; E47-K50 IonicContact OE1-NZ 2.93Å; E47-K50 PolarHBondContact OE1-NZ 3.39Å; E47-K50 WeakPolarHBondContact OE2-CD 3.43Å; E47-K50 IonicContact OE2-NZ 3.34Å; E47-K50 PolarHBondContact OE2-NZ 2.97Å; E47-K51 WeakPolarHBondContact O-CB 3.46Å; E47-K51 PolarHBondContact O-N 3.01Å |
| 48 | D | 98.3 | Very high | 96.3 | Very high | 73 Ų | 73 | 96.4 Ų | 96.4 | 39% | 0.39 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 172.2 | 178.6 | 69.7 | 0 | 0 | 0 | 112.3 | T44 A45 Y46 K50 K51 R52 | T44-D48 WeakPolarHBondContact O-CB 3.35Å; T44-D48 PolarHBondContact O-N 3.07Å; A45-D48 PolarHBondContact O-N 3.34Å; Y46-D48 PolarHBondContact O-N 3.41Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.44Å; D48-K51 WeakPolarHBondContact O-CB 3.38Å; D48-K51 PolarHBondContact O-N 3.22Å; D48-K51 VanDerWaalsContact O-N 3.11Å; D48-R52 PolarHBondContact O-N 2.92Å; D48-R52 IonicContact OD2-CZ 3.4Å; D48-R52 IonicContact OD2-NE 2.8Å; D48-R52 PolarHBondContact OD2-NE 2.94Å; D48-R52 IonicContact OD2-NH2 3.12Å; D48-R52 PolarHBondContact OD2-NH2 2.96Å; D48-R52 VanDerWaalsContact OD2-NH2 3.12Å |
| 49 | I | 98.1 | Very high | 97 | Very high | 92 Ų | 92 | 98.1 Ų | 98.1 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 176.7 | -71.5 | 164.9 | 0 | 0 | 0 | 110.1 | A45 Y46 K51 R52 L53 | A45-I49 WeakPolarHBondContact O-CB 3.42Å; A45-I49 WeakPolarHBondContact O-CD1 3.47Å; A45-I49 VanDerWaalsContact O-CG1 3.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.49Å; A45-I49 PolarHBondContact O-N 3.05Å; Y46-I49 PolarHBondContact O-N 3.49Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 3.31Å; I49-R52 PolarHBondContact O-N 2.97Å; I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 PolarHBondContact O-N 3.27Å |
| 50 | K | 97.9 | Very high | 97.2 | Very high | 79 Ų | 79 | 95.9 Ų | 95.9 | 34% | 0.343 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 177.9 | -170.2 | -165 | -178.4 | -177.4 | 0 | 111.6 | Y46 E47 D48 R54 | Y46-K50 HydrophobicContact CE1-CD 4.38Å; Y46-K50 WeakPolarHBondContact O-CB 3.5Å; Y46-K50 PolarHBondContact O-N 3.47Å; E47-K50 IonicContact OE1-NZ 2.93Å; E47-K50 PolarHBondContact OE1-NZ 3.39Å; E47-K50 WeakPolarHBondContact OE2-CD 3.43Å; E47-K50 IonicContact OE2-NZ 3.34Å; E47-K50 PolarHBondContact OE2-NZ 2.97Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.44Å; K50-R54 WeakPolarHBondContact O-CG 3.4Å; K50-R54 PolarHBondContact O-N 3.41Å |
| 51 | K | 98.2 | Very high | 97.4 | Very high | 116 Ų | 116 | 92.5 Ų | 92.5 | 50% | 0.504 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.9 | -51.1 | 173 | -176.8 | -175.6 | 174.1 | -170.6 | 0 | 111.1 | E47 D48 I49 L53 R54 D55 | E47-K51 WeakPolarHBondContact O-CB 3.46Å; E47-K51 PolarHBondContact O-N 3.01Å; D48-K51 WeakPolarHBondContact O-CB 3.38Å; D48-K51 PolarHBondContact O-N 3.22Å; D48-K51 VanDerWaalsContact O-N 3.11Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 3.31Å; K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 PolarHBondContact O-N 3.36Å; K51-R54 PolarHBondContact O-N 3.26Å; K51-D55 VanDerWaalsContact O-CG 3.26Å; K51-D55 PolarHBondContact O-N 3.43Å |
| 52 | R | 98.2 | Very high | 97.6 | Very high | 137 Ų | 137 | 95.2 Ų | 95.2 | 52% | 0.517 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 177.8 | -75.8 | -168.6 | -75 | 136.7 | -4.5 | 112.6 | D48 I49 D55 T56 | D48-R52 PolarHBondContact O-N 2.92Å; D48-R52 IonicContact OD2-CZ 3.4Å; D48-R52 IonicContact OD2-NE 2.8Å; D48-R52 PolarHBondContact OD2-NE 2.94Å; D48-R52 IonicContact OD2-NH2 3.12Å; D48-R52 PolarHBondContact OD2-NH2 2.96Å; D48-R52 VanDerWaalsContact OD2-NH2 3.12Å; I49-R52 PolarHBondContact O-N 2.97Å; R52-D55 PolarHBondContact O-N 2.9Å; R52-T56 WeakPolarHBondContact O-CB 3.31Å; R52-T56 PolarHBondContact O-N 3.44Å; R52-T56 PolarHBondContact O-OG1 3.48Å |
| 53 | L | 98.3 | Very high | 97.7 | Very high | 101 Ų | 101 | 93.7 Ų | 93.7 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.6 | -50.6 | 176.1 | -174 | 66.3 | 0 | 0 | 0 | 111 | I49 K51 D55 T56 E57 | I49-L53 WeakPolarHBondContact O-CB 3.46Å; I49-L53 PolarHBondContact O-N 3.27Å; K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 PolarHBondContact O-N 3.36Å; L53-D55 VanDerWaalsContact C-N 3.28Å; L53-D55 PolarHBondContact O-N 3.25Å; L53-T56 PolarHBondContact O-N 3.04Å; L53-E57 WeakPolarHBondContact O-CG 3.41Å; L53-E57 PolarHBondContact O-N 3.26Å |
| 54 | R | 97.6 | Very high | 97.7 | Very high | 103 Ų | 103 | 97 Ų | 97 | 39% | 0.389 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 176.7 | -69.2 | -170.4 | -57.1 | -102 | 0.6 | 112.6 | K50 K51 R58 | K50-R54 WeakPolarHBondContact O-CG 3.4Å; K50-R54 PolarHBondContact O-N 3.41Å; K51-R54 PolarHBondContact O-N 3.26Å; R54-R58 WeakPolarHBondContact O-CG 3.47Å; R54-R58 PolarHBondContact O-N 2.94Å; R54-R58 VanDerWaalsContact O-N 3.11Å |
| 55 | D | 97.9 | Very high | 97.7 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 32% | 0.321 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 177.5 | -66.4 | -14.6 | 0 | 0 | 0 | 110.8 | K51 R52 L53 R58 E59 | K51-D55 VanDerWaalsContact O-CG 3.26Å; K51-D55 PolarHBondContact O-N 3.43Å; R52-D55 PolarHBondContact O-N 2.9Å; L53-D55 VanDerWaalsContact C-N 3.28Å; L53-D55 PolarHBondContact O-N 3.25Å; D55-R58 PolarHBondContact O-N 2.91Å; D55-R58 IonicContact OD1-CZ 3.15Å; D55-R58 IonicContact OD1-NH1 2.66Å; D55-R58 PolarHBondContact OD1-NH1 2.9Å; D55-R58 IonicContact OD1-NH2 2.76Å; D55-R58 PolarHBondContact OD1-NH2 3Å; D55-E59 PolarHBondContact O-N 3.25Å |
| 56 | T | 97.6 | Very high | 97.7 | Very high | 80 Ų | 80 | 103.2 Ų | 103.2 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.4 | -54.7 | 0 | 0 | 0 | 0 | 112 | R52 L53 R58 E59 N60 | R52-T56 WeakPolarHBondContact O-CB 3.31Å; R52-T56 PolarHBondContact O-N 3.44Å; R52-T56 PolarHBondContact O-OG1 3.48Å; L53-T56 PolarHBondContact O-N 3.04Å; T56-R58 VanDerWaalsContact C-N 3.34Å; T56-R58 PolarHBondContact O-N 2.98Å; T56-E59 PolarHBondContact O-N 3.1Å; T56-N60 WeakPolarHBondContact O-CB 3.33Å; T56-N60 PolarHBondContact O-N 3.39Å |
| 57 | E | 98 | Very high | 97.5 | Very high | 107 Ų | 107 | 99.5 Ų | 99.5 | 50% | 0.5 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 175.4 | -74.6 | 170.8 | 165.2 | 0 | 0 | 111.3 | L53 N60 T61 | L53-E57 WeakPolarHBondContact O-CG 3.41Å; L53-E57 PolarHBondContact O-N 3.26Å; E57-N60 PolarHBondContact O-N 3.44Å; E57-T61 WeakPolarHBondContact O-CG2 3.4Å; E57-T61 PolarHBondContact O-N 2.99Å |
| 58 | R | 97.8 | Very high | 97.3 | Very high | 134 Ų | 134 | 101.3 Ų | 101.3 | 51% | 0.506 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176 | -76.4 | -173.4 | -109.3 | 97.2 | 4.1 | 111.6 | R54 D55 T56 N60 T61 L62 | R54-R58 WeakPolarHBondContact O-CG 3.47Å; R54-R58 PolarHBondContact O-N 2.94Å; R54-R58 VanDerWaalsContact O-N 3.11Å; D55-R58 PolarHBondContact O-N 2.91Å; D55-R58 IonicContact OD1-CZ 3.15Å; D55-R58 IonicContact OD1-NH1 2.66Å; D55-R58 PolarHBondContact OD1-NH1 2.9Å; D55-R58 IonicContact OD1-NH2 2.76Å; D55-R58 PolarHBondContact OD1-NH2 3Å; T56-R58 VanDerWaalsContact C-N 3.34Å; T56-R58 PolarHBondContact O-N 2.98Å; R58-N60 PolarHBondContact O-N 2.94Å; R58-T61 PolarHBondContact O-N 3.3Å; R58-T61 PolarHBondContact O-OG1 3.47Å; R58-L62 PolarHBondContact O-N 3.25Å; R58-L62 VanDerWaalsContact O-N 3.13Å |
| 59 | E | 97.6 | Very high | 97 | Very high | 117 Ų | 117 | 102.2 Ų | 102.2 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175 | -173 | 179.6 | -178.7 | 0 | 0 | 112 | D55 T56 T61 L62 L63 | D55-E59 PolarHBondContact O-N 3.25Å; T56-E59 PolarHBondContact O-N 3.1Å; E59-T61 VanDerWaalsContact C-N 3.3Å; E59-T61 PolarHBondContact O-N 3.03Å; E59-L62 CarbonylContact O-C 3.56Å; E59-L62 WeakPolarHBondContact O-CA 3.37Å; E59-L62 WeakPolarHBondContact O-CB 3.3Å; E59-L62 PolarHBondContact O-N 3.34Å; E59-L63 HydrophobicContact CG-CD1 4.23Å; E59-L63 HydrophobicContact CG-CG 4.43Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 3.44Å |
| 60 | N | 97.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 101.9 Ų | 101.9 | 40% | 0.401 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 177.8 | -165.8 | -79.6 | 0 | 0 | 0 | 111.9 | T56 E57 R58 L62 L63 K64 | T56-N60 WeakPolarHBondContact O-CB 3.33Å; T56-N60 PolarHBondContact O-N 3.39Å; E57-N60 PolarHBondContact O-N 3.44Å; R58-N60 PolarHBondContact O-N 2.94Å; N60-L62 VanDerWaalsContact C-N 3.32Å; N60-L62 PolarHBondContact O-N 2.94Å; N60-L63 PolarHBondContact O-N 3.02Å; N60-K64 WeakPolarHBondContact O-CB 3.26Å; N60-K64 WeakPolarHBondContact O-CG 3.33Å; N60-K64 PolarHBondContact O-N 3.31Å; N60-K64 WeakPolarHBondContact OD1-CE 3.43Å; N60-K64 PolarHBondContact OD1-NZ 3.42Å |
| 61 | T | 97.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 174 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | E57 R58 E59 K65 | E57-T61 WeakPolarHBondContact O-CG2 3.4Å; E57-T61 PolarHBondContact O-N 2.99Å; R58-T61 PolarHBondContact O-N 3.3Å; R58-T61 PolarHBondContact O-OG1 3.47Å; E59-T61 VanDerWaalsContact C-N 3.3Å; E59-T61 PolarHBondContact O-N 3.03Å; T61-K65 WeakPolarHBondContact O-CG 3.49Å; T61-K65 PolarHBondContact O-N 2.78Å; T61-K65 VanDerWaalsContact O-N 3.09Å |
| 62 | L | 97.6 | Very high | 95.6 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 60% | 0.597 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.5 | -43.1 | 176.2 | -172.9 | 146.8 | 0 | 0 | 0 | 111 | R58 E59 N60 K65 R66 | R58-L62 PolarHBondContact O-N 3.25Å; R58-L62 VanDerWaalsContact O-N 3.13Å; E59-L62 CarbonylContact O-C 3.56Å; E59-L62 WeakPolarHBondContact O-CA 3.37Å; E59-L62 WeakPolarHBondContact O-CB 3.3Å; E59-L62 PolarHBondContact O-N 3.34Å; N60-L62 VanDerWaalsContact C-N 3.32Å; N60-L62 PolarHBondContact O-N 2.94Å; L62-K65 WeakPolarHBondContact O-CB 3.47Å; L62-K65 PolarHBondContact O-N 2.81Å; L62-R66 PolarHBondContact O-N 3.1Å |
| 63 | L | 97.7 | Very high | 94.7 | Very high | 87 Ų | 87 | 102.7 Ų | 102.7 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.7 | -71.1 | 173.4 | 0 | 0 | 0 | 111.5 | E59 N60 K65 R66 V67 | E59-L63 HydrophobicContact CG-CD1 4.23Å; E59-L63 HydrophobicContact CG-CG 4.43Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 3.44Å; N60-L63 PolarHBondContact O-N 3.02Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 2.8Å; L63-R66 CarbonylContact O-C 3.59Å; L63-R66 WeakPolarHBondContact O-CB 3.47Å; L63-R66 PolarHBondContact O-N 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.49Å; L63-V67 PolarHBondContact O-N 2.87Å |
| 64 | K | 97.2 | Very high | 93.4 | Very high | 135 Ų | 135 | 105 Ų | 105 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.8 | -44 | 173.8 | -78.6 | 170.9 | 173.7 | 159.7 | 0 | 112.3 | N60 R66 K68 | N60-K64 WeakPolarHBondContact O-CB 3.26Å; N60-K64 WeakPolarHBondContact O-CG 3.33Å; N60-K64 PolarHBondContact O-N 3.31Å; N60-K64 WeakPolarHBondContact OD1-CE 3.43Å; N60-K64 PolarHBondContact OD1-NZ 3.42Å; K64-R66 VanDerWaalsContact C-N 3.34Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 3.47Å |
| 65 | K | 96.9 | Very high | 91.9 | Very high | 143 Ų | 143 | 108.1 Ų | 108.1 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 174.2 | -72.3 | 174.9 | -178.6 | 178 | 0 | 111.6 | T61 L62 L63 K68 Q69 | T61-K65 WeakPolarHBondContact O-CG 3.49Å; T61-K65 PolarHBondContact O-N 2.78Å; T61-K65 VanDerWaalsContact O-N 3.09Å; L62-K65 WeakPolarHBondContact O-CB 3.47Å; L62-K65 PolarHBondContact O-N 2.81Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 2.8Å; K65-K68 PolarHBondContact O-N 3.14Å; K65-Q69 VanDerWaalsContact O-CG 3.31Å; K65-Q69 WeakPolarHBondContact O-CG 3.47Å; K65-Q69 PolarHBondContact O-N 2.82Å |
| 66 | R | 96.2 | Very high | 90 | Very high | 104 Ų | 104 | 114.6 Ų | 114.6 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 179.3 | -170.4 | 67.8 | -179.1 | 106.3 | 8.7 | 112.1 | L62 L63 K64 Q69 L70 | L62-R66 PolarHBondContact O-N 3.1Å; L63-R66 CarbonylContact O-C 3.59Å; L63-R66 WeakPolarHBondContact O-CB 3.47Å; L63-R66 PolarHBondContact O-N 3.32Å; K64-R66 VanDerWaalsContact C-N 3.34Å; R66-Q69 PolarHBondContact O-N 3.33Å; R66-L70 HydrophobicContact CG-CD1 4.38Å; R66-L70 VanDerWaalsContact O-CG 3.3Å; R66-L70 WeakPolarHBondContact O-CG 3.35Å; R66-L70 PolarHBondContact O-N 3.11Å |
| 67 | V | 94.7 | Very high | 88.2 | Confident | 73 Ų | 73 | 115.8 Ų | 115.8 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.7 | -51.1 | 172.9 | 169.2 | 0 | 0 | 0 | 0 | 109.5 | L63 Q69 L70 E71 | L63-V67 WeakPolarHBondContact O-CG2 3.49Å; L63-V67 PolarHBondContact O-N 2.87Å; V67-Q69 VanDerWaalsContact C-N 3.3Å; V67-Q69 PolarHBondContact O-N 3.03Å; V67-L70 CarbonylContact O-C 3.58Å; V67-L70 WeakPolarHBondContact O-CA 3.43Å; V67-L70 WeakPolarHBondContact O-CB 3.32Å; V67-L70 PolarHBondContact O-N 3.06Å; V67-E71 HydrophobicContact CG1-CG 4.27Å; V67-E71 WeakPolarHBondContact O-CG 3.25Å; V67-E71 PolarHBondContact O-N 2.89Å |
| 68 | K | 93.6 | Very high | 86.2 | Confident | 124 Ų | 124 | 120.1 Ų | 120.1 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -56.5 | -42.8 | 176.8 | -169.4 | -177 | -179.4 | -170.2 | 0 | 112.7 | K64 K65 L70 E71 E72 | K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 3.47Å; K65-K68 PolarHBondContact O-N 3.14Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.4Å; K68-E71 PolarHBondContact O-N 3.36Å; K68-E72 VanDerWaalsContact CE-OE1 3.24Å; K68-E72 WeakPolarHBondContact CE-OE1 3.39Å; K68-E72 IonicContact NZ-OE1 3.95Å; K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 VanDerWaalsContact O-CG 3.29Å; K68-E72 WeakPolarHBondContact O-CG 3.35Å; K68-E72 PolarHBondContact O-N 2.98Å |
| 69 | Q | 91.9 | Very high | 84.4 | Confident | 92 Ų | 92 | 117 Ų | 117 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.9 | -33.3 | 175 | -74.1 | 172.7 | 5.2 | 0 | 0 | 113.2 | K65 R66 V67 K73 | K65-Q69 VanDerWaalsContact O-CG 3.31Å; K65-Q69 WeakPolarHBondContact O-CG 3.47Å; K65-Q69 PolarHBondContact O-N 2.82Å; R66-Q69 PolarHBondContact O-N 3.33Å; V67-Q69 VanDerWaalsContact C-N 3.3Å; V67-Q69 PolarHBondContact O-N 3.03Å; Q69-K73 WeakPolarHBondContact O-CB 3.39Å; Q69-K73 VanDerWaalsContact O-CG 3.22Å; Q69-K73 WeakPolarHBondContact O-CG 3.33Å; Q69-K73 PolarHBondContact O-N 3.41Å |
| 70 | L | 90 | Very high | 82.8 | Confident | 85 Ų | 85 | 116.6 Ų | 116.6 | 45% | 0.445 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.4 | -40.3 | 176.8 | -72.5 | 172 | 0 | 0 | 0 | 110.8 | R66 V67 K68 K73 L74 | R66-L70 HydrophobicContact CG-CD1 4.38Å; R66-L70 VanDerWaalsContact O-CG 3.3Å; R66-L70 WeakPolarHBondContact O-CG 3.35Å; R66-L70 PolarHBondContact O-N 3.11Å; V67-L70 CarbonylContact O-C 3.58Å; V67-L70 WeakPolarHBondContact O-CA 3.43Å; V67-L70 WeakPolarHBondContact O-CB 3.32Å; V67-L70 PolarHBondContact O-N 3.06Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.4Å; L70-K73 CarbonylContact O-C 3.5Å; L70-K73 PolarHBondContact O-N 3.4Å; L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 PolarHBondContact O-N 2.92Å |
| 71 | E | 88.3 | Confident | 81.1 | Confident | 100 Ų | 100 | 118.3 Ų | 118.3 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.5 | -48.4 | 170.1 | -69.1 | 170.8 | 165 | 0 | 0 | 110.2 | V67 K68 K73 L74 F75 | V67-E71 HydrophobicContact CG1-CG 4.27Å; V67-E71 WeakPolarHBondContact O-CG 3.25Å; V67-E71 PolarHBondContact O-N 2.89Å; K68-E71 PolarHBondContact O-N 3.36Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 3.46Å; E71-L74 CarbonylContact O-C 3.55Å; E71-L74 PolarHBondContact O-N 2.9Å; E71-L74 VanDerWaalsContact O-N 3.08Å; E71-F75 HydrophobicContact CB-CD2 4.41Å; E71-F75 WeakPolarHBondContact O-CB 3.31Å; E71-F75 VanDerWaalsContact O-CD2 3.26Å; E71-F75 WeakPolarHBondContact O-CD2 3.43Å; E71-F75 PolarHBondContact O-N 2.73Å |
| 72 | E | 85.3 | Confident | 79.6 | Confident | 112 Ų | 112 | 118.4 Ų | 118.4 | 52% | 0.523 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61 | -32.3 | 175.7 | -75.2 | 169.8 | -171.1 | 0 | 0 | 113 | K68 R76 | K68-E72 VanDerWaalsContact CE-OE1 3.24Å; K68-E72 WeakPolarHBondContact CE-OE1 3.39Å; K68-E72 IonicContact NZ-OE1 3.95Å; K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 VanDerWaalsContact O-CG 3.29Å; K68-E72 WeakPolarHBondContact O-CG 3.35Å; K68-E72 PolarHBondContact O-N 2.98Å; E72-R76 PolarHBondContact O-N 2.84Å |
| 73 | K | 80.1 | Confident | 78.3 | Confident | 137 Ų | 137 | 118.9 Ų | 118.9 | 60% | 0.596 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.9 | -32.1 | 174.1 | -77 | 175.3 | -179.9 | -171 | 0 | 112.9 | Q69 L70 E71 | Q69-K73 WeakPolarHBondContact O-CB 3.39Å; Q69-K73 VanDerWaalsContact O-CG 3.22Å; Q69-K73 WeakPolarHBondContact O-CG 3.33Å; Q69-K73 PolarHBondContact O-N 3.41Å; L70-K73 CarbonylContact O-C 3.5Å; L70-K73 PolarHBondContact O-N 3.4Å; E71-K73 VanDerWaalsContact C-N 3.26Å; E71-K73 PolarHBondContact O-N 3.46Å |
| 74 | L | 71.9 | Confident | 77.4 | Confident | 149 Ų | 149 | 116.5 Ų | 116.5 | 78% | 0.78 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.2 | -32.5 | 177 | -165.9 | 74.7 | 0 | 0 | 0 | 111.6 | L70 E71 | L70-L74 WeakPolarHBondContact O-CB 3.46Å; L70-L74 PolarHBondContact O-N 2.92Å; E71-L74 CarbonylContact O-C 3.55Å; E71-L74 PolarHBondContact O-N 2.9Å; E71-L74 VanDerWaalsContact O-N 3.08Å |
| 75 | F | 65.6 | Low | 77 | Confident | 169 Ų | 169 | 114 Ų | 114 | 74% | 0.741 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -89.4 | -4.8 | 174.4 | -79.7 | -74.8 | 0 | 0 | 0 | 113.5 | E71 P77 | E71-F75 HydrophobicContact CB-CD2 4.41Å; E71-F75 WeakPolarHBondContact O-CB 3.31Å; E71-F75 VanDerWaalsContact O-CD2 3.26Å; E71-F75 WeakPolarHBondContact O-CD2 3.43Å; E71-F75 PolarHBondContact O-N 2.73Å; F75-P77 WeakPolarHBondContact O-CD 3.27Å; F75-P77 VanDerWaalsContact O-N 3.15Å |
| 76 | R | 58 | Low | 76.5 | Confident | 195 Ų | 195 | 113.5 Ų | 113.5 | 74% | 0.736 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -62.2 | 116.1 | 158.9 | -178.8 | -173 | -88.6 | -161.7 | -6.1 | 104.9 | E72 E78 | E72-R76 PolarHBondContact O-N 2.84Å; R76-E78 PolarHBondContact O-N 2.9Å |
| 77 | P | 59.6 | Low | 76.3 | Confident | 106 Ų | 106 | 115.3 Ų | 115.3 | 69% | 0.688 | 60% | 0.595 | S | S | * | * | trans | -50.1 | 120 | 175.2 | -24.1 | 34.4 | 0 | 0 | 0 | 107.6 | F75 A79 | F75-P77 WeakPolarHBondContact O-CD 3.27Å; F75-P77 VanDerWaalsContact O-N 3.15Å; P77-A79 PolarHBondContact O-N 2.88Å | ||
| 78 | E | 55.5 | Low | 76.2 | Confident | 198 Ų | 198 | 116.7 Ų | 116.7 | 93% | 0.925 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -58.4 | 109.4 | 178.4 | -168.4 | 164.1 | 168.4 | 0 | 0 | 107.4 | R76 | R76-E78 PolarHBondContact O-N 2.9Š|
| 79 | A | 61 | Low | 76.3 | Confident | 67 Ų | 67 | 115.5 Ų | 115.5 | 55% | 0.554 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 66.2 | 156.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | P77 | P77-A79 PolarHBondContact O-N 2.88Š|
| 80 | P | 62.5 | Low | 76.6 | Confident | 109 Ų | 109 | 118.5 Ų | 118.5 | 71% | 0.708 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -45.3 | 148.4 | 161.7 | -23.2 | 33 | 0 | 0 | 0 | 109.6 | S82 | P80-S82 WeakPolarHBondContact O-CA 3.33Å; P80-S82 PolarHBondContact O-N 3.48Å |
| 81 | P | 62.9 | Low | 76.9 | Confident | 111 Ų | 111 | 117.4 Ų | 117.4 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -44.1 | 112.8 | -176.4 | 17.8 | -30.7 | 0 | 0 | 0 | 108.5 | E83 | P81-E83 PolarHBondContact O-N 3.45Š|
| 82 | S | 65.9 | Low | 77.4 | Confident | 77 Ų | 77 | 119.1 Ų | 119.1 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | trans | -51.5 | 122 | -168.7 | 65.9 | 0 | 0 | 0 | 0 | 107 | P80 G84 P85 | P80-S82 WeakPolarHBondContact O-CA 3.33Å; P80-S82 PolarHBondContact O-N 3.48Å; S82-G84 PolarHBondContact O-N 2.93Å; S82-P85 VanDerWaalsContact O-CD 3.27Å; S82-P85 WeakPolarHBondContact O-CD 3.42Å; S82-P85 WeakPolarHBondContact OG-CD 3.48Å | ||
| 83 | E | 70 | Confident | 78 | Confident | 124 Ų | 124 | 117 Ų | 117 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -67.4 | -9.8 | -175.7 | -66.8 | 171.9 | 149.4 | 0 | 0 | 111.5 | P81 H86 Y87 | P81-E83 PolarHBondContact O-N 3.45Å; E83-H86 WeakPolarHBondContact O-CB 3.32Å; E83-H86 PolarHBondContact O-N 2.95Å; E83-Y87 HydrophobicContact CB-CD2 3.65Å; E83-Y87 HydrophobicContact CB-CE2 3.28Å; E83-Y87 HydrophobicContact CG-CE2 4.28Å; E83-Y87 WeakPolarHBondContact O-CD2 3.46Å; E83-Y87 PolarHBondContact O-N 3.41Å |
| 84 | G | 78.7 | Confident | 78.8 | Confident | 36 Ų | 36 | 113 Ų | 113 | 37% | 0.371 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -47.1 | -61.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S82 H86 Y87 V88 | S82-G84 PolarHBondContact O-N 2.93Å; G84-H86 VanDerWaalsContact C-N 3.26Å; G84-H86 PolarHBondContact O-N 3.48Å; G84-Y87 PolarHBondContact O-N 3.33Å; G84-Y87 VanDerWaalsContact O-N 3.14Å; G84-V88 WeakPolarHBondContact O-CG2 3.37Å; G84-V88 PolarHBondContact O-N 3.06Å |
| 85 | P | 87.8 | Confident | 80.1 | Confident | 84 Ų | 84 | 112.7 Ų | 112.7 | 55% | 0.545 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -53.7 | -37.2 | 175 | -30.9 | 35.9 | 0 | 0 | 0 | 114.7 | S82 N89 | S82-P85 VanDerWaalsContact O-CD 3.27Å; S82-P85 WeakPolarHBondContact O-CD 3.42Å; S82-P85 WeakPolarHBondContact OG-CD 3.48Å; P85-N89 WeakPolarHBondContact O-CB 3.32Å; P85-N89 PolarHBondContact O-N 3Å |
| 86 | H | 87.2 | Confident | 81.7 | Confident | 132 Ų | 132 | 112.4 Ų | 112.4 | 61% | 0.611 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.3 | -41.5 | 177.2 | -71 | -69 | 0 | 0 | 0 | 112.1 | E83 G84 N89 K90 | E83-H86 WeakPolarHBondContact O-CB 3.32Å; E83-H86 PolarHBondContact O-N 2.95Å; G84-H86 VanDerWaalsContact C-N 3.26Å; G84-H86 PolarHBondContact O-N 3.48Å; H86-N89 PolarHBondContact O-N 3.39Å; H86-K90 WeakPolarHBondContact O-CB 3.31Å; H86-K90 PolarHBondContact O-N 3.07Å |
| 87 | Y | 91.6 | Very high | 83.6 | Confident | 141 Ų | 141 | 104.9 Ų | 104.9 | 55% | 0.553 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.7 | -41 | 174.6 | -73.4 | -60.3 | 0 | 0 | 0 | 112.3 | E83 G84 K90 A91 | E83-Y87 HydrophobicContact CB-CD2 3.65Å; E83-Y87 HydrophobicContact CB-CE2 3.28Å; E83-Y87 HydrophobicContact CG-CE2 4.28Å; E83-Y87 WeakPolarHBondContact O-CD2 3.46Å; E83-Y87 PolarHBondContact O-N 3.41Å; G84-Y87 PolarHBondContact O-N 3.33Å; G84-Y87 VanDerWaalsContact O-N 3.14Å; Y87-K90 PolarHBondContact O-N 3.17Å; Y87-A91 WeakPolarHBondContact O-CB 3.24Å; Y87-A91 PolarHBondContact O-N 2.88Å |
| 88 | V | 93.8 | Very high | 85.5 | Confident | 102 Ų | 102 | 105.1 Ų | 105.1 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.2 | -45.5 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | G84 K90 A91 F92 | G84-V88 WeakPolarHBondContact O-CG2 3.37Å; G84-V88 PolarHBondContact O-N 3.06Å; V88-K90 PolarHBondContact O-N 3.45Å; V88-A91 PolarHBondContact O-N 3.48Å; V88-F92 WeakPolarHBondContact O-CB 3.28Å; V88-F92 PolarHBondContact O-N 3.26Å |
| 89 | N | 95.1 | Very high | 87.5 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 54% | 0.535 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.1 | -40.8 | 177.5 | -168.9 | -11.7 | 0 | 0 | 0 | 111.8 | P85 H86 F92 S93 | P85-N89 WeakPolarHBondContact O-CB 3.32Å; P85-N89 PolarHBondContact O-N 3Å; H86-N89 PolarHBondContact O-N 3.39Å; N89-F92 PolarHBondContact O-N 3.42Å; N89-S93 WeakPolarHBondContact O-CB 3.3Å; N89-S93 PolarHBondContact O-N 2.97Å; N89-S93 PolarHBondContact O-OG 3.31Å; N89-S93 PolarHBondContact OD1-OG 2.8Å |
| 90 | K | 96.7 | Very high | 89.3 | Confident | 154 Ų | 154 | 102 Ų | 102 | 67% | 0.67 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 175 | -171.9 | 175.2 | -178.5 | -179.6 | 0 | 111.9 | H86 Y87 V88 S93 A94 | H86-K90 WeakPolarHBondContact O-CB 3.31Å; H86-K90 PolarHBondContact O-N 3.07Å; Y87-K90 PolarHBondContact O-N 3.17Å; V88-K90 PolarHBondContact O-N 3.45Å; K90-S93 PolarHBondContact O-N 3.46Å; K90-A94 WeakPolarHBondContact O-CB 3.3Å; K90-A94 PolarHBondContact O-N 2.89Å |
| 91 | A | 97.1 | Very high | 91 | Very high | 63 Ų | 63 | 102.2 Ų | 102.2 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y87 V88 A94 Y95 | Y87-A91 WeakPolarHBondContact O-CB 3.24Å; Y87-A91 PolarHBondContact O-N 2.88Å; V88-A91 PolarHBondContact O-N 3.48Å; A91-A94 PolarHBondContact O-N 3.01Å; A91-Y95 WeakPolarHBondContact O-CB 3.02Å; A91-Y95 PolarHBondContact O-N 3.1Å |
| 92 | F | 98 | Very high | 92.7 | Very high | 136 Ų | 136 | 103.4 Ų | 103.4 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 177.2 | -170.8 | -96.3 | 0 | 0 | 0 | 112.1 | V88 N89 A94 Y95 R96 | V88-F92 WeakPolarHBondContact O-CB 3.28Å; V88-F92 PolarHBondContact O-N 3.26Å; N89-F92 PolarHBondContact O-N 3.42Å; F92-A94 PolarHBondContact O-N 2.92Å; F92-Y95 PolarHBondContact O-N 3.29Å; F92-R96 WeakPolarHBondContact O-CB 3.12Å; F92-R96 PolarHBondContact O-N 3.28Å |
| 93 | S | 98.2 | Very high | 94.2 | Very high | 67 Ų | 67 | 105.2 Ų | 105.2 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | N89 K90 R96 G97 | N89-S93 WeakPolarHBondContact O-CB 3.3Å; N89-S93 PolarHBondContact O-N 2.97Å; N89-S93 PolarHBondContact O-OG 3.31Å; N89-S93 PolarHBondContact OD1-OG 2.8Å; K90-S93 PolarHBondContact O-N 3.46Å; S93-R96 PolarHBondContact O-N 3.2Å; S93-G97 PolarHBondContact O-N 3.01Å |
| 94 | A | 98.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K90 A91 F92 R96 G97 I98 | K90-A94 WeakPolarHBondContact O-CB 3.3Å; K90-A94 PolarHBondContact O-N 2.89Å; A91-A94 PolarHBondContact O-N 3.01Å; F92-A94 PolarHBondContact O-N 2.92Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.97Å; A94-G97 PolarHBondContact O-N 3.46Å; A94-I98 WeakPolarHBondContact O-CG1 3.25Å; A94-I98 PolarHBondContact O-N 2.69Å |
| 95 | Y | 98.4 | Very high | 96.6 | Very high | 143 Ų | 143 | 106 Ų | 106 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.1 | -46.2 | 176.2 | 174.7 | -97.8 | 0 | 0 | 0 | 111.7 | A91 F92 G97 I98 Y99 | A91-Y95 WeakPolarHBondContact O-CB 3.02Å; A91-Y95 PolarHBondContact O-N 3.1Å; F92-Y95 PolarHBondContact O-N 3.29Å; Y95-G97 VanDerWaalsContact C-N 3.32Å; Y95-G97 PolarHBondContact O-N 3.39Å; Y95-I98 PolarHBondContact O-N 3.49Å; Y95-Y99 WeakPolarHBondContact O-CB 3.31Å; Y95-Y99 PolarHBondContact O-N 3.38Å |
| 96 | R | 98.5 | Very high | 97.1 | Very high | 163 Ų | 163 | 106.2 Ų | 106.2 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 176.5 | -172.6 | 177.2 | -177.4 | -103.3 | -0.8 | 111.7 | F92 S93 A94 Y99 I100 | F92-R96 WeakPolarHBondContact O-CB 3.12Å; F92-R96 PolarHBondContact O-N 3.28Å; S93-R96 PolarHBondContact O-N 3.2Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 2.97Å; R96-Y99 PolarHBondContact O-N 2.94Å; R96-I100 HydrophobicContact CG-CD1 4.31Å; R96-I100 WeakPolarHBondContact O-CG1 3.49Å; R96-I100 PolarHBondContact O-N 3.38Å |
| 97 | G | 98.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 105 Ų | 105 | 38% | 0.381 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -50.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S93 A94 Y95 Y99 I100 E101 | S93-G97 PolarHBondContact O-N 3.01Å; A94-G97 PolarHBondContact O-N 3.46Å; Y95-G97 VanDerWaalsContact C-N 3.32Å; Y95-G97 PolarHBondContact O-N 3.39Å; G97-Y99 VanDerWaalsContact C-N 3.26Å; G97-Y99 PolarHBondContact O-N 3.28Å; G97-I100 PolarHBondContact O-N 2.86Å; G97-E101 PolarHBondContact O-N 3.22Å |
| 98 | I | 98.5 | Very high | 98 | Very high | 110 Ų | 110 | 103.8 Ų | 103.8 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.5 | -38.2 | 177.9 | -67.9 | 164.6 | 0 | 0 | 0 | 111.2 | A94 Y95 E101 K102 | A94-I98 WeakPolarHBondContact O-CG1 3.25Å; A94-I98 PolarHBondContact O-N 2.69Å; Y95-I98 PolarHBondContact O-N 3.49Å; I98-E101 PolarHBondContact O-N 3.37Å; I98-K102 WeakPolarHBondContact O-CB 3.31Å; I98-K102 PolarHBondContact O-N 2.9Å |
| 99 | Y | 98.5 | Very high | 98.2 | Very high | 129 Ų | 129 | 102.7 Ų | 102.7 | 51% | 0.506 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | -179.8 | -164 | -86.1 | 0 | 0 | 0 | 112.4 | Y95 R96 G97 K102 E103 | Y95-Y99 WeakPolarHBondContact O-CB 3.31Å; Y95-Y99 PolarHBondContact O-N 3.38Å; R96-Y99 PolarHBondContact O-N 2.94Å; G97-Y99 VanDerWaalsContact C-N 3.26Å; G97-Y99 PolarHBondContact O-N 3.28Å; Y99-K102 PolarHBondContact O-N 2.88Å; Y99-E103 PolarHBondContact O-N 3.35Å |
| 100 | I | 98.5 | Very high | 98.4 | Very high | 72 Ų | 72 | 101.9 Ų | 101.9 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 175.3 | -65 | 164.9 | 0 | 0 | 0 | 109.8 | R96 G97 K102 E103 D104 | R96-I100 HydrophobicContact CG-CD1 4.31Å; R96-I100 WeakPolarHBondContact O-CG1 3.49Å; R96-I100 PolarHBondContact O-N 3.38Å; G97-I100 PolarHBondContact O-N 2.86Å; I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.23Å; I100-E103 WeakPolarHBondContact O-CA 3.43Å; I100-E103 WeakPolarHBondContact O-CB 3.33Å; I100-E103 PolarHBondContact O-N 3.47Å; I100-D104 PolarHBondContact O-N 2.87Å |
| 101 | E | 98.4 | Very high | 98.5 | Very high | 113 Ų | 113 | 100.5 Ų | 100.5 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -39.1 | 178.3 | -177 | 178.6 | -169.4 | 0 | 0 | 112 | G97 I98 E103 D104 L105 | G97-E101 PolarHBondContact O-N 3.22Å; I98-E101 PolarHBondContact O-N 3.37Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 3.44Å; E101-D104 PolarHBondContact O-N 2.93Å; E101-L105 HydrophobicContact CG-CD1 4.02Å; E101-L105 HydrophobicContact CG-CG 4.33Å; E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 VanDerWaalsContact O-CG 3.27Å; E101-L105 WeakPolarHBondContact O-CG 3.43Å; E101-L105 PolarHBondContact O-N 2.92Å |
| 102 | K | 98.4 | Very high | 98.5 | Very high | 136 Ų | 136 | 102.1 Ų | 102.1 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 174 | 179.6 | -170.4 | 171.9 | -171.3 | 0 | 111.7 | I98 Y99 I100 Q106 | I98-K102 WeakPolarHBondContact O-CB 3.31Å; I98-K102 PolarHBondContact O-N 2.9Å; Y99-K102 PolarHBondContact O-N 2.88Å; I100-K102 VanDerWaalsContact C-N 3.26Å; I100-K102 PolarHBondContact O-N 3.23Å; K102-Q106 VanDerWaalsContact O-CB 3.23Å; K102-Q106 WeakPolarHBondContact O-CB 3.46Å; K102-Q106 PolarHBondContact O-N 3.19Å |
| 103 | E | 98.4 | Very high | 98.6 | Very high | 115 Ų | 115 | 101.5 Ų | 101.5 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 177.6 | -174 | 169.4 | -137.8 | 0 | 0 | 111 | Y99 I100 E101 Q106 M107 | Y99-E103 PolarHBondContact O-N 3.35Å; I100-E103 WeakPolarHBondContact O-CA 3.43Å; I100-E103 WeakPolarHBondContact O-CB 3.33Å; I100-E103 PolarHBondContact O-N 3.47Å; E101-E103 VanDerWaalsContact C-N 3.33Å; E101-E103 PolarHBondContact O-N 3.44Å; E103-Q106 WeakPolarHBondContact O-CB 3.22Å; E103-Q106 PolarHBondContact O-N 3.41Å; E103-M107 HydrophobicContact CG-CE 4.5Å; E103-M107 WeakPolarHBondContact O-CG 3.45Å; E103-M107 PolarHBondContact O-N 3.4Å |
| 104 | D | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 104.4 Ų | 104.4 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 176.3 | -69.7 | -25 | 0 | 0 | 0 | 112.1 | I100 E101 Q106 M107 E108 | I100-D104 PolarHBondContact O-N 2.87Å; E101-D104 PolarHBondContact O-N 2.93Å; D104-Q106 VanDerWaalsContact C-N 3.28Å; D104-Q106 PolarHBondContact O-N 3.11Å; D104-M107 HydrophobicContact CB-CE 4.47Å; D104-M107 WeakPolarHBondContact O-CB 3.41Å; D104-M107 PolarHBondContact O-N 2.85Å; D104-M107 VanDerWaalsContact O-N 3.16Å; D104-M107 WeakPolarHBondContact OD1-CE 3.38Å; D104-E108 PolarHBondContact O-N 3.18Å |
| 105 | L | 98.8 | Very high | 98.6 | Very high | 93 Ų | 93 | 106 Ų | 106 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 176.3 | -71.3 | 174.7 | 0 | 0 | 0 | 112 | E101 M107 E108 L109 | E101-L105 HydrophobicContact CG-CD1 4.02Å; E101-L105 HydrophobicContact CG-CG 4.33Å; E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 VanDerWaalsContact O-CG 3.27Å; E101-L105 WeakPolarHBondContact O-CG 3.43Å; E101-L105 PolarHBondContact O-N 2.92Å; L105-M107 VanDerWaalsContact C-N 3.35Å; L105-E108 PolarHBondContact O-N 2.68Å; L105-L109 VanDerWaalsContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CB 3.42Å; L105-L109 PolarHBondContact O-N 2.99Å |
| 106 | Q | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 106.1 Ų | 106.1 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 175.9 | -174.6 | 60.8 | 74.4 | 0 | 0 | 111.5 | K102 E103 D104 N110 | K102-Q106 VanDerWaalsContact O-CB 3.23Å; K102-Q106 WeakPolarHBondContact O-CB 3.46Å; K102-Q106 PolarHBondContact O-N 3.19Å; E103-Q106 WeakPolarHBondContact O-CB 3.22Å; E103-Q106 PolarHBondContact O-N 3.41Å; D104-Q106 VanDerWaalsContact C-N 3.28Å; D104-Q106 PolarHBondContact O-N 3.11Å; Q106-N110 PolarHBondContact NE2-OD1 3.31Å; Q106-N110 WeakPolarHBondContact O-CB 3.25Å; Q106-N110 PolarHBondContact O-N 2.87Å; Q106-N110 VanDerWaalsContact O-N 3.1Å; Q106-N110 PolarHBondContact O-ND2 2.99Å |
| 107 | M | 98.7 | Very high | 98.6 | Very high | 108 Ų | 108 | 101.5 Ų | 101.5 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 172.9 | -69.9 | -172.1 | -69.7 | 0 | 0 | 111.5 | E103 D104 L105 N110 K111 | E103-M107 HydrophobicContact CG-CE 4.5Å; E103-M107 WeakPolarHBondContact O-CG 3.45Å; E103-M107 PolarHBondContact O-N 3.4Å; D104-M107 HydrophobicContact CB-CE 4.47Å; D104-M107 WeakPolarHBondContact O-CB 3.41Å; D104-M107 PolarHBondContact O-N 2.85Å; D104-M107 VanDerWaalsContact O-N 3.16Å; D104-M107 WeakPolarHBondContact OD1-CE 3.38Å; L105-M107 VanDerWaalsContact C-N 3.35Å; M107-N110 PolarHBondContact O-N 3.02Å; M107-K111 WeakPolarHBondContact O-CB 3.37Å; M107-K111 PolarHBondContact O-N 3.27Å |
| 108 | E | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 178.2 | -170.5 | 166.8 | -158.5 | 0 | 0 | 112 | D104 L105 N110 K111 L112 | D104-E108 PolarHBondContact O-N 3.18Å; L105-E108 PolarHBondContact O-N 2.68Å; E108-N110 VanDerWaalsContact C-N 3.35Å; E108-N110 PolarHBondContact O-N 3.04Å; E108-K111 WeakPolarHBondContact O-CB 3.49Å; E108-K111 PolarHBondContact O-N 2.91Å; E108-L112 HydrophobicContact CG-CD1 4.39Å; E108-L112 WeakPolarHBondContact O-CB 3.45Å; E108-L112 WeakPolarHBondContact O-CG 3.3Å; E108-L112 PolarHBondContact O-N 3.5Å |
| 109 | L | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 101.7 Ų | 101.7 | 42% | 0.419 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 173.7 | 177.5 | 61.7 | 0 | 0 | 0 | 111.9 | L105 K111 L112 K113 | L105-L109 VanDerWaalsContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CB 3.42Å; L105-L109 PolarHBondContact O-N 2.99Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-L112 PolarHBondContact O-N 3.27Å; L109-K113 HydrophobicContact CG-CD 4.47Å; L109-K113 WeakPolarHBondContact O-CG 3.34Å; L109-K113 PolarHBondContact O-N 3.42Å |
| 110 | N | 98.8 | Very high | 98.7 | Very high | 82 Ų | 82 | 101.3 Ų | 101.3 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 178.6 | -71.9 | -20.8 | 0 | 0 | 0 | 111.5 | Q106 M107 E108 K113 K114 | Q106-N110 PolarHBondContact NE2-OD1 3.31Å; Q106-N110 WeakPolarHBondContact O-CB 3.25Å; Q106-N110 PolarHBondContact O-N 2.87Å; Q106-N110 VanDerWaalsContact O-N 3.1Å; Q106-N110 PolarHBondContact O-ND2 2.99Å; M107-N110 PolarHBondContact O-N 3.02Å; E108-N110 VanDerWaalsContact C-N 3.35Å; E108-N110 PolarHBondContact O-N 3.04Å; N110-K113 PolarHBondContact O-N 3.48Å; N110-K114 PolarHBondContact O-N 3.29Å; N110-K114 VanDerWaalsContact O-N 3.09Å |
| 111 | K | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 103.6 Ų | 103.6 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 173.6 | -180 | -178.1 | 169.6 | -172.2 | 0 | 111.3 | M107 E108 L109 K113 K114 E115 | M107-K111 WeakPolarHBondContact O-CB 3.37Å; M107-K111 PolarHBondContact O-N 3.27Å; E108-K111 WeakPolarHBondContact O-CB 3.49Å; E108-K111 PolarHBondContact O-N 2.91Å; L109-K111 VanDerWaalsContact C-N 3.34Å; K111-K113 VanDerWaalsContact C-N 3.33Å; K111-K113 PolarHBondContact O-N 3.37Å; K111-K114 WeakPolarHBondContact O-CB 3.47Å; K111-K114 PolarHBondContact O-N 3.32Å; K111-K114 VanDerWaalsContact O-N 3.1Å; K111-E115 WeakPolarHBondContact CE-OE1 3.27Å; K111-E115 IonicContact NZ-OE1 3.88Å; K111-E115 PolarHBondContact O-N 3.06Å |
| 112 | L | 98.8 | Very high | 98.7 | Very high | 97 Ų | 97 | 102.5 Ų | 102.5 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 178.5 | -76 | 172.7 | 0 | 0 | 0 | 112.5 | E108 L109 K114 E115 K116 | E108-L112 HydrophobicContact CG-CD1 4.39Å; E108-L112 WeakPolarHBondContact O-CB 3.45Å; E108-L112 WeakPolarHBondContact O-CG 3.3Å; E108-L112 PolarHBondContact O-N 3.5Å; L109-L112 PolarHBondContact O-N 3.27Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 3.13Å; L112-E115 PolarHBondContact O-N 3.44Å; L112-K116 VanDerWaalsContact O-CB 3.23Å; L112-K116 WeakPolarHBondContact O-CB 3.37Å; L112-K116 PolarHBondContact O-N 2.95Å |
| 113 | K | 98.8 | Very high | 98.7 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 173.6 | -78.1 | 176.2 | 177.7 | 179.6 | 0 | 111.7 | L109 N110 K111 S117 | L109-K113 HydrophobicContact CG-CD 4.47Å; L109-K113 WeakPolarHBondContact O-CG 3.34Å; L109-K113 PolarHBondContact O-N 3.42Å; N110-K113 PolarHBondContact O-N 3.48Å; K111-K113 VanDerWaalsContact C-N 3.33Å; K111-K113 PolarHBondContact O-N 3.37Å; K113-S117 PolarHBondContact O-N 2.7Å; K113-S117 PolarHBondContact O-OG 2.84Å |
| 114 | K | 98.8 | Very high | 98.7 | Very high | 128 Ų | 128 | 99.1 Ų | 99.1 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.5 | -52.4 | 177.4 | -178.1 | 177.1 | 171.8 | -179.8 | 0 | 111.3 | N110 K111 L112 K116 S117 E118 | N110-K114 PolarHBondContact O-N 3.29Å; N110-K114 VanDerWaalsContact O-N 3.09Å; K111-K114 WeakPolarHBondContact O-CB 3.47Å; K111-K114 PolarHBondContact O-N 3.32Å; K111-K114 VanDerWaalsContact O-N 3.1Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 3.13Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 3.07Å; K114-S117 PolarHBondContact O-N 3.09Å; K114-S117 VanDerWaalsContact O-N 3.09Å; K114-S117 PolarHBondContact O-OG 3.41Å; K114-E118 WeakPolarHBondContact CE-OE1 3.4Å; K114-E118 HydrophobicContact CG-CG 4.43Å; K114-E118 IonicContact NZ-OE1 3.85Å; K114-E118 WeakPolarHBondContact O-CG 3.35Å; K114-E118 PolarHBondContact O-N 2.85Å |
| 115 | E | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 99.2 Ų | 99.2 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -38.6 | 178.3 | -71 | 175.3 | 174.9 | 0 | 0 | 112.2 | K111 L112 E118 S119 | K111-E115 WeakPolarHBondContact CE-OE1 3.27Å; K111-E115 IonicContact NZ-OE1 3.88Å; K111-E115 PolarHBondContact O-N 3.06Å; L112-E115 PolarHBondContact O-N 3.44Å; E115-E118 PolarHBondContact O-N 3.11Å; E115-S119 WeakPolarHBondContact O-CB 3.38Å; E115-S119 PolarHBondContact O-N 2.88Å; E115-S119 PolarHBondContact O-OG 3.36Å |
| 116 | K | 98.6 | Very high | 98.7 | Very high | 146 Ų | 146 | 101.1 Ų | 101.1 | 64% | 0.635 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.6 | -50 | 172.8 | -175.1 | -173.7 | 176.4 | -171.4 | 0 | 111.5 | L112 K114 E118 S119 E120 | L112-K116 VanDerWaalsContact O-CB 3.23Å; L112-K116 WeakPolarHBondContact O-CB 3.37Å; L112-K116 PolarHBondContact O-N 2.95Å; K114-K116 VanDerWaalsContact C-N 3.28Å; K114-K116 PolarHBondContact O-N 3.07Å; K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 PolarHBondContact O-N 3.42Å; K116-S119 WeakPolarHBondContact CA-OG 3.31Å; K116-S119 PolarHBondContact O-N 3.37Å; K116-S119 PolarHBondContact O-OG 2.94Å; K116-E120 WeakPolarHBondContact O-CB 3.32Å; K116-E120 PolarHBondContact O-N 3.3Å |
| 117 | S | 98.7 | Very high | 98.7 | Very high | 65 Ų | 65 | 101.7 Ų | 101.7 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 179 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | K113 K114 R121 | K113-S117 PolarHBondContact O-N 2.7Å; K113-S117 PolarHBondContact O-OG 2.84Å; K114-S117 PolarHBondContact O-N 3.09Å; K114-S117 VanDerWaalsContact O-N 3.09Å; K114-S117 PolarHBondContact O-OG 3.41Å; S117-R121 WeakPolarHBondContact O-CB 3.45Å; S117-R121 PolarHBondContact O-N 3.34Å |
| 118 | E | 98.8 | Very high | 98.7 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.2 | -42.1 | 177.5 | -74 | 176.5 | 174.1 | 0 | 0 | 111.9 | K114 E115 K116 R121 L122 | K114-E118 WeakPolarHBondContact CE-OE1 3.4Å; K114-E118 HydrophobicContact CG-CG 4.43Å; K114-E118 IonicContact NZ-OE1 3.85Å; K114-E118 WeakPolarHBondContact O-CG 3.35Å; K114-E118 PolarHBondContact O-N 2.85Å; E115-E118 PolarHBondContact O-N 3.11Å; K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 PolarHBondContact O-N 3.42Å; E118-R121 PolarHBondContact O-N 2.91Å; E118-L122 WeakPolarHBondContact O-CG 3.46Å; E118-L122 PolarHBondContact O-N 3.45Å |
| 119 | S | 98.6 | Very high | 98.7 | Very high | 69 Ų | 69 | 98.9 Ų | 98.9 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | E115 K116 L122 L123 | E115-S119 WeakPolarHBondContact O-CB 3.38Å; E115-S119 PolarHBondContact O-N 2.88Å; E115-S119 PolarHBondContact O-OG 3.36Å; K116-S119 WeakPolarHBondContact CA-OG 3.31Å; K116-S119 PolarHBondContact O-N 3.37Å; K116-S119 PolarHBondContact O-OG 2.94Å; S119-L122 PolarHBondContact O-N 2.86Å; S119-L123 WeakPolarHBondContact O-CB 3.36Å; S119-L123 PolarHBondContact O-N 2.76Å |
| 120 | E | 98.7 | Very high | 98.7 | Very high | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 173.2 | -177.4 | 173.2 | -169.8 | 0 | 0 | 111.9 | K116 L123 T124 | K116-E120 WeakPolarHBondContact O-CB 3.32Å; K116-E120 PolarHBondContact O-N 3.3Å; E120-L123 PolarHBondContact O-N 3.48Å; E120-T124 PolarHBondContact O-N 3.05Å; E120-T124 PolarHBondContact O-OG1 3.32Å |
| 121 | R | 98.8 | Very high | 98.7 | Very high | 119 Ų | 119 | 102.1 Ų | 102.1 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 174.1 | -175.5 | -169.3 | 62.3 | 76.8 | 9.8 | 111.4 | S117 E118 L123 T124 E125 | S117-R121 WeakPolarHBondContact O-CB 3.45Å; S117-R121 PolarHBondContact O-N 3.34Å; E118-R121 PolarHBondContact O-N 2.91Å; R121-L123 PolarHBondContact O-N 2.84Å; R121-T124 WeakPolarHBondContact O-CB 3.34Å; R121-T124 PolarHBondContact O-N 3.36Å; R121-E125 IonicContact CZ-OE1 3.69Å; R121-E125 IonicContact CZ-OE2 3.79Å; R121-E125 IonicContact NH1-OE1 2.59Å; R121-E125 PolarHBondContact NH1-OE1 3.27Å; R121-E125 IonicContact NH1-OE2 2.81Å; R121-E125 PolarHBondContact NH1-OE2 3.12Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.33Å |
| 122 | L | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 101.5 Ų | 101.5 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 179.6 | -74.1 | 172 | 0 | 0 | 0 | 112.7 | E118 S119 T124 E125 Q126 | E118-L122 WeakPolarHBondContact O-CG 3.46Å; E118-L122 PolarHBondContact O-N 3.45Å; S119-L122 PolarHBondContact O-N 2.86Å; L122-T124 VanDerWaalsContact C-N 3.32Å; L122-E125 PolarHBondContact O-N 3.46Å; L122-Q126 PolarHBondContact O-N 2.96Å |
| 123 | L | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 176.5 | -175.8 | 64.1 | 0 | 0 | 0 | 111.2 | S119 E120 R121 Q126 L127 | S119-L123 WeakPolarHBondContact O-CB 3.36Å; S119-L123 PolarHBondContact O-N 2.76Å; E120-L123 PolarHBondContact O-N 3.48Å; R121-L123 PolarHBondContact O-N 2.84Å; L123-Q126 PolarHBondContact O-N 2.98Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 2.82Å |
| 124 | T | 98.7 | Very high | 98.7 | Very high | 64 Ų | 64 | 99.6 Ų | 99.6 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.8 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | E120 R121 L122 L127 Q128 | E120-T124 PolarHBondContact O-N 3.05Å; E120-T124 PolarHBondContact O-OG1 3.32Å; R121-T124 WeakPolarHBondContact O-CB 3.34Å; R121-T124 PolarHBondContact O-N 3.36Å; L122-T124 VanDerWaalsContact C-N 3.32Å; T124-L127 PolarHBondContact O-N 3.35Å; T124-Q128 WeakPolarHBondContact O-CG 3.42Å; T124-Q128 PolarHBondContact O-N 3.12Å |
| 125 | E | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 98.5 Ų | 98.5 | 40% | 0.402 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 175.5 | -74.7 | 170.8 | -178.2 | 0 | 0 | 112.3 | R121 L122 L127 Q128 A129 | R121-E125 IonicContact CZ-OE1 3.69Å; R121-E125 IonicContact CZ-OE2 3.79Å; R121-E125 IonicContact NH1-OE1 2.59Å; R121-E125 PolarHBondContact NH1-OE1 3.27Å; R121-E125 IonicContact NH1-OE2 2.81Å; R121-E125 PolarHBondContact NH1-OE2 3.12Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.33Å; L122-E125 PolarHBondContact O-N 3.46Å; E125-L127 VanDerWaalsContact C-N 3.35Å; E125-Q128 PolarHBondContact O-N 3.33Å; E125-A129 WeakPolarHBondContact O-CB 3.47Å; E125-A129 PolarHBondContact O-N 2.73Å |
| 126 | Q | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 100 Ų | 100 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 174 | -79.9 | -172.4 | 3.7 | 0 | 0 | 112.2 | L122 L123 A129 K130 | L122-Q126 PolarHBondContact O-N 2.96Å; L123-Q126 PolarHBondContact O-N 2.98Å; Q126-A129 PolarHBondContact O-N 2.72Å; Q126-K130 WeakPolarHBondContact O-CB 3.49Å; Q126-K130 VanDerWaalsContact O-CG 3.3Å; Q126-K130 WeakPolarHBondContact O-CG 3.43Å; Q126-K130 PolarHBondContact O-N 2.93Å |
| 127 | L | 98.7 | Very high | 98.7 | Very high | 99 Ų | 99 | 97.7 Ų | 97.7 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -51.2 | 176.9 | 178.6 | 63.6 | 0 | 0 | 0 | 110.7 | L123 T124 E125 A129 K130 E131 | L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 2.82Å; T124-L127 PolarHBondContact O-N 3.35Å; E125-L127 VanDerWaalsContact C-N 3.35Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.95Å; L127-K130 PolarHBondContact O-N 3.25Å; L127-K130 VanDerWaalsContact O-N 3.1Å; L127-E131 HydrophobicContact CD1-CG 4.49Å; L127-E131 WeakPolarHBondContact O-CG 3.45Å; L127-E131 PolarHBondContact O-N 2.99Å |
| 128 | Q | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 177.7 | -71.7 | 176.4 | -4.1 | 0 | 0 | 112.1 | T124 E125 K130 E131 L132 | T124-Q128 WeakPolarHBondContact O-CG 3.42Å; T124-Q128 PolarHBondContact O-N 3.12Å; E125-Q128 PolarHBondContact O-N 3.33Å; Q128-K130 VanDerWaalsContact C-N 3.32Å; Q128-K130 PolarHBondContact O-N 2.89Å; Q128-E131 PolarHBondContact O-N 3.37Å; Q128-L132 WeakPolarHBondContact O-CG 3.33Å; Q128-L132 PolarHBondContact O-N 2.87Å |
| 129 | A | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 101.9 Ų | 101.9 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E125 Q126 L127 L132 E133 | E125-A129 WeakPolarHBondContact O-CB 3.47Å; E125-A129 PolarHBondContact O-N 2.73Å; Q126-A129 PolarHBondContact O-N 2.72Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.95Å; A129-L132 PolarHBondContact O-N 3.36Å; A129-E133 WeakPolarHBondContact O-CB 3.3Å; A129-E133 PolarHBondContact O-N 3.5Å |
| 130 | K | 98.7 | Very high | 98.7 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 176.9 | -71.8 | -73.2 | 162.4 | -160.5 | 0 | 112.7 | Q126 L127 Q128 L132 E133 I134 | Q126-K130 WeakPolarHBondContact O-CB 3.49Å; Q126-K130 VanDerWaalsContact O-CG 3.3Å; Q126-K130 WeakPolarHBondContact O-CG 3.43Å; Q126-K130 PolarHBondContact O-N 2.93Å; L127-K130 PolarHBondContact O-N 3.25Å; L127-K130 VanDerWaalsContact O-N 3.1Å; Q128-K130 VanDerWaalsContact C-N 3.32Å; Q128-K130 PolarHBondContact O-N 2.89Å; K130-L132 VanDerWaalsContact C-N 3.34Å; K130-E133 WeakPolarHBondContact CD-OE2 3.36Å; K130-E133 IonicContact NZ-OE1 3.93Å; K130-E133 IonicContact NZ-OE2 2.69Å; K130-E133 PolarHBondContact NZ-OE2 3.4Å; K130-E133 PolarHBondContact O-N 2.97Å; K130-I134 VanDerWaalsContact O-CG1 3.31Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 3.46Å |
| 131 | E | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 103 Ų | 103 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.2 | -72.1 | 172.2 | 162.9 | 0 | 0 | 111.4 | L127 Q128 I134 L135 | L127-E131 HydrophobicContact CD1-CG 4.49Å; L127-E131 WeakPolarHBondContact O-CG 3.45Å; L127-E131 PolarHBondContact O-N 2.99Å; Q128-E131 PolarHBondContact O-N 3.37Å; E131-I134 PolarHBondContact O-N 3.45Å; E131-L135 WeakPolarHBondContact O-CB 3.37Å; E131-L135 PolarHBondContact O-N 2.98Å |
| 132 | L | 98.8 | Very high | 98.6 | Very high | 114 Ų | 114 | 103.2 Ų | 103.2 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -42.4 | 175.6 | -71.9 | 174.6 | 0 | 0 | 0 | 112.5 | Q128 A129 K130 I134 L135 Q136 | Q128-L132 WeakPolarHBondContact O-CG 3.33Å; Q128-L132 PolarHBondContact O-N 2.87Å; A129-L132 PolarHBondContact O-N 3.36Å; K130-L132 VanDerWaalsContact C-N 3.34Å; L132-I134 VanDerWaalsContact C-N 3.35Å; L132-I134 PolarHBondContact O-N 3.25Å; L132-L135 PolarHBondContact O-N 2.91Å; L132-Q136 WeakPolarHBondContact O-CB 3.44Å; L132-Q136 PolarHBondContact O-N 3Å |
| 133 | E | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 102.2 Ų | 102.2 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.9 | -176.4 | -178.9 | -174.6 | 0 | 0 | 111.4 | A129 K130 L135 Q136 L137 | A129-E133 WeakPolarHBondContact O-CB 3.3Å; A129-E133 PolarHBondContact O-N 3.5Å; K130-E133 WeakPolarHBondContact CD-OE2 3.36Å; K130-E133 IonicContact NZ-OE1 3.93Å; K130-E133 IonicContact NZ-OE2 2.69Å; K130-E133 PolarHBondContact NZ-OE2 3.4Å; K130-E133 PolarHBondContact O-N 2.97Å; E133-L135 PolarHBondContact O-N 3.43Å; E133-Q136 PolarHBondContact O-N 3.5Å; E133-L137 HydrophobicContact CG-CD1 4.28Å; E133-L137 WeakPolarHBondContact O-CB 3.33Å; E133-L137 VanDerWaalsContact O-CG 3.32Å; E133-L137 WeakPolarHBondContact O-CG 3.23Å; E133-L137 PolarHBondContact O-N 2.95Å |
| 134 | I | 98.8 | Very high | 98.4 | Very high | 94 Ų | 94 | 99.3 Ų | 99.3 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.4 | -69.7 | 167 | 0 | 0 | 0 | 111 | K130 E131 L132 Q136 L137 R138 | K130-I134 VanDerWaalsContact O-CG1 3.31Å; K130-I134 WeakPolarHBondContact O-CG1 3.38Å; K130-I134 PolarHBondContact O-N 3.46Å; E131-I134 PolarHBondContact O-N 3.45Å; L132-I134 VanDerWaalsContact C-N 3.35Å; L132-I134 PolarHBondContact O-N 3.25Å; I134-Q136 VanDerWaalsContact C-N 3.35Å; I134-L137 PolarHBondContact O-N 2.91Å; I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 WeakPolarHBondContact O-CG 3.46Å; I134-R138 PolarHBondContact O-N 3.47Å |
| 135 | L | 98.8 | Very high | 98.3 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.5 | -173.7 | 66.5 | 0 | 0 | 0 | 110.7 | E131 L132 E133 R138 T139 | E131-L135 WeakPolarHBondContact O-CB 3.37Å; E131-L135 PolarHBondContact O-N 2.98Å; L132-L135 PolarHBondContact O-N 2.91Å; E133-L135 PolarHBondContact O-N 3.43Å; L135-R138 WeakPolarHBondContact O-CB 3.48Å; L135-R138 PolarHBondContact O-N 3.31Å; L135-T139 PolarHBondContact O-N 2.82Å; L135-T139 PolarHBondContact O-OG1 2.88Å; L135-T139 VanDerWaalsContact O-OG1 3.12Å |
| 136 | Q | 98.8 | Very high | 98.1 | Very high | 117 Ų | 117 | 101.9 Ų | 101.9 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 176.2 | -179.8 | 177.7 | -11.2 | 0 | 0 | 111.6 | L132 E133 I134 R138 T139 E140 | L132-Q136 WeakPolarHBondContact O-CB 3.44Å; L132-Q136 PolarHBondContact O-N 3Å; E133-Q136 PolarHBondContact O-N 3.5Å; I134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-R138 VanDerWaalsContact C-N 3.27Å; Q136-R138 PolarHBondContact O-N 3.45Å; Q136-T139 PolarHBondContact O-N 3.29Å; Q136-T139 VanDerWaalsContact O-N 3.12Å; Q136-E140 HydrophobicContact CG-CG 4.36Å; Q136-E140 WeakPolarHBondContact CG-OE1 2.83Å; Q136-E140 PolarHBondContact NE2-OE1 3.44Å; Q136-E140 WeakPolarHBondContact O-CG 3.42Å; Q136-E140 PolarHBondContact O-N 3.38Å |
| 137 | L | 98.7 | Very high | 97.8 | Very high | 97 Ų | 97 | 100.3 Ų | 100.3 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -36.8 | 178.4 | -72.1 | 173.1 | 0 | 0 | 0 | 112.2 | E133 I134 M141 | E133-L137 HydrophobicContact CG-CD1 4.28Å; E133-L137 WeakPolarHBondContact O-CB 3.33Å; E133-L137 VanDerWaalsContact O-CG 3.32Å; E133-L137 WeakPolarHBondContact O-CG 3.23Å; E133-L137 PolarHBondContact O-N 2.95Å; I134-L137 PolarHBondContact O-N 2.91Å; L137-M141 VanDerWaalsContact O-CB 3.27Å; L137-M141 WeakPolarHBondContact O-CB 3.29Å; L137-M141 PolarHBondContact O-N 3.35Å |
| 138 | R | 98.4 | Very high | 97.4 | Very high | 164 Ų | 164 | 102.7 Ų | 102.7 | 62% | 0.619 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -46.4 | 173.9 | -77.6 | 179.2 | 176 | -136.8 | 2 | 111.7 | I134 L135 Q136 M141 E142 | I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 WeakPolarHBondContact O-CG 3.46Å; I134-R138 PolarHBondContact O-N 3.47Å; L135-R138 WeakPolarHBondContact O-CB 3.48Å; L135-R138 PolarHBondContact O-N 3.31Å; Q136-R138 VanDerWaalsContact C-N 3.27Å; Q136-R138 PolarHBondContact O-N 3.45Å; R138-M141 PolarHBondContact O-N 2.95Å; R138-E142 WeakPolarHBondContact O-CB 3.5Å; R138-E142 PolarHBondContact O-N 3.34Å |
| 139 | T | 98.4 | Very high | 97 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | L135 Q136 E142 T143 | L135-T139 PolarHBondContact O-N 2.82Å; L135-T139 PolarHBondContact O-OG1 2.88Å; L135-T139 VanDerWaalsContact O-OG1 3.12Å; Q136-T139 PolarHBondContact O-N 3.29Å; Q136-T139 VanDerWaalsContact O-N 3.12Å; T139-E142 PolarHBondContact O-N 2.81Å; T139-T143 VanDerWaalsContact O-CB 3.3Å; T139-T143 WeakPolarHBondContact O-CB 3.41Å; T139-T143 PolarHBondContact O-N 3.1Å; T139-T143 PolarHBondContact O-OG1 2.97Å |
| 140 | E | 98.1 | Very high | 96.4 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 43% | 0.425 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.1 | -74.5 | 177.8 | -166.5 | 0 | 0 | 111.5 | Q136 T144 | Q136-E140 HydrophobicContact CG-CG 4.36Å; Q136-E140 WeakPolarHBondContact CG-OE1 2.83Å; Q136-E140 PolarHBondContact NE2-OE1 3.44Å; Q136-E140 WeakPolarHBondContact O-CG 3.42Å; Q136-E140 PolarHBondContact O-N 3.38Å; E140-T144 VanDerWaalsContact O-CB 3.25Å; E140-T144 WeakPolarHBondContact O-CB 3.44Å; E140-T144 PolarHBondContact O-N 2.69Å; E140-T144 PolarHBondContact O-OG1 3.4Å |
| 141 | M | 98.1 | Very high | 95.5 | Very high | 125 Ų | 125 | 104.5 Ų | 104.5 | 62% | 0.616 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | 175.3 | -180 | -176.7 | 66.4 | 0 | 0 | 111.7 | L137 R138 T144 Q145 | L137-M141 VanDerWaalsContact O-CB 3.27Å; L137-M141 WeakPolarHBondContact O-CB 3.29Å; L137-M141 PolarHBondContact O-N 3.35Å; R138-M141 PolarHBondContact O-N 2.95Å; M141-T144 PolarHBondContact O-N 3.25Å; M141-Q145 WeakPolarHBondContact O-CB 3.45Å; M141-Q145 PolarHBondContact O-N 2.98Å |
| 142 | E | 97.5 | Very high | 93.7 | Very high | 123 Ų | 123 | 101.3 Ų | 101.3 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -46.5 | 178.6 | -177.8 | 173.4 | -160.2 | 0 | 0 | 111.5 | R138 T139 T144 Q145 V146 | R138-E142 WeakPolarHBondContact O-CB 3.5Å; R138-E142 PolarHBondContact O-N 3.34Å; T139-E142 PolarHBondContact O-N 2.81Å; E142-T144 VanDerWaalsContact C-N 3.32Å; E142-T144 PolarHBondContact O-N 3Å; E142-Q145 WeakPolarHBondContact O-CB 2.88Å; E142-Q145 PolarHBondContact O-N 2.94Å; E142-Q145 VanDerWaalsContact O-N 3.11Å; E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 3.35Å |
| 143 | T | 97.3 | Very high | 91.8 | Very high | 69 Ų | 69 | 99.3 Ų | 99.3 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.6 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | T139 Q145 V146 M147 | T139-T143 VanDerWaalsContact O-CB 3.3Å; T139-T143 WeakPolarHBondContact O-CB 3.41Å; T139-T143 PolarHBondContact O-N 3.1Å; T139-T143 PolarHBondContact O-OG1 2.97Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 PolarHBondContact O-N 2.8Å; T143-V146 PolarHBondContact O-N 3.21Å; T143-M147 HydrophobicContact CG2-CE 4.13Å; T143-M147 WeakPolarHBondContact O-CB 3.49Å; T143-M147 WeakPolarHBondContact O-CG 3.46Å; T143-M147 PolarHBondContact O-N 2.59Å |
| 144 | T | 96.3 | Very high | 89.8 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 34% | 0.337 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.4 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | E140 M141 E142 K148 | E140-T144 VanDerWaalsContact O-CB 3.25Å; E140-T144 WeakPolarHBondContact O-CB 3.44Å; E140-T144 PolarHBondContact O-N 2.69Å; E140-T144 PolarHBondContact O-OG1 3.4Å; M141-T144 PolarHBondContact O-N 3.25Å; E142-T144 VanDerWaalsContact C-N 3.32Å; E142-T144 PolarHBondContact O-N 3Å; T144-K148 HydrophobicContact CG2-CD 4.08Å; T144-K148 WeakPolarHBondContact O-CB 3.23Å; T144-K148 VanDerWaalsContact O-CG 3.22Å; T144-K148 WeakPolarHBondContact O-CG 3.34Å; T144-K148 PolarHBondContact O-N 2.99Å |
| 145 | Q | 96.1 | Very high | 87.7 | Confident | 132 Ų | 132 | 102.1 Ų | 102.1 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 176.8 | -179 | 177.9 | -6.9 | 0 | 0 | 111.8 | M141 E142 T143 K148 S149 | M141-Q145 WeakPolarHBondContact O-CB 3.45Å; M141-Q145 PolarHBondContact O-N 2.98Å; E142-Q145 WeakPolarHBondContact O-CB 2.88Å; E142-Q145 PolarHBondContact O-N 2.94Å; E142-Q145 VanDerWaalsContact O-N 3.11Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 PolarHBondContact O-N 2.8Å; Q145-K148 PolarHBondContact O-N 2.95Å; Q145-S149 PolarHBondContact O-N 3.46Å |
| 146 | V | 95.4 | Very high | 85.7 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | E142 T143 K148 S149 L150 | E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 3.35Å; T143-V146 PolarHBondContact O-N 3.21Å; V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 3.38Å; V146-S149 PolarHBondContact O-N 3.24Å; V146-S149 PolarHBondContact O-OG 3.39Å; V146-L150 HydrophobicContact CG1-CD1 4.01Å; V146-L150 HydrophobicContact CG1-CG 4.35Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.27Å; V146-L150 PolarHBondContact O-N 2.81Å |
| 147 | M | 92.6 | Very high | 83.8 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 175.3 | -73.9 | -170.5 | -61.3 | 0 | 0 | 111.5 | T143 L150 N151 | T143-M147 HydrophobicContact CG2-CE 4.13Å; T143-M147 WeakPolarHBondContact O-CB 3.49Å; T143-M147 WeakPolarHBondContact O-CG 3.46Å; T143-M147 PolarHBondContact O-N 2.59Å; M147-L150 PolarHBondContact O-N 2.97Å; M147-N151 WeakPolarHBondContact O-CB 3.37Å; M147-N151 PolarHBondContact O-N 2.9Å; M147-N151 PolarHBondContact O-ND2 3.38Å |
| 148 | K | 90.8 | Very high | 82.3 | Confident | 149 Ų | 149 | 102.3 Ų | 102.3 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -36.5 | 176.2 | -76.6 | 171.6 | 179.5 | 174.9 | 0 | 112.9 | T144 Q145 V146 N151 S152 | T144-K148 HydrophobicContact CG2-CD 4.08Å; T144-K148 WeakPolarHBondContact O-CB 3.23Å; T144-K148 VanDerWaalsContact O-CG 3.22Å; T144-K148 WeakPolarHBondContact O-CG 3.34Å; T144-K148 PolarHBondContact O-N 2.99Å; Q145-K148 PolarHBondContact O-N 2.95Å; V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 3.38Å; K148-N151 CarbonylContact O-C 3.59Å; K148-N151 PolarHBondContact O-N 3.42Å; K148-S152 PolarHBondContact O-N 2.95Å |
| 149 | S | 89.2 | Confident | 81 | Confident | 76 Ų | 76 | 101.8 Ų | 101.8 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.8 | -33.1 | 177.9 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | Q145 V146 S152 | Q145-S149 PolarHBondContact O-N 3.46Å; V146-S149 PolarHBondContact O-N 3.24Å; V146-S149 PolarHBondContact O-OG 3.39Å; S149-S152 VanDerWaalsContact O-CB 3.24Å; S149-S152 WeakPolarHBondContact O-CB 3.48Å; S149-S152 PolarHBondContact O-N 2.94Å |
| 150 | L | 85.6 | Confident | 79.9 | Confident | 134 Ų | 134 | 103.2 Ų | 103.2 | 70% | 0.702 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.6 | -36.7 | 171.7 | -66.2 | 176.1 | 0 | 0 | 0 | 111.7 | V146 M147 S152 | V146-L150 HydrophobicContact CG1-CD1 4.01Å; V146-L150 HydrophobicContact CG1-CG 4.35Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.27Å; V146-L150 PolarHBondContact O-N 2.81Å; M147-L150 PolarHBondContact O-N 2.97Å; L150-S152 PolarHBondContact O-N 2.99Å |
| 151 | N | 79.8 | Confident | 79 | Confident | 112 Ų | 112 | 105.4 Ų | 105.4 | 60% | 0.599 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 32.8 | 172.1 | -64.8 | -67.3 | 0 | 0 | 0 | 112.8 | M147 K148 | M147-N151 WeakPolarHBondContact O-CB 3.37Å; M147-N151 PolarHBondContact O-N 2.9Å; M147-N151 PolarHBondContact O-ND2 3.38Å; K148-N151 CarbonylContact O-C 3.59Å; K148-N151 PolarHBondContact O-N 3.42Å |
| 152 | S | 62.5 | Low | 78.3 | Confident | 43 Ų | 43 | 104.2 Ų | 104.2 | 30% | 0.301 | 53% | 0.533 | S | S | . | . | trans | -52.2 | 154.2 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | K148 S149 L150 Q154 | K148-S152 PolarHBondContact O-N 2.95Å; S149-S152 VanDerWaalsContact O-CB 3.24Å; S149-S152 WeakPolarHBondContact O-CB 3.48Å; S149-S152 PolarHBondContact O-N 2.94Å; L150-S152 PolarHBondContact O-N 2.99Å; S152-Q154 PolarHBondContact O-N 3.11Å; S152-Q154 PolarHBondContact OG-OE1 2.73Å | ||
| 153 | P | 57.7 | Low | 77.6 | Confident | 72 Ų | 72 | 103.7 Ų | 103.7 | 47% | 0.468 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -5.2 | -172.3 | -29.2 | 36 | 0 | 0 | 0 | 117.8 | D155 C156 W157 | P153-D155 PolarHBondContact O-N 2.88Å; P153-D155 VanDerWaalsContact O-N 3.11Å; P153-C156 PolarHBondContact O-N 3.42Å; P153-C156 PolarHBondContact O-SG 3.09Å; P153-W157 VanDerWaalsContact CB-CD1 3.47Å; P153-W157 PolarHBondContact O-N 3.32Å |
| 154 | Q | 56.4 | Low | 77.2 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -42.8 | -41 | 170 | -97.2 | 77.2 | 13.9 | 0 | 0 | 112.6 | S152 Q158 | S152-Q154 PolarHBondContact O-N 3.11Å; S152-Q154 PolarHBondContact OG-OE1 2.73Å; Q154-Q158 WeakPolarHBondContact O-CB 3.41Å; Q154-Q158 WeakPolarHBondContact O-CG 3.2Å; Q154-Q158 PolarHBondContact O-N 3.39Å |
| 155 | D | 56 | Low | 77 | Confident | 114 Ų | 114 | 105.8 Ų | 105.8 | 61% | 0.61 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -76.1 | -29.8 | 179.8 | -71.1 | -29.1 | 0 | 0 | 0 | 113.8 | P153 M159 | P153-D155 PolarHBondContact O-N 2.88Å; P153-D155 VanDerWaalsContact O-N 3.11Å; D155-M159 PolarHBondContact O-N 3.42Å |
| 156 | C | 55.4 | Low | 76.9 | Confident | 77 Ų | 77 | 104.4 Ų | 104.4 | 52% | 0.52 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.4 | -39.6 | 174.8 | 93.8 | 0 | 0 | 0 | 0 | 111.7 | P153 E160 | P153-C156 PolarHBondContact O-N 3.42Å; P153-C156 PolarHBondContact O-SG 3.09Å; C156-E160 PolarHBondContact O-N 3.1Å |
| 157 | W | 59 | Low | 76.8 | Confident | 156 Ų | 156 | 105.9 Ų | 105.9 | 59% | 0.591 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.2 | -28.6 | 175.7 | -66.9 | 112.6 | 0 | 0 | 0 | 112.4 | P153 E160 R161 | P153-W157 VanDerWaalsContact CB-CD1 3.47Å; P153-W157 PolarHBondContact O-N 3.32Å; W157-E160 VanDerWaalsContact CE3-OE2 3.24Å; W157-E160 VanDerWaalsContact CZ3-OE2 3.25Å; W157-E160 WeakPolarHBondContact CZ3-OE2 3.38Å; W157-R161 WeakPolarHBondContact O-CB 3.38Å; W157-R161 PolarHBondContact O-N 3.04Å |
| 158 | Q | 68.3 | Low | 76.9 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 174.5 | -85.3 | -73.9 | 74.6 | 0 | 0 | 111.8 | Q154 R161 V162 | Q154-Q158 WeakPolarHBondContact O-CB 3.41Å; Q154-Q158 WeakPolarHBondContact O-CG 3.2Å; Q154-Q158 PolarHBondContact O-N 3.39Å; Q158-R161 PolarHBondContact O-N 3.39Å; Q158-V162 VanDerWaalsContact O-CG2 3.3Å; Q158-V162 WeakPolarHBondContact O-CG2 3.34Å; Q158-V162 PolarHBondContact O-N 3.45Å |
| 159 | M | 70.4 | Confident | 77.1 | Confident | 153 Ų | 153 | 105.1 Ų | 105.1 | 75% | 0.754 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.6 | -42.4 | 177.7 | -163.9 | 156.8 | -161.2 | 0 | 0 | 111.8 | D155 R161 V162 D163 | D155-M159 PolarHBondContact O-N 3.42Å; M159-R161 VanDerWaalsContact C-N 3.35Å; M159-R161 PolarHBondContact O-N 2.96Å; M159-V162 PolarHBondContact O-N 2.88Å; M159-D163 PolarHBondContact O-N 3.4Å |
| 160 | E | 74.6 | Confident | 77.4 | Confident | 102 Ų | 102 | 107.1 Ų | 107.1 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 174.9 | -168.5 | 171.9 | -166 | 0 | 0 | 112.3 | C156 W157 D163 T164 | C156-E160 PolarHBondContact O-N 3.1Å; W157-E160 VanDerWaalsContact CE3-OE2 3.24Å; W157-E160 VanDerWaalsContact CZ3-OE2 3.25Å; W157-E160 WeakPolarHBondContact CZ3-OE2 3.38Å; E160-D163 PolarHBondContact O-N 3.2Å; E160-T164 WeakPolarHBondContact O-CB 3.36Å; E160-T164 VanDerWaalsContact O-CG2 3.31Å; E160-T164 WeakPolarHBondContact O-CG2 3.34Å; E160-T164 PolarHBondContact O-N 3.34Å; E160-T164 PolarHBondContact O-OG1 3.09Å |
| 161 | R | 79.4 | Confident | 77.9 | Confident | 137 Ų | 137 | 105.5 Ų | 105.5 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 171.4 | -118.6 | -163.3 | -54.4 | -138.6 | -3.2 | 112.2 | W157 Q158 M159 D163 T164 E165 | W157-R161 WeakPolarHBondContact O-CB 3.38Å; W157-R161 PolarHBondContact O-N 3.04Å; Q158-R161 PolarHBondContact O-N 3.39Å; M159-R161 VanDerWaalsContact C-N 3.35Å; M159-R161 PolarHBondContact O-N 2.96Å; R161-D163 VanDerWaalsContact C-N 3.31Å; R161-D163 PolarHBondContact O-N 3.48Å; R161-T164 WeakPolarHBondContact CA-OG1 3.33Å; R161-T164 PolarHBondContact O-N 2.87Å; R161-T164 PolarHBondContact O-OG1 2.85Å; R161-E165 VanDerWaalsContact O-CB 3.25Å; R161-E165 WeakPolarHBondContact O-CB 3.38Å; R161-E165 PolarHBondContact O-N 3.45Å |
| 162 | V | 83.3 | Confident | 78.6 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 61% | 0.606 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -36.9 | -178.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | Q158 M159 L166 | Q158-V162 VanDerWaalsContact O-CG2 3.3Å; Q158-V162 WeakPolarHBondContact O-CG2 3.34Å; Q158-V162 PolarHBondContact O-N 3.45Å; M159-V162 PolarHBondContact O-N 2.88Å; V162-L166 WeakPolarHBondContact O-CB 3.48Å; V162-L166 PolarHBondContact O-N 3.41Å |
| 163 | D | 84 | Confident | 80.2 | Confident | 112 Ų | 112 | 108.6 Ų | 108.6 | 60% | 0.599 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.6 | -44.5 | 176.7 | -162.2 | 40.6 | 0 | 0 | 0 | 112 | M159 E160 R161 L166 Q167 | M159-D163 PolarHBondContact O-N 3.4Å; E160-D163 PolarHBondContact O-N 3.2Å; R161-D163 VanDerWaalsContact C-N 3.31Å; R161-D163 PolarHBondContact O-N 3.48Å; D163-L166 PolarHBondContact O-N 2.86Å; D163-Q167 PolarHBondContact O-N 3.27Å |
| 164 | T | 87.9 | Confident | 82 | Confident | 71 Ų | 71 | 108.2 Ų | 108.2 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 174.8 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | E160 R161 Q167 I168 | E160-T164 WeakPolarHBondContact O-CB 3.36Å; E160-T164 VanDerWaalsContact O-CG2 3.31Å; E160-T164 WeakPolarHBondContact O-CG2 3.34Å; E160-T164 PolarHBondContact O-N 3.34Å; E160-T164 PolarHBondContact O-OG1 3.09Å; R161-T164 WeakPolarHBondContact CA-OG1 3.33Å; R161-T164 PolarHBondContact O-N 2.87Å; R161-T164 PolarHBondContact O-OG1 2.85Å; T164-Q167 PolarHBondContact O-N 2.91Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 3.45Å |
| 165 | E | 92 | Very high | 83.8 | Confident | 97 Ų | 97 | 106.7 Ų | 106.7 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.9 | -163.6 | 81.8 | -141.6 | 0 | 0 | 111.8 | R161 I168 R169 | R161-E165 VanDerWaalsContact O-CB 3.25Å; R161-E165 WeakPolarHBondContact O-CB 3.38Å; R161-E165 PolarHBondContact O-N 3.45Å; E165-I168 PolarHBondContact O-N 3.25Å; E165-R169 PolarHBondContact O-N 3.1Å |
| 166 | L | 93.6 | Very high | 85.7 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.2 | -178.2 | 66.5 | 0 | 0 | 0 | 111.4 | V162 D163 I168 R169 K170 | V162-L166 WeakPolarHBondContact O-CB 3.48Å; V162-L166 PolarHBondContact O-N 3.41Å; D163-L166 PolarHBondContact O-N 2.86Å; L166-I168 VanDerWaalsContact C-N 3.33Å; L166-I168 PolarHBondContact O-N 3.44Å; L166-R169 PolarHBondContact O-N 2.87Å; L166-K170 PolarHBondContact O-N 3Å |
| 167 | Q | 95.3 | Very high | 87.7 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.6 | -171.9 | 68.9 | 10.8 | 0 | 0 | 111.6 | D163 T164 K170 L171 | D163-Q167 PolarHBondContact O-N 3.27Å; T164-Q167 PolarHBondContact O-N 2.91Å; Q167-K170 PolarHBondContact O-N 3.2Å; Q167-L171 HydrophobicContact CG-CD1 4.33Å; Q167-L171 WeakPolarHBondContact O-CG 3.38Å; Q167-L171 PolarHBondContact O-N 2.95Å |
| 168 | I | 94.3 | Very high | 89.3 | Confident | 90 Ų | 90 | 105.9 Ų | 105.9 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 174.8 | -70.8 | 164.4 | 0 | 0 | 0 | 110.3 | T164 E165 L166 K170 L171 Q172 | T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 3.45Å; E165-I168 PolarHBondContact O-N 3.25Å; L166-I168 VanDerWaalsContact C-N 3.33Å; L166-I168 PolarHBondContact O-N 3.44Å; I168-K170 VanDerWaalsContact C-N 3.34Å; I168-K170 PolarHBondContact O-N 3.45Å; I168-L171 PolarHBondContact O-N 3.16Å; I168-Q172 WeakPolarHBondContact O-CB 3.27Å; I168-Q172 PolarHBondContact O-N 3.37Å |
| 169 | R | 94.6 | Very high | 90.4 | Very high | 142 Ų | 142 | 106.8 Ų | 106.8 | 54% | 0.536 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 178.7 | -68 | -155.7 | -149.5 | 101 | 7 | 112.6 | E165 L166 L171 Q172 E173 | E165-R169 PolarHBondContact O-N 3.1Å; L166-R169 PolarHBondContact O-N 2.87Å; R169-L171 PolarHBondContact O-N 2.94Å; R169-Q172 VanDerWaalsContact O-CB 3.31Å; R169-Q172 WeakPolarHBondContact O-CB 3.35Å; R169-Q172 PolarHBondContact O-N 3.2Å; R169-Q172 VanDerWaalsContact O-N 3.17Å; R169-E173 WeakPolarHBondContact O-CG 3.09Å; R169-E173 PolarHBondContact O-N 2.91Å |
| 170 | K | 96 | Very high | 91.5 | Very high | 118 Ų | 118 | 104.7 Ų | 104.7 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.7 | -175.6 | -178.1 | 176.9 | -175.8 | 0 | 111.8 | L166 Q167 I168 Q172 E173 D174 | L166-K170 PolarHBondContact O-N 3Å; Q167-K170 PolarHBondContact O-N 3.2Å; I168-K170 VanDerWaalsContact C-N 3.34Å; I168-K170 PolarHBondContact O-N 3.45Å; K170-Q172 VanDerWaalsContact C-N 3.28Å; K170-Q172 PolarHBondContact O-N 2.91Å; K170-E173 PolarHBondContact O-N 2.93Å; K170-D174 PolarHBondContact O-N 3.22Å |
| 171 | L | 95.8 | Very high | 92.2 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 175.9 | -71.6 | 172.7 | 0 | 0 | 0 | 112 | Q167 I168 R169 D174 L175 | Q167-L171 HydrophobicContact CG-CD1 4.33Å; Q167-L171 WeakPolarHBondContact O-CG 3.38Å; Q167-L171 PolarHBondContact O-N 2.95Å; I168-L171 PolarHBondContact O-N 3.16Å; R169-L171 PolarHBondContact O-N 2.94Å; L171-D174 PolarHBondContact O-N 3.19Å; L171-L175 VanDerWaalsContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 PolarHBondContact O-N 3.5Å |
| 172 | Q | 94.8 | Very high | 92.6 | Very high | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 174.4 | -146.5 | 81 | 14 | 0 | 0 | 111.2 | I168 R169 K170 D174 L175 D176 | I168-Q172 WeakPolarHBondContact O-CB 3.27Å; I168-Q172 PolarHBondContact O-N 3.37Å; R169-Q172 VanDerWaalsContact O-CB 3.31Å; R169-Q172 WeakPolarHBondContact O-CB 3.35Å; R169-Q172 PolarHBondContact O-N 3.2Å; R169-Q172 VanDerWaalsContact O-N 3.17Å; K170-Q172 VanDerWaalsContact C-N 3.28Å; K170-Q172 PolarHBondContact O-N 2.91Å; Q172-D174 PolarHBondContact O-N 2.89Å; Q172-L175 PolarHBondContact O-N 2.86Å; Q172-D176 PolarHBondContact O-N 3.28Å |
| 173 | E | 95.6 | Very high | 92.9 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.8 | -72.2 | 173.3 | -168.7 | 0 | 0 | 112.3 | R169 K170 R177 | R169-E173 WeakPolarHBondContact O-CG 3.09Å; R169-E173 PolarHBondContact O-N 2.91Å; K170-E173 PolarHBondContact O-N 2.93Å; E173-R177 WeakPolarHBondContact O-CB 3.5Å; E173-R177 PolarHBondContact O-N 2.88Å |
| 174 | D | 95.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 104.6 Ų | 104.6 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 176.3 | -74.6 | -20.4 | 0 | 0 | 0 | 111.4 | K170 L171 Q172 R177 V178 | K170-D174 PolarHBondContact O-N 3.22Å; L171-D174 PolarHBondContact O-N 3.19Å; Q172-D174 PolarHBondContact O-N 2.89Å; D174-R177 WeakPolarHBondContact O-CB 3.34Å; D174-R177 PolarHBondContact O-N 2.97Å; D174-R177 IonicContact OD1-NE 3.93Å; D174-V178 VanDerWaalsContact O-CG2 3.32Å; D174-V178 WeakPolarHBondContact O-CG2 3.34Å; D174-V178 PolarHBondContact O-N 3.37Å |
| 175 | L | 95.3 | Very high | 93 | Very high | 92 Ų | 92 | 105.8 Ų | 105.8 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.1 | -175.7 | 65.5 | 0 | 0 | 0 | 111.5 | L171 Q172 R177 V178 M179 | L171-L175 VanDerWaalsContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 PolarHBondContact O-N 3.5Å; Q172-L175 PolarHBondContact O-N 2.86Å; L175-R177 VanDerWaalsContact C-N 3.28Å; L175-R177 PolarHBondContact O-N 3.31Å; L175-V178 PolarHBondContact O-N 2.92Å; L175-M179 HydrophobicContact CG-SD 4.45Å; L175-M179 WeakPolarHBondContact O-CB 3.3Å; L175-M179 WeakPolarHBondContact O-CG 3.45Å; L175-M179 PolarHBondContact O-N 3.44Å |
| 176 | D | 95.6 | Very high | 92.6 | Very high | 95 Ų | 95 | 106 Ų | 106 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.9 | -73.2 | -19.3 | 0 | 0 | 0 | 111.4 | Q172 M179 L180 | Q172-D176 PolarHBondContact O-N 3.28Å; D176-M179 PolarHBondContact O-N 3.32Å; D176-L180 WeakPolarHBondContact O-CB 3.38Å; D176-L180 PolarHBondContact O-N 3.35Å |
| 177 | R | 95.7 | Very high | 91.9 | Very high | 152 Ų | 152 | 107.3 Ų | 107.3 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -47.3 | 175.3 | -167.9 | -170.2 | -47.9 | -71.9 | -6.6 | 111.7 | E173 D174 L175 L180 E181 | E173-R177 WeakPolarHBondContact O-CB 3.5Å; E173-R177 PolarHBondContact O-N 2.88Å; D174-R177 WeakPolarHBondContact O-CB 3.34Å; D174-R177 PolarHBondContact O-N 2.97Å; D174-R177 IonicContact OD1-NE 3.93Å; L175-R177 VanDerWaalsContact C-N 3.28Å; L175-R177 PolarHBondContact O-N 3.31Å; R177-L180 PolarHBondContact O-N 3.46Å; R177-E181 PolarHBondContact O-N 3.47Å |
| 178 | V | 94.1 | Very high | 91 | Very high | 82 Ų | 82 | 110 Ų | 110 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.5 | 169 | 0 | 0 | 0 | 0 | 110.8 | D174 L175 L180 E181 N182 | D174-V178 VanDerWaalsContact O-CG2 3.32Å; D174-V178 WeakPolarHBondContact O-CG2 3.34Å; D174-V178 PolarHBondContact O-N 3.37Å; L175-V178 PolarHBondContact O-N 2.92Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 3Å; V178-E181 PolarHBondContact O-N 3.32Å; V178-N182 VanDerWaalsContact O-CB 3.26Å; V178-N182 WeakPolarHBondContact O-CB 3.22Å; V178-N182 PolarHBondContact O-N 2.86Å |
| 179 | M | 91.7 | Very high | 89.5 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175 | -80 | -174.8 | 51.1 | 0 | 0 | 111.9 | L175 D176 N182 S183 | L175-M179 HydrophobicContact CG-SD 4.45Å; L175-M179 WeakPolarHBondContact O-CB 3.3Å; L175-M179 WeakPolarHBondContact O-CG 3.45Å; L175-M179 PolarHBondContact O-N 3.44Å; D176-M179 PolarHBondContact O-N 3.32Å; M179-N182 PolarHBondContact O-N 3.18Å; M179-S183 WeakPolarHBondContact O-CB 3.43Å; M179-S183 PolarHBondContact O-N 3.44Å; M179-S183 PolarHBondContact O-OG 3.34Å |
| 180 | L | 92.9 | Very high | 87.7 | Confident | 110 Ų | 110 | 105.1 Ų | 105.1 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 176.2 | -167.5 | 74.9 | 0 | 0 | 0 | 111.5 | D176 R177 V178 S183 R184 | D176-L180 WeakPolarHBondContact O-CB 3.38Å; D176-L180 PolarHBondContact O-N 3.35Å; R177-L180 PolarHBondContact O-N 3.46Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 3Å; L180-S183 PolarHBondContact O-N 3.48Å; L180-R184 WeakPolarHBondContact O-CG 3.44Å; L180-R184 PolarHBondContact O-N 3.39Å |
| 181 | E | 89.9 | Confident | 85.7 | Confident | 115 Ų | 115 | 106.6 Ų | 106.6 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 175.7 | -171.7 | 176.5 | -175.1 | 0 | 0 | 111.8 | R177 V178 S183 R184 L185 | R177-E181 PolarHBondContact O-N 3.47Å; V178-E181 PolarHBondContact O-N 3.32Å; E181-S183 PolarHBondContact O-N 3.44Å; E181-R184 WeakPolarHBondContact O-CB 3.36Å; E181-R184 PolarHBondContact O-N 3.4Å; E181-L185 HydrophobicContact CG-CD1 4.24Å; E181-L185 WeakPolarHBondContact O-CB 3.26Å; E181-L185 WeakPolarHBondContact O-CG 3.49Å; E181-L185 PolarHBondContact O-N 2.95Å |
| 182 | N | 86.4 | Confident | 83.5 | Confident | 99 Ų | 99 | 108.6 Ų | 108.6 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.9 | -163.4 | -50.9 | 0 | 0 | 0 | 110.9 | V178 M179 R184 L185 L186 | V178-N182 VanDerWaalsContact O-CB 3.26Å; V178-N182 WeakPolarHBondContact O-CB 3.22Å; V178-N182 PolarHBondContact O-N 2.86Å; M179-N182 PolarHBondContact O-N 3.18Å; N182-R184 VanDerWaalsContact C-N 3.34Å; N182-R184 PolarHBondContact O-N 2.99Å; N182-L185 CarbonylContact O-C 3.52Å; N182-L185 PolarHBondContact O-N 2.88Å; N182-L186 VanDerWaalsContact O-CB 3.24Å; N182-L186 WeakPolarHBondContact O-CB 3.41Å; N182-L186 PolarHBondContact O-N 2.86Å |
| 183 | S | 89.6 | Confident | 81.1 | Confident | 61 Ų | 61 | 107.1 Ų | 107.1 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.7 | -56 | 0 | 0 | 0 | 0 | 111.7 | M179 L180 E181 L186 E187 | M179-S183 WeakPolarHBondContact O-CB 3.43Å; M179-S183 PolarHBondContact O-N 3.44Å; M179-S183 PolarHBondContact O-OG 3.34Å; L180-S183 PolarHBondContact O-N 3.48Å; E181-S183 PolarHBondContact O-N 3.44Å; S183-L186 PolarHBondContact O-N 2.93Å; S183-E187 WeakPolarHBondContact O-CG 3.18Å; S183-E187 PolarHBondContact O-N 3.5Å |
| 184 | R | 89.6 | Confident | 78.7 | Confident | 174 Ų | 174 | 110.8 Ų | 110.8 | 66% | 0.657 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 174.8 | -76.7 | 174.5 | 150.1 | -164.1 | -6.1 | 112.9 | L180 E181 N182 L186 R188 | L180-R184 WeakPolarHBondContact O-CG 3.44Å; L180-R184 PolarHBondContact O-N 3.39Å; E181-R184 WeakPolarHBondContact O-CB 3.36Å; E181-R184 PolarHBondContact O-N 3.4Å; N182-R184 VanDerWaalsContact C-N 3.34Å; N182-R184 PolarHBondContact O-N 2.99Å; R184-L186 VanDerWaalsContact C-N 3.32Å; R184-R188 WeakPolarHBondContact O-CB 3.42Å; R184-R188 PolarHBondContact O-N 3.46Å |
| 185 | L | 85.2 | Confident | 76.3 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.5 | -35.9 | 174.8 | -73.7 | 173.7 | 0 | 0 | 0 | 111.1 | E181 N182 R188 S189 | E181-L185 HydrophobicContact CG-CD1 4.24Å; E181-L185 WeakPolarHBondContact O-CB 3.26Å; E181-L185 WeakPolarHBondContact O-CG 3.49Å; E181-L185 PolarHBondContact O-N 2.95Å; N182-L185 CarbonylContact O-C 3.52Å; N182-L185 PolarHBondContact O-N 2.88Å; L185-R188 CarbonylContact O-C 3.58Å; L185-R188 PolarHBondContact O-N 3.45Å; L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.47Å; L185-S189 PolarHBondContact O-N 3.43Å; L185-S189 PolarHBondContact O-OG 3.36Å |
| 186 | L | 82.9 | Confident | 73.9 | Confident | 102 Ų | 102 | 113.5 Ų | 113.5 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67 | -46.8 | 176.6 | -168.4 | 72.4 | 0 | 0 | 0 | 110.2 | N182 S183 R184 R188 S189 T190 | N182-L186 VanDerWaalsContact O-CB 3.24Å; N182-L186 WeakPolarHBondContact O-CB 3.41Å; N182-L186 PolarHBondContact O-N 2.86Å; S183-L186 PolarHBondContact O-N 2.93Å; R184-L186 VanDerWaalsContact C-N 3.32Å; L186-R188 VanDerWaalsContact C-N 3.31Å; L186-R188 PolarHBondContact O-N 2.99Å; L186-S189 WeakPolarHBondContact CA-OG 3.29Å; L186-S189 CarbonylContact O-C 3.41Å; L186-S189 PolarHBondContact O-N 2.95Å; L186-S189 VanDerWaalsContact O-N 3.14Å; L186-S189 PolarHBondContact O-OG 3.08Å; L186-T190 WeakPolarHBondContact O-CB 3.36Å; L186-T190 PolarHBondContact O-N 3.25Å; L186-T190 PolarHBondContact O-OG1 2.89Å |
| 187 | E | 79.2 | Confident | 71.2 | Confident | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.603 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -54 | -49.2 | 171.7 | -76.3 | 176 | 173.5 | 0 | 0 | 110.5 | S183 S189 T190 E191 | S183-E187 WeakPolarHBondContact O-CG 3.18Å; S183-E187 PolarHBondContact O-N 3.5Å; E187-S189 PolarHBondContact O-N 2.91Å; E187-T190 PolarHBondContact O-N 3.03Å; E187-E191 VanDerWaalsContact O-CG 3.31Å; E187-E191 WeakPolarHBondContact O-CG 3.4Å; E187-E191 PolarHBondContact O-N 3.13Å |
| 188 | R | 76.8 | Confident | 68.5 | Low | 158 Ų | 158 | 113 Ų | 113 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.3 | -36.6 | 176.4 | -160.7 | 178.4 | -158.4 | -165.4 | 2.7 | 113.6 | R184 L185 L186 E191 E192 | R184-R188 WeakPolarHBondContact O-CB 3.42Å; R184-R188 PolarHBondContact O-N 3.46Å; L185-R188 CarbonylContact O-C 3.58Å; L185-R188 PolarHBondContact O-N 3.45Å; L186-R188 VanDerWaalsContact C-N 3.31Å; L186-R188 PolarHBondContact O-N 2.99Å; R188-E191 WeakPolarHBondContact O-CB 3.47Å; R188-E191 PolarHBondContact O-N 3.06Å; R188-E192 WeakPolarHBondContact O-CG 3.31Å; R188-E192 PolarHBondContact O-N 2.95Å |
| 189 | S | 62.4 | Low | 66.8 | Low | 40 Ų | 40 | 115.7 Ų | 115.7 | 28% | 0.28 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.4 | -24.8 | 176.8 | 77.5 | 0 | 0 | 0 | 0 | 112.2 | L185 L186 E187 E191 E192 S193 | L185-S189 VanDerWaalsContact O-CB 3.25Å; L185-S189 WeakPolarHBondContact O-CB 3.47Å; L185-S189 PolarHBondContact O-N 3.43Å; L185-S189 PolarHBondContact O-OG 3.36Å; L186-S189 WeakPolarHBondContact CA-OG 3.29Å; L186-S189 CarbonylContact O-C 3.41Å; L186-S189 PolarHBondContact O-N 2.95Å; L186-S189 VanDerWaalsContact O-N 3.14Å; L186-S189 PolarHBondContact O-OG 3.08Å; E187-S189 PolarHBondContact O-N 2.91Å; S189-E191 VanDerWaalsContact C-N 3.33Å; S189-E192 CarbonylContact O-C 3.59Å; S189-E192 PolarHBondContact O-N 3Å; S189-S193 WeakPolarHBondContact O-CA 3.46Å; S189-S193 WeakPolarHBondContact O-CB 3.47Å; S189-S193 PolarHBondContact O-N 3.14Å; S189-S193 PolarHBondContact O-OG 3.05Å |
| 190 | T | 56 | Low | 64.5 | Low | 90 Ų | 90 | 117.9 Ų | 117.9 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.9 | -32.5 | 173.9 | -43.5 | 0 | 0 | 0 | 0 | 109.1 | L186 E187 | L186-T190 WeakPolarHBondContact O-CB 3.36Å; L186-T190 PolarHBondContact O-N 3.25Å; L186-T190 PolarHBondContact O-OG1 2.89Å; E187-T190 PolarHBondContact O-N 3.03Å |
| 191 | E | 54.3 | Low | 62.5 | Low | 149 Ų | 149 | 119.5 Ų | 119.5 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.7 | -35.3 | 166.3 | -67.6 | 167.8 | 171.4 | 0 | 0 | 112.1 | E187 R188 S189 | E187-E191 VanDerWaalsContact O-CG 3.31Å; E187-E191 WeakPolarHBondContact O-CG 3.4Å; E187-E191 PolarHBondContact O-N 3.13Å; R188-E191 WeakPolarHBondContact O-CB 3.47Å; R188-E191 PolarHBondContact O-N 3.06Å; S189-E191 VanDerWaalsContact C-N 3.33Å |
| 192 | E | 49.5 | Very low | 60.3 | Low | 143 Ų | 143 | 121.3 Ų | 121.3 | 67% | 0.668 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -85.9 | -25.1 | 176.4 | -74.6 | 176.8 | 163.3 | 0 | 0 | 114.5 | R188 S189 G195 | R188-E192 WeakPolarHBondContact O-CG 3.31Å; R188-E192 PolarHBondContact O-N 2.95Å; S189-E192 CarbonylContact O-C 3.59Å; S189-E192 PolarHBondContact O-N 3Å; E192-G195 PolarHBondContact O-N 3.35Å |
| 193 | S | 45.4 | Very low | 58.6 | Low | 76 Ų | 76 | 125.1 Ų | 125.1 | 53% | 0.531 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.9 | 14.2 | -174.8 | -54.4 | 0 | 0 | 0 | 0 | 114.2 | S189 G195 | S189-S193 WeakPolarHBondContact O-CA 3.46Å; S189-S193 WeakPolarHBondContact O-CB 3.47Å; S189-S193 PolarHBondContact O-N 3.14Å; S189-S193 PolarHBondContact O-OG 3.05Å; S193-G195 PolarHBondContact O-N 3.36Å |
| 194 | Q | 44.9 | Very low | 56.6 | Low | 190 Ų | 190 | 128.4 Ų | 128.4 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -2.3 | 147.7 | -85.2 | -178.2 | -15.8 | 0 | 0 | 112.2 | ||
| 195 | G | 45.6 | Very low | 54.9 | Low | 46 Ų | 46 | 125.7 Ų | 125.7 | 47% | 0.474 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -115.8 | 100.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114 | E192 S193 | E192-G195 PolarHBondContact O-N 3.35Å; S193-G195 PolarHBondContact O-N 3.36Å |
| 196 | L | 44.8 | Very low | 53.3 | Low | 167 Ų | 167 | 128.2 Ų | 128.2 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | 89.3 | 131.8 | 150.8 | -50.3 | 174 | 0 | 0 | 0 | 119.9 | ||||
| 197 | N | 38.5 | Very low | 52.1 | Low | 168 Ų | 168 | 126.6 Ų | 126.6 | 90% | 0.898 | 72% | 0.715 | S | S | * | * | trans | -76.5 | 157 | -172.8 | -79.2 | -83.4 | 0 | 0 | 0 | 115.3 | ||||
| 198 | G | 39.8 | Very low | 51.1 | Low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | -69.8 | -160.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 199 | P | 56.8 | Low | 50.1 | Low | 137 Ų | 137 | 129 Ų | 129 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | cis | -147.6 | -177 | 42.7 | 40.5 | -18 | 0 | 0 | 0 | 118.8 | ||||
| 200 | D | 43.1 | Very low | 50.1 | Low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | -82 | 151.6 | -176.4 | -178.9 | 28 | 0 | 0 | 0 | 115.3 | ||||
| 201 | L | 51.5 | Low | 50.7 | Low | 144 Ų | 144 | 128.7 Ų | 128.7 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | -152.1 | 115.1 | 179.7 | -99.8 | 161.5 | 0 | 0 | 0 | 109.7 | ||||
| 202 | N | 43.5 | Very low | 51.7 | Low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | 170.6 | 134 | 114.5 | -95.4 | -29.5 | 0 | 0 | 0 | 115.4 | |||||
| 203 | Q | 51 | Low | 53.1 | Low | 179 Ų | 179 | 130.2 Ų | 130.2 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | -128 | 114.4 | 170.3 | 178.3 | 178 | 95.3 | 0 | 0 | 106.1 | ||||
| 204 | T | 48.6 | Very low | 54.7 | Low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | trans | 160 | 111.2 | 151.8 | 29.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 205 | C | 52.3 | Low | 56.5 | Low | 117 Ų | 117 | 129.3 Ų | 129.3 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -174 | 16 | 151.2 | -99.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 206 | D | 53.4 | Low | 58.4 | Low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -84.5 | -12.3 | -166.2 | -84.2 | -43.6 | 0 | 0 | 0 | 118.7 | ||||
| 207 | G | 57 | Low | 60.3 | Low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -34.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 208 | K | 57.4 | Low | 62.7 | Low | 194 Ų | 194 | 128.2 Ų | 128.2 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -23.8 | -171 | -78.9 | 178.8 | 177.8 | 175.3 | 0 | 114.1 | ||
| 209 | H | 56.8 | Low | 65 | Low | 143 Ų | 143 | 128.7 Ų | 128.7 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71.3 | -38.5 | 179.2 | -81.2 | -61.1 | 0 | 0 | 0 | 112.4 | S211 R212 E213 | H209-S211 VanDerWaalsContact C-N 3.34Å; H209-S211 PolarHBondContact O-N 2.94Å; H209-R212 PolarHBondContact O-N 3.11Å; H209-E213 PolarHBondContact O-N 3.01Å |
| 210 | S | 61.8 | Low | 66.5 | Low | 47 Ų | 47 | 129.6 Ų | 129.6 | 33% | 0.329 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -64.5 | -29.6 | -175.5 | -171 | 0 | 0 | 0 | 0 | 114.7 | R214 | S210-R214 PolarHBondContact O-N 2.99Å; S210-R214 PolarHBondContact O-NE 2.9Å; S210-R214 VanDerWaalsContact O-NE 3.11Å; S210-R214 PolarHBondContact OG-NE 2.98Å; S210-R214 PolarHBondContact OG-NH2 2.92Å |
| 211 | S | 68.8 | Low | 68.8 | Low | 76 Ų | 76 | 124.7 Ų | 124.7 | 53% | 0.531 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -80.6 | -35.2 | -178.5 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | H209 N215 | H209-S211 VanDerWaalsContact C-N 3.34Å; H209-S211 PolarHBondContact O-N 2.94Å; S211-N215 PolarHBondContact O-N 2.94Å |
| 212 | R | 75.7 | Confident | 70.7 | Confident | 199 Ų | 199 | 120.6 Ų | 120.6 | 75% | 0.751 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.8 | -41.4 | 177.5 | -179.1 | 176.8 | 174.9 | -176.5 | -2.3 | 110.4 | H209 N215 V216 | H209-R212 PolarHBondContact O-N 3.11Å; R212-N215 PolarHBondContact O-N 3.29Å; R212-V216 WeakPolarHBondContact O-CG2 3.24Å; R212-V216 PolarHBondContact O-N 2.75Å; R212-V216 VanDerWaalsContact O-N 3.1Å |
| 213 | E | 77.6 | Confident | 73.1 | Confident | 126 Ų | 126 | 118.4 Ų | 118.4 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.7 | -46.4 | 177.1 | -168.8 | 168.5 | -154.3 | 0 | 0 | 111.7 | H209 N215 V216 Q217 | H209-E213 PolarHBondContact O-N 3.01Å; E213-N215 PolarHBondContact O-N 2.97Å; E213-V216 PolarHBondContact O-N 2.85Å; E213-Q217 WeakPolarHBondContact O-CB 3.39Å; E213-Q217 PolarHBondContact O-N 3.05Å |
| 214 | R | 79.6 | Confident | 75.1 | Confident | 150 Ų | 150 | 112.2 Ų | 112.2 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.9 | -38.9 | 175.5 | -85.8 | -179.7 | -91.3 | 142.2 | -11 | 114.1 | S210 Q217 Q218 | S210-R214 PolarHBondContact O-N 2.99Å; S210-R214 PolarHBondContact O-NE 2.9Å; S210-R214 VanDerWaalsContact O-NE 3.11Å; S210-R214 PolarHBondContact OG-NE 2.98Å; S210-R214 PolarHBondContact OG-NH2 2.92Å; R214-Q217 PolarHBondContact O-N 3.08Å; R214-Q218 WeakPolarHBondContact O-CB 3.49Å; R214-Q218 PolarHBondContact O-N 2.96Å |
| 215 | N | 83.9 | Confident | 77.2 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.5 | -41.8 | 178.3 | -168 | -54.5 | 0 | 0 | 0 | 111.6 | S211 R212 E213 Q217 Q218 T219 | S211-N215 PolarHBondContact O-N 2.94Å; R212-N215 PolarHBondContact O-N 3.29Å; E213-N215 PolarHBondContact O-N 2.97Å; N215-Q217 VanDerWaalsContact C-N 3.33Å; N215-Q217 PolarHBondContact O-N 3.27Å; N215-Q218 PolarHBondContact O-N 3.01Å; N215-T219 WeakPolarHBondContact O-CG2 3.08Å; N215-T219 PolarHBondContact O-N 3.49Å; N215-T219 PolarHBondContact O-OG1 2.79Å; N215-T219 VanDerWaalsContact O-OG1 3.04Å |
| 216 | V | 84.1 | Confident | 79.2 | Confident | 88 Ų | 88 | 109 Ų | 109 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -40.1 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 111 | R212 E213 Q218 T219 Y220 | R212-V216 WeakPolarHBondContact O-CG2 3.24Å; R212-V216 PolarHBondContact O-N 2.75Å; R212-V216 VanDerWaalsContact O-N 3.1Å; E213-V216 PolarHBondContact O-N 2.85Å; V216-Q218 PolarHBondContact O-N 2.97Å; V216-T219 WeakPolarHBondContact CA-OG1 3.39Å; V216-T219 PolarHBondContact O-N 2.83Å; V216-T219 PolarHBondContact O-OG1 3.18Å; V216-Y220 WeakPolarHBondContact O-CB 3.34Å; V216-Y220 PolarHBondContact O-N 3.05Å |
| 217 | Q | 84.9 | Confident | 81.1 | Confident | 129 Ų | 129 | 105.1 Ų | 105.1 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.2 | -37.8 | 176.9 | -130.4 | 159.2 | 13.9 | 0 | 0 | 112.4 | E213 R214 N215 A221 | E213-Q217 WeakPolarHBondContact O-CB 3.39Å; E213-Q217 PolarHBondContact O-N 3.05Å; R214-Q217 PolarHBondContact O-N 3.08Å; N215-Q217 VanDerWaalsContact C-N 3.33Å; N215-Q217 PolarHBondContact O-N 3.27Å; Q217-A221 WeakPolarHBondContact O-CB 3.35Å; Q217-A221 PolarHBondContact O-N 3.38Å |
| 218 | Q | 89 | Confident | 82.8 | Confident | 141 Ų | 141 | 106 Ų | 106 | 66% | 0.659 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.3 | -41.2 | 176.7 | -172.6 | 174.2 | 17.5 | 0 | 0 | 112.5 | R214 N215 V216 A221 A222 | R214-Q218 WeakPolarHBondContact O-CB 3.49Å; R214-Q218 PolarHBondContact O-N 2.96Å; N215-Q218 PolarHBondContact O-N 3.01Å; V216-Q218 PolarHBondContact O-N 2.97Å; Q218-A221 PolarHBondContact O-N 2.8Å; Q218-A222 PolarHBondContact O-N 2.94Å |
| 219 | T | 87.4 | Confident | 84.6 | Confident | 80 Ų | 80 | 103.2 Ų | 103.2 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 176.3 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | N215 V216 A222 L223 | N215-T219 WeakPolarHBondContact O-CG2 3.08Å; N215-T219 PolarHBondContact O-N 3.49Å; N215-T219 PolarHBondContact O-OG1 2.79Å; N215-T219 VanDerWaalsContact O-OG1 3.04Å; V216-T219 WeakPolarHBondContact CA-OG1 3.39Å; V216-T219 PolarHBondContact O-N 2.83Å; V216-T219 PolarHBondContact O-OG1 3.18Å; T219-A222 PolarHBondContact O-N 3.28Å; T219-L223 WeakPolarHBondContact O-CB 3.37Å; T219-L223 PolarHBondContact O-N 2.97Å |
| 220 | Y | 89.1 | Confident | 86.5 | Confident | 156 Ų | 156 | 101.9 Ų | 101.9 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 171.6 | -178.4 | -100.1 | 0 | 0 | 0 | 111.8 | V216 A222 L223 C224 | V216-Y220 WeakPolarHBondContact O-CB 3.34Å; V216-Y220 PolarHBondContact O-N 3.05Å; Y220-A222 PolarHBondContact O-N 3.32Å; Y220-L223 PolarHBondContact O-N 2.88Å; Y220-C224 VanDerWaalsContact CE1-SG 3.59Å; Y220-C224 PolarHBondContact O-N 3.37Å; Y220-C224 PolarHBondContact O-SG 3.44Å; Y220-C224 VanDerWaalsContact O-SG 3.32Å |
| 221 | A | 91.7 | Very high | 88 | Confident | 53 Ų | 53 | 104 Ų | 104 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q217 Q218 L223 C224 C225 | Q217-A221 WeakPolarHBondContact O-CB 3.35Å; Q217-A221 PolarHBondContact O-N 3.38Å; Q218-A221 PolarHBondContact O-N 2.8Å; A221-L223 VanDerWaalsContact C-N 3.35Å; A221-L223 PolarHBondContact O-N 3.43Å; A221-C224 PolarHBondContact O-N 2.94Å; A221-C225 PolarHBondContact O-N 2.99Å; A221-C225 VanDerWaalsContact O-N 3.09Å; A221-C225 PolarHBondContact O-SG 2.84Å; A221-C225 VanDerWaalsContact O-SG 3.35Å |
| 222 | A | 91.8 | Very high | 89.2 | Confident | 59 Ų | 59 | 103.4 Ų | 103.4 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q218 T219 Y220 C225 E226 | Q218-A222 PolarHBondContact O-N 2.94Å; T219-A222 PolarHBondContact O-N 3.28Å; Y220-A222 PolarHBondContact O-N 3.32Å; A222-C225 PolarHBondContact O-N 3.11Å; A222-E226 PolarHBondContact O-N 3.48Å; A222-E226 VanDerWaalsContact O-N 3.07Å |
| 223 | L | 94.3 | Very high | 90.2 | Very high | 105 Ų | 105 | 97.9 Ų | 97.9 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.2 | -178.6 | 63.3 | 0 | 0 | 0 | 111.8 | T219 Y220 A221 C225 E226 V227 | T219-L223 WeakPolarHBondContact O-CB 3.37Å; T219-L223 PolarHBondContact O-N 2.97Å; Y220-L223 PolarHBondContact O-N 2.88Å; A221-L223 VanDerWaalsContact C-N 3.35Å; A221-L223 PolarHBondContact O-N 3.43Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 3.41Å; L223-E226 PolarHBondContact O-N 2.89Å; L223-V227 HydrophobicContact CD1-CG2 4.32Å; L223-V227 HydrophobicContact CG-CG2 4.44Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.34Å |
| 224 | C | 91.6 | Very high | 91 | Very high | 50 Ų | 50 | 97 Ų | 97 | 34% | 0.338 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 176.3 | -70 | 0 | 0 | 0 | 0 | 112.1 | Y220 A221 T228 | Y220-C224 VanDerWaalsContact CE1-SG 3.59Å; Y220-C224 PolarHBondContact O-N 3.37Å; Y220-C224 PolarHBondContact O-SG 3.44Å; Y220-C224 VanDerWaalsContact O-SG 3.32Å; A221-C224 PolarHBondContact O-N 2.94Å; C224-T228 WeakPolarHBondContact O-CB 3.38Å; C224-T228 PolarHBondContact O-N 2.84Å; C224-T228 PolarHBondContact O-OG1 2.84Å |
| 225 | C | 92.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 174.6 | -70 | 0 | 0 | 0 | 0 | 112 | A221 A222 L223 T228 R229 | A221-C225 PolarHBondContact O-N 2.99Å; A221-C225 VanDerWaalsContact O-N 3.09Å; A221-C225 PolarHBondContact O-SG 2.84Å; A221-C225 VanDerWaalsContact O-SG 3.35Å; A222-C225 PolarHBondContact O-N 3.11Å; L223-C225 VanDerWaalsContact C-N 3.3Å; L223-C225 PolarHBondContact O-N 3.41Å; C225-T228 PolarHBondContact O-N 3.4Å; C225-R229 WeakPolarHBondContact O-CB 3.5Å; C225-R229 PolarHBondContact O-N 3.32Å |
| 226 | E | 94.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 178.9 | -77.9 | -57.3 | 132.4 | 0 | 0 | 113 | A222 L223 T228 R229 L230 | A222-E226 PolarHBondContact O-N 3.48Å; A222-E226 VanDerWaalsContact O-N 3.07Å; L223-E226 PolarHBondContact O-N 2.89Å; E226-T228 VanDerWaalsContact C-N 3.32Å; E226-T228 PolarHBondContact O-N 3.47Å; E226-R229 PolarHBondContact O-N 3Å; E226-R229 IonicContact OE1-NE 3.43Å; E226-R229 PolarHBondContact OE1-NE 3.25Å; E226-R229 IonicContact OE2-CZ 3.25Å; E226-R229 VanDerWaalsContact OE2-CZ 3.25Å; E226-R229 IonicContact OE2-NE 2.9Å; E226-R229 PolarHBondContact OE2-NE 3.09Å; E226-R229 IonicContact OE2-NH2 2.73Å; E226-R229 PolarHBondContact OE2-NH2 3.13Å; E226-L230 WeakPolarHBondContact O-CB 3.23Å; E226-L230 PolarHBondContact O-N 2.94Å |
| 227 | V | 92.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 101.3 Ų | 101.3 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L223 L230 Q231 | L223-V227 HydrophobicContact CD1-CG2 4.32Å; L223-V227 HydrophobicContact CG-CG2 4.44Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.34Å; V227-L230 PolarHBondContact O-N 3.02Å; V227-Q231 WeakPolarHBondContact O-CB 3.3Å; V227-Q231 VanDerWaalsContact O-CG 3.28Å; V227-Q231 WeakPolarHBondContact O-CG 3.37Å; V227-Q231 PolarHBondContact O-N 2.8Å |
| 228 | T | 93.3 | Very high | 93 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 55% | 0.546 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 177.6 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | C224 C225 E226 Q231 S232 | C224-T228 WeakPolarHBondContact O-CB 3.38Å; C224-T228 PolarHBondContact O-N 2.84Å; C224-T228 PolarHBondContact O-OG1 2.84Å; C225-T228 PolarHBondContact O-N 3.4Å; E226-T228 VanDerWaalsContact C-N 3.32Å; E226-T228 PolarHBondContact O-N 3.47Å; T228-Q231 PolarHBondContact O-N 2.76Å; T228-S232 PolarHBondContact O-N 2.88Å |
| 229 | R | 95.6 | Very high | 93.2 | Very high | 134 Ų | 134 | 93.5 Ų | 93.5 | 51% | 0.506 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 174.3 | -169 | -178.9 | 70.5 | 83.8 | 1.1 | 111.3 | C225 E226 Q231 S232 E233 | C225-R229 WeakPolarHBondContact O-CB 3.5Å; C225-R229 PolarHBondContact O-N 3.32Å; E226-R229 PolarHBondContact O-N 3Å; E226-R229 IonicContact OE1-NE 3.43Å; E226-R229 PolarHBondContact OE1-NE 3.25Å; E226-R229 IonicContact OE2-CZ 3.25Å; E226-R229 VanDerWaalsContact OE2-CZ 3.25Å; E226-R229 IonicContact OE2-NE 2.9Å; E226-R229 PolarHBondContact OE2-NE 3.09Å; E226-R229 IonicContact OE2-NH2 2.73Å; E226-R229 PolarHBondContact OE2-NH2 3.13Å; R229-Q231 VanDerWaalsContact C-N 3.34Å; R229-Q231 PolarHBondContact O-N 3.38Å; R229-S232 PolarHBondContact O-N 3.33Å; R229-S232 VanDerWaalsContact O-N 3.11Å; R229-S232 PolarHBondContact O-OG 3.21Å; R229-E233 PolarHBondContact O-N 3.35Å |
| 230 | L | 96.3 | Very high | 93.5 | Very high | 115 Ų | 115 | 94.4 Ų | 94.4 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 178 | -176.4 | 65 | 0 | 0 | 0 | 112.1 | E226 V227 S232 E233 M234 | E226-L230 WeakPolarHBondContact O-CB 3.23Å; E226-L230 PolarHBondContact O-N 2.94Å; V227-L230 PolarHBondContact O-N 3.02Å; L230-S232 VanDerWaalsContact C-N 3.29Å; L230-S232 PolarHBondContact O-N 3.47Å; L230-E233 PolarHBondContact O-N 3.03Å; L230-M234 WeakPolarHBondContact O-CB 3.43Å; L230-M234 PolarHBondContact O-N 3.12Å |
| 231 | Q | 93.3 | Very high | 93.5 | Very high | 93 Ų | 93 | 90.8 Ų | 90.8 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 175.6 | -74.6 | 176.9 | 2.8 | 0 | 0 | 112.1 | V227 T228 R229 R235 | V227-Q231 WeakPolarHBondContact O-CB 3.3Å; V227-Q231 VanDerWaalsContact O-CG 3.28Å; V227-Q231 WeakPolarHBondContact O-CG 3.37Å; V227-Q231 PolarHBondContact O-N 2.8Å; T228-Q231 PolarHBondContact O-N 2.76Å; R229-Q231 VanDerWaalsContact C-N 3.34Å; R229-Q231 PolarHBondContact O-N 3.38Å; Q231-R235 VanDerWaalsContact O-CG 3.29Å; Q231-R235 WeakPolarHBondContact O-CG 3.42Å; Q231-R235 PolarHBondContact O-N 2.89Å; Q231-R235 VanDerWaalsContact O-N 3.1Å |
| 232 | S | 94.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 95.6 Ų | 95.6 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 176.2 | 75.2 | 0 | 0 | 0 | 0 | 112.4 | T228 R229 L230 R235 L236 | T228-S232 PolarHBondContact O-N 2.88Å; R229-S232 PolarHBondContact O-N 3.33Å; R229-S232 VanDerWaalsContact O-N 3.11Å; R229-S232 PolarHBondContact O-OG 3.21Å; L230-S232 VanDerWaalsContact C-N 3.29Å; L230-S232 PolarHBondContact O-N 3.47Å; S232-R235 PolarHBondContact O-N 2.76Å; S232-L236 PolarHBondContact O-N 2.99Å |
| 233 | E | 95.1 | Very high | 93.4 | Very high | 83 Ų | 83 | 100.1 Ų | 100.1 | 39% | 0.388 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 176.8 | -72.5 | -62.7 | 160.3 | 0 | 0 | 111.9 | R229 L230 R235 L236 Q237 | R229-E233 PolarHBondContact O-N 3.35Å; L230-E233 PolarHBondContact O-N 3.03Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.66Å; E233-L236 WeakPolarHBondContact O-CB 3.35Å; E233-L236 PolarHBondContact O-N 3.3Å; E233-L236 VanDerWaalsContact O-N 3.14Å; E233-Q237 WeakPolarHBondContact O-CB 3.33Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 3.27Å |
| 234 | M | 94.4 | Very high | 92.9 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 175.8 | -178 | 177.2 | 61.8 | 0 | 0 | 111.6 | L230 T238 | L230-M234 WeakPolarHBondContact O-CB 3.43Å; L230-M234 PolarHBondContact O-N 3.12Å; M234-T238 VanDerWaalsContact O-CB 3.31Å; M234-T238 WeakPolarHBondContact O-CB 3.39Å; M234-T238 PolarHBondContact O-N 2.67Å; M234-T238 PolarHBondContact O-OG1 2.87Å |
| 235 | R | 93.8 | Very high | 92.6 | Very high | 185 Ų | 185 | 104.8 Ų | 104.8 | 70% | 0.698 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 174.6 | -75.6 | 176.8 | -178.8 | -174.6 | 2.7 | 111.7 | Q231 S232 E233 T238 S239 | Q231-R235 VanDerWaalsContact O-CG 3.29Å; Q231-R235 WeakPolarHBondContact O-CG 3.42Å; Q231-R235 PolarHBondContact O-N 2.89Å; Q231-R235 VanDerWaalsContact O-N 3.1Å; S232-R235 PolarHBondContact O-N 2.76Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.66Å; R235-T238 PolarHBondContact O-N 2.83Å; R235-S239 WeakPolarHBondContact O-CB 3.4Å; R235-S239 PolarHBondContact O-N 3.4Å |
| 236 | L | 95.4 | Very high | 91.8 | Very high | 114 Ų | 114 | 104.5 Ų | 104.5 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -48 | 175.9 | -174 | 67 | 0 | 0 | 0 | 111.2 | S232 E233 T238 S239 L240 | S232-L236 PolarHBondContact O-N 2.99Å; E233-L236 WeakPolarHBondContact O-CB 3.35Å; E233-L236 PolarHBondContact O-N 3.3Å; E233-L236 VanDerWaalsContact O-N 3.14Å; L236-T238 PolarHBondContact O-N 3.11Å; L236-S239 WeakPolarHBondContact O-CB 3.24Å; L236-S239 PolarHBondContact O-N 2.85Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 PolarHBondContact O-N 2.93Å |
| 237 | Q | 93.9 | Very high | 90.5 | Very high | 126 Ų | 126 | 105 Ų | 105 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -44.9 | 175.8 | -74.2 | -177.5 | -7.8 | 0 | 0 | 111.8 | E233 S239 L240 V241 | E233-Q237 WeakPolarHBondContact O-CB 3.33Å; E233-Q237 WeakPolarHBondContact O-CG 3.47Å; E233-Q237 PolarHBondContact O-N 3.27Å; Q237-S239 VanDerWaalsContact C-N 3.29Å; Q237-S239 PolarHBondContact O-N 2.91Å; Q237-L240 PolarHBondContact O-N 3.43Å; Q237-V241 VanDerWaalsContact O-CG2 3.32Å; Q237-V241 WeakPolarHBondContact O-CG2 3.22Å; Q237-V241 PolarHBondContact O-N 3.19Å |
| 238 | T | 92.9 | Very high | 89.1 | Confident | 67 Ų | 67 | 107.1 Ų | 107.1 | 41% | 0.411 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 177.2 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | M234 R235 L236 R242 | M234-T238 VanDerWaalsContact O-CB 3.31Å; M234-T238 WeakPolarHBondContact O-CB 3.39Å; M234-T238 PolarHBondContact O-N 2.67Å; M234-T238 PolarHBondContact O-OG1 2.87Å; R235-T238 PolarHBondContact O-N 2.83Å; L236-T238 PolarHBondContact O-N 3.11Å; T238-R242 WeakPolarHBondContact O-CB 3.17Å; T238-R242 PolarHBondContact O-N 3.39Å |
| 239 | S | 91.8 | Very high | 87.5 | Confident | 38 Ų | 38 | 105 Ų | 105 | 27% | 0.266 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.2 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | R235 L236 Q237 R242 K243 | R235-S239 WeakPolarHBondContact O-CB 3.4Å; R235-S239 PolarHBondContact O-N 3.4Å; L236-S239 WeakPolarHBondContact O-CB 3.24Å; L236-S239 PolarHBondContact O-N 2.85Å; Q237-S239 VanDerWaalsContact C-N 3.29Å; Q237-S239 PolarHBondContact O-N 2.91Å; S239-R242 PolarHBondContact O-N 3.38Å; S239-K243 WeakPolarHBondContact O-CG 3.22Å; S239-K243 PolarHBondContact O-N 2.83Å |
| 240 | L | 93.8 | Very high | 85.6 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.7 | -175.4 | 65.3 | 0 | 0 | 0 | 111.5 | L236 Q237 R242 K243 L244 | L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 PolarHBondContact O-N 2.93Å; Q237-L240 PolarHBondContact O-N 3.43Å; L240-R242 VanDerWaalsContact C-N 3.32Å; L240-R242 PolarHBondContact O-N 3.24Å; L240-K243 PolarHBondContact O-N 3.32Å; L240-K243 VanDerWaalsContact O-N 3.1Å; L240-L244 HydrophobicContact CD1-CD1 4.14Å; L240-L244 HydrophobicContact CD1-CG 4.32Å; L240-L244 HydrophobicContact CG-CD1 3.92Å; L240-L244 HydrophobicContact CG-CG 4.43Å; L240-L244 WeakPolarHBondContact O-CG 3.04Å; L240-L244 PolarHBondContact O-N 3.27Å |
| 241 | V | 90.4 | Very high | 83.4 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.485 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | Q237 K243 L244 R245 | Q237-V241 VanDerWaalsContact O-CG2 3.32Å; Q237-V241 WeakPolarHBondContact O-CG2 3.22Å; Q237-V241 PolarHBondContact O-N 3.19Å; V241-K243 VanDerWaalsContact C-N 3.33Å; V241-K243 PolarHBondContact O-N 3.4Å; V241-L244 PolarHBondContact O-N 3.41Å; V241-R245 VanDerWaalsContact O-CB 3.31Å; V241-R245 WeakPolarHBondContact O-CB 3.27Å; V241-R245 PolarHBondContact O-N 2.94Å |
| 242 | R | 90 | Very high | 81.4 | Confident | 153 Ų | 153 | 110 Ų | 110 | 58% | 0.577 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -37.5 | 174 | -98.4 | -178 | -77.6 | 114.8 | -3 | 112.8 | T238 S239 L240 P246 | T238-R242 WeakPolarHBondContact O-CB 3.17Å; T238-R242 PolarHBondContact O-N 3.39Å; S239-R242 PolarHBondContact O-N 3.38Å; L240-R242 VanDerWaalsContact C-N 3.32Å; L240-R242 PolarHBondContact O-N 3.24Å; R242-P246 VanDerWaalsContact O-CD 3.31Å; R242-P246 WeakPolarHBondContact O-CD 3.47Å |
| 243 | K | 90.9 | Very high | 79.1 | Confident | 154 Ų | 154 | 115.7 Ų | 115.7 | 67% | 0.67 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.3 | -34.3 | 176.8 | -73 | -178.7 | 178.9 | -172.3 | 0 | 113.3 | S239 L240 V241 P246 | S239-K243 WeakPolarHBondContact O-CG 3.22Å; S239-K243 PolarHBondContact O-N 2.83Å; L240-K243 PolarHBondContact O-N 3.32Å; L240-K243 VanDerWaalsContact O-N 3.1Å; V241-K243 VanDerWaalsContact C-N 3.33Å; V241-K243 PolarHBondContact O-N 3.4Å; K243-P246 WeakPolarHBondContact O-CD 3.36Å |
| 244 | L | 83.6 | Confident | 76.7 | Confident | 74 Ų | 74 | 116.2 Ų | 116.2 | 39% | 0.387 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -83.7 | -22.7 | 179.9 | -66.4 | 175.5 | 0 | 0 | 0 | 113.2 | L240 V241 L247 I248 | L240-L244 HydrophobicContact CD1-CD1 4.14Å; L240-L244 HydrophobicContact CD1-CG 4.32Å; L240-L244 HydrophobicContact CG-CD1 3.92Å; L240-L244 HydrophobicContact CG-CG 4.43Å; L240-L244 WeakPolarHBondContact O-CG 3.04Å; L240-L244 PolarHBondContact O-N 3.27Å; V241-L244 PolarHBondContact O-N 3.41Å; L244-L247 HydrophobicContact CD2-CD2 4.4Å; L244-L247 WeakPolarHBondContact O-CB 3.36Å; L244-L247 PolarHBondContact O-N 2.83Å; L244-I248 HydrophobicContact CB-CD1 4.43Å; L244-I248 WeakPolarHBondContact O-CG1 3.4Å; L244-I248 PolarHBondContact O-N 2.9Å; L244-I248 VanDerWaalsContact O-N 3.13Å |
| 245 | R | 84.3 | Confident | 74.4 | Confident | 179 Ų | 179 | 115 Ų | 115 | 68% | 0.675 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -54.9 | -42.1 | -179 | -179.8 | 178.8 | -63.6 | -139.5 | -1.9 | 114.2 | V241 G249 | V241-R245 VanDerWaalsContact O-CB 3.31Å; V241-R245 WeakPolarHBondContact O-CB 3.27Å; V241-R245 PolarHBondContact O-N 2.94Å; R245-G249 PolarHBondContact O-N 3.11Å |
| 246 | P | 76.9 | Confident | 71.6 | Confident | 79 Ų | 79 | 111.4 Ų | 111.4 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.9 | -39.6 | 173.8 | -21.6 | 34.2 | 0 | 0 | 0 | 112.9 | R242 K243 I248 G249 E250 | R242-P246 VanDerWaalsContact O-CD 3.31Å; R242-P246 WeakPolarHBondContact O-CD 3.47Å; K243-P246 WeakPolarHBondContact O-CD 3.36Å; P246-I248 VanDerWaalsContact C-N 3.29Å; P246-I248 PolarHBondContact O-N 2.99Å; P246-G249 PolarHBondContact O-N 2.9Å; P246-G249 VanDerWaalsContact O-N 3.09Å; P246-E250 PolarHBondContact O-N 3.45Å |
| 247 | L | 68.6 | Low | 68.9 | Low | 106 Ų | 106 | 112.4 Ų | 112.4 | 56% | 0.555 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.9 | -30.8 | -177.1 | -160.4 | 68.8 | 0 | 0 | 0 | 112.7 | L244 T251 | L244-L247 HydrophobicContact CD2-CD2 4.4Å; L244-L247 WeakPolarHBondContact O-CB 3.36Å; L244-L247 PolarHBondContact O-N 2.83Å; L247-T251 PolarHBondContact O-N 2.86Å; L247-T251 PolarHBondContact O-OG1 3.4Å |
| 248 | I | 62.8 | Low | 66.4 | Low | 111 Ų | 111 | 111.9 Ų | 111.9 | 57% | 0.569 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.2 | -28.9 | 175.5 | -62.3 | 165.3 | 0 | 0 | 0 | 111.7 | L244 P246 | L244-I248 HydrophobicContact CB-CD1 4.43Å; L244-I248 WeakPolarHBondContact O-CG1 3.4Å; L244-I248 PolarHBondContact O-N 2.9Å; L244-I248 VanDerWaalsContact O-N 3.13Å; P246-I248 VanDerWaalsContact C-N 3.29Å; P246-I248 PolarHBondContact O-N 2.99Å |
| 249 | G | 59.1 | Low | 64.3 | Low | 44 Ų | 44 | 114.5 Ų | 114.5 | 45% | 0.454 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.1 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R245 P246 R252 | R245-G249 PolarHBondContact O-N 3.11Å; P246-G249 PolarHBondContact O-N 2.9Å; P246-G249 VanDerWaalsContact O-N 3.09Å; G249-R252 PolarHBondContact O-N 3.21Å |
| 250 | E | 55.4 | Low | 62 | Low | 136 Ų | 136 | 119 Ų | 119 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.6 | -32.9 | 179.3 | -72.5 | 174.3 | 175.1 | 0 | 0 | 112.8 | P246 R252 Q253 | P246-E250 PolarHBondContact O-N 3.45Å; E250-R252 VanDerWaalsContact C-N 3.26Å; E250-R252 PolarHBondContact O-N 3.39Å; E250-Q253 PolarHBondContact O-N 3.47Å |
| 251 | T | 51.7 | Low | 59.6 | Low | 100 Ų | 100 | 123.2 Ų | 123.2 | 61% | 0.613 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.4 | -17.3 | 176.5 | 16.8 | 0 | 0 | 0 | 0 | 113.9 | L247 | L247-T251 PolarHBondContact O-N 2.86Å; L247-T251 PolarHBondContact O-OG1 3.4Å |
| 252 | R | 49.8 | Very low | 57.1 | Low | 210 Ų | 210 | 124.3 Ų | 124.3 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -14.1 | 174.5 | -95.5 | -165.3 | -177.7 | -141 | 3.2 | 114.5 | G249 E250 | G249-R252 PolarHBondContact O-N 3.21Å; E250-R252 VanDerWaalsContact C-N 3.26Å; E250-R252 PolarHBondContact O-N 3.39Å |
| 253 | Q | 46.9 | Very low | 54.8 | Low | 184 Ų | 184 | 124.2 Ų | 124.2 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -86.8 | -9.8 | 176.2 | -75.1 | -172.5 | -4 | 0 | 0 | 113.6 | E250 | E250-Q253 PolarHBondContact O-N 3.47Š|
| 254 | A | 44.7 | Very low | 52.4 | Low | 93 Ų | 93 | 124.8 Ų | 124.8 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -104 | -4.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 255 | A | 45 | Very low | 50.6 | Low | 83 Ų | 83 | 128.5 Ų | 128.5 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | trans | -148.6 | 94.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 256 | S | 36.2 | Very low | 48.5 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -149 | 83.7 | 164.8 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 257 | T | 39 | Very low | 46.5 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -116.6 | 120.6 | 150.1 | -51.6 | 0 | 0 | 0 | 0 | 105.5 | ||
| 258 | V | 41.8 | Very low | 45.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 83.8 | 126.5 | 176.4 | -164.1 | 0 | 0 | 0 | 0 | 116.6 | V260 | V258-V260 PolarHBondContact O-N 2.81Š|
| 259 | P | 47.9 | Very low | 43.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -80.5 | 120.6 | -177.9 | 31.3 | -31.1 | 0 | 0 | 0 | 111.5 | ||||
| 260 | V | 42.3 | Very low | 42.5 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -94.3 | 112 | 165.4 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | V258 | V258-V260 PolarHBondContact O-N 2.81Š| ||
| 261 | Q | 44.2 | Very low | 41.4 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -86.5 | 109 | 173.8 | -178.8 | 152.7 | 9.8 | 0 | 0 | 109.5 | ||||
| 262 | C | 37.7 | Very low | 40.7 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | -165.4 | 133.3 | 164.4 | -78.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 263 | L | 41.7 | Very low | 39.9 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | cis | -163.1 | 129 | -5.1 | -87.2 | 165.5 | 0 | 0 | 0 | 102.2 | ||||
| 264 | D | 40.9 | Very low | 39.9 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -152.9 | 89.3 | 159.9 | -122 | -46.2 | 0 | 0 | 0 | 107.5 | ||||
| 265 | D | 45.8 | Very low | 39.3 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -111.9 | 119.9 | 163.7 | -84 | -36.8 | 0 | 0 | 0 | 106.4 | ||||
| 266 | V | 39.3 | Very low | 38.7 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -162.2 | 121.2 | 133.8 | 160.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 267 | E | 36.4 | Very low | 38.4 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 89.8 | 94.2 | 147.4 | -160.8 | 168.5 | -137.6 | 0 | 0 | 119.8 | ||||
| 268 | K | 39.5 | Very low | 37.9 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | -167.6 | 150 | 103.5 | -127.7 | 167.1 | 179 | 171.4 | 0 | 114.2 | |||||
| 269 | N | 34.1 | Very low | 38.1 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 152.6 | -156.6 | -135.8 | -6.7 | 0 | 0 | 0 | 115.9 | ||||
| 270 | N | 31.6 | Very low | 37.5 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 63% | 0.631 | 79% | 0.789 | S | S | * | * | trans | 61.7 | 109.6 | 140.4 | -73.8 | -15 | 0 | 0 | 0 | 121.1 | ||||
| 271 | N | 33.1 | Very low | 37.5 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | 171.4 | 138.5 | 97.6 | -84.8 | -36.6 | 0 | 0 | 0 | 113.1 | |||||
| 272 | N | 35.9 | Very low | 37 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 88 | 91.8 | 153.6 | -56.3 | -28.2 | 0 | 0 | 0 | 121 | ||||
| 273 | L | 34.9 | Very low | 37.6 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | 54.9 | 129.1 | 128.4 | -79.6 | 149.5 | 0 | 0 | 0 | 121.5 | |||||
| 274 | P | 45.6 | Very low | 38 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -102.8 | 138.3 | 174.3 | 36.9 | -27.5 | 0 | 0 | 0 | 113.1 | ||||
| 275 | V | 33.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -141.6 | 104.4 | 166.4 | 177.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 276 | I | 31.8 | Very low | 37 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | 63.1 | 125.8 | 125.7 | -57.8 | -177.3 | 0 | 0 | 0 | 122.4 | |||||
| 277 | R | 29.7 | Very low | 37.1 | Very low | 241 Ų | 241 | 139.2 Ų | 139.2 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 85.8 | 133.1 | 142.8 | -88 | 168.3 | -174.6 | 163.4 | -0.1 | 123.6 | ||||
| 278 | A | 28.5 | Very low | 37.8 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -80.2 | -171.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 279 | P | 46.9 | Very low | 37.9 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | cis | -131.3 | 169.4 | -45.9 | 31.4 | -12.3 | 0 | 0 | 0 | 115.3 | ||||
| 280 | G | 34 | Very low | 38.6 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 102.9 | 162 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 281 | P | 43.7 | Very low | 38.5 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -133.6 | 175.9 | 1.4 | 38.8 | -18.4 | 0 | 0 | 0 | 116.6 | ||||
| 282 | R | 33.4 | Very low | 38.3 | Very low | 239 Ų | 239 | 131.4 Ų | 131.4 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -78.5 | -178.4 | 167.7 | -105 | -168.4 | -88.1 | -172.6 | -6.8 | 111.6 | ||||
| 283 | P | 48.6 | Very low | 38.2 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -136.6 | -149.7 | -0.5 | 37.2 | -11.3 | 0 | 0 | 0 | 111.8 | ||||
| 284 | P | 51.1 | Low | 38 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | cis | -143.7 | 171.6 | -0.6 | 43.5 | -22.5 | 0 | 0 | 0 | 120.2 | ||||
| 285 | S | 32.4 | Very low | 37.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 97 | 129 | 143.6 | -57.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 286 | A | 32.4 | Very low | 38.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 103.2 | 143.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 287 | P | 41.3 | Very low | 38.3 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | -108.5 | 168 | -122.6 | 40.1 | -36.9 | 0 | 0 | 0 | 116.4 | |||||
| 288 | P | 51.1 | Low | 38.9 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -106.7 | 149.3 | 173.8 | 37.9 | -27.8 | 0 | 0 | 0 | 113 | ||||
| 289 | V | 43.1 | Very low | 39.1 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | 178.7 | 159.8 | 153.1 | -87.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 290 | P | 47.6 | Very low | 38.5 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | -137.1 | 171.1 | -66.7 | 34 | -11.9 | 0 | 0 | 0 | 113.7 | |||||
| 291 | S | 31 | Very low | 38.3 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -76.5 | 139.5 | 170.8 | -160.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 292 | C | 29.2 | Very low | 37.6 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -98.8 | 114.7 | 179.3 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 293 | S | 33.4 | Very low | 38.7 | Very low | 129 Ų | 129 | 116.7 Ų | 116.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -152.8 | 121.2 | 155.9 | -87.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 294 | G | 30 | Very low | 38.9 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 157.4 | 94.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 295 | R | 39.2 | Very low | 38.1 | Very low | 202 Ų | 202 | 117.2 Ų | 117.2 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -73.1 | 161 | 166.7 | -150.3 | -177.4 | -156.3 | -100.7 | 1.9 | 109.9 | C297 | R295-C297 PolarHBondContact NH1-SG 3.39Š| ||
| 296 | P | 41.8 | Very low | 38 | Very low | 121 Ų | 121 | 115.2 Ų | 115.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | -137.8 | 153.3 | 116 | 17.7 | 3.3 | 0 | 0 | 0 | 114.4 | |||||
| 297 | C | 36.1 | Very low | 38.5 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | trans | -70 | 170.5 | 172.8 | -48.2 | 0 | 0 | 0 | 0 | 112.5 | R295 | R295-C297 PolarHBondContact NH1-SG 3.39Š| ||
| 298 | P | 43.3 | Very low | 38.6 | Very low | 135 Ų | 135 | 116.5 Ų | 116.5 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | -133.4 | 167.7 | 108.1 | 36.8 | -26.8 | 0 | 0 | 0 | 113.8 | |||||
| 299 | A | 32.3 | Very low | 38 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -115.6 | 166.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 300 | V | 33.5 | Very low | 38.1 | Very low | 155 Ų | 155 | 117 Ų | 117 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | 123.7 | 118.4 | 146.9 | -179.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 301 | G | 29.3 | Very low | 37.3 | Very low | 78 Ų | 78 | 118.8 Ų | 118.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 147 | 91.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 302 | G | 30.6 | Very low | 37.2 | Very low | 78 Ų | 78 | 117.9 Ų | 117.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -94.4 | -176.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 303 | P | 56.5 | Low | 37.6 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -110.1 | -167.1 | -142.7 | 43.8 | -35.4 | 0 | 0 | 0 | 114.9 | ||||
| 304 | P | 52.4 | Low | 37.6 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -161.1 | -178.7 | 89.5 | 40.5 | -18 | 0 | 0 | 0 | 119.5 | |||||
| 305 | A | 33.8 | Very low | 37.7 | Very low | 107 Ų | 107 | 126 Ų | 126 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | 94.4 | 127.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 306 | G | 30.4 | Very low | 37.6 | Very low | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | cis | 174.1 | -179 | 9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 307 | P | 43 | Very low | 37.2 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -113.2 | -160.4 | -133.8 | 43.6 | -34.9 | 0 | 0 | 0 | 115.9 | ||||
| 308 | P | 43.7 | Very low | 36.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -124.2 | 179.6 | -42.3 | 27.7 | -4.9 | 0 | 0 | 0 | 114.4 | ||||
| 309 | L | 37.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -44.8 | 162.3 | 170 | -96.6 | 154.8 | 0 | 0 | 0 | 116.6 | ||||
| 310 | P | 46.1 | Very low | 36.7 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | -154.8 | 168.5 | 65.1 | 40.7 | -18.1 | 0 | 0 | 0 | 120.4 | |||||
| 311 | D | 30.1 | Very low | 36.6 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 60.5 | 130.3 | 143.3 | -75.1 | -27 | 0 | 0 | 0 | 125.8 | ||||
| 312 | S | 29.6 | Very low | 37.2 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 85.5 | 100.9 | 143 | -148.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 313 | L | 38 | Very low | 37.6 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | -159.5 | 130.1 | 103.8 | -99.7 | 169.7 | 0 | 0 | 0 | 109.8 | |||||
| 314 | R | 31.8 | Very low | 36.8 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -125.5 | 142.2 | -166.7 | -169.2 | -157.2 | -88.2 | -88.6 | -1.5 | 105.8 | ||||
| 315 | E | 33 | Very low | 35.9 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 60% | 0.603 | 79% | 0.789 | S | S | * | * | trans | 65.4 | 141.7 | 170.1 | -76.6 | 111 | -148.6 | 0 | 0 | 115.9 | ||||
| 316 | D | 36.4 | Very low | 35.7 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | -144.8 | 144.8 | 53.3 | -83.8 | -57.1 | 0 | 0 | 0 | 115.9 | |||||
| 317 | C | 33.3 | Very low | 35.8 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 72% | 0.716 | 79% | 0.79 | S | S | * | * | trans | -73 | 150.9 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | Y319 | C317-Y319 PolarHBondContact O-N 3.49Š| ||
| 318 | W | 31.3 | Very low | 35.1 | Very low | 251 Ų | 251 | 147.2 Ų | 147.2 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | -59.5 | 107.9 | 164.5 | -68.3 | 89.3 | 0 | 0 | 0 | 110.2 | N320 | W318-N320 PolarHBondContact O-N 2.83Š| ||
| 319 | Y | 28 | Very low | 34.5 | Very low | 211 Ų | 211 | 148.4 Ų | 148.4 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -76.6 | 107.5 | 172.8 | -167.2 | -97.3 | 0 | 0 | 0 | 109.5 | C317 | C317-Y319 PolarHBondContact O-N 3.49Š| ||
| 320 | N | 42.1 | Very low | 34.2 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -83.3 | 102.7 | 159.9 | -76.3 | -57.8 | 0 | 0 | 0 | 107.7 | W318 | W318-N320 PolarHBondContact O-N 2.83Š| ||
| 321 | G | 32.5 | Very low | 33.5 | Very low | 43 Ų | 43 | 149.3 Ų | 149.3 | 44% | 0.443 | 78% | 0.784 | S | S | . | * | P | Polyproline II helix | trans | -86.5 | 149.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 322 | P | 42 | Very low | 33.6 | Very low | 119 Ų | 119 | 146 Ų | 146 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 142.5 | -172.2 | 32.8 | -33.9 | 0 | 0 | 0 | 112.9 | ||
| 323 | W | 38.2 | Very low | 33.7 | Very low | 241 Ų | 241 | 148.6 Ų | 148.6 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 136.1 | 169.4 | -65.3 | 85.4 | 0 | 0 | 0 | 110.5 | S325 | W323-S325 PolarHBondContact O-N 3.43Š|
| 324 | P | 39.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -79.9 | 108.5 | 170.6 | 28.9 | -27.7 | 0 | 0 | 0 | 110.2 | ||||
| 325 | S | 33.3 | Very low | 33.2 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -74.9 | 121.2 | 157.3 | -57 | 0 | 0 | 0 | 0 | 108.6 | W323 | W323-S325 PolarHBondContact O-N 3.43Š| ||
| 326 | Q | 30.6 | Very low | 32.9 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -131.6 | 115.5 | 164.2 | -158.8 | 156.3 | 29.5 | 0 | 0 | 110.2 | ||||
| 327 | S | 31.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -121 | 154.8 | 161.5 | -97.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 328 | C | 28.7 | Very low | 33.1 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 92.5 | 134.2 | 176.7 | -60.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 329 | L | 31.1 | Very low | 33.1 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | cis | -174 | 131.5 | -5.1 | -165.2 | 121.2 | 0 | 0 | 0 | 107.4 | ||||
| 330 | V | 31.9 | Very low | 33.5 | Very low | 104 Ų | 104 | 129 Ų | 129 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | trans | 43.9 | 129.5 | 140.6 | 178.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 331 | E | 31.9 | Very low | 33.2 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 66.7 | 140.4 | 152.7 | -75.8 | 164.9 | 179.7 | 0 | 0 | 119.5 | ||||
| 332 | A | 31.3 | Very low | 33.5 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | cis | -163.6 | 161.6 | 17.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 333 | L | 32.4 | Very low | 33.8 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 80.2 | 115.3 | 146.1 | -69.4 | 148.4 | 0 | 0 | 0 | 123.1 | ||||
| 334 | V | 31 | Very low | 34.1 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 68.9 | 119.4 | 129 | -177.7 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 335 | G | 27.4 | Very low | 34.6 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | 112.7 | 111.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 336 | S | 27.8 | Very low | 35 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 62.4 | 130.3 | 144.8 | -82 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 337 | E | 30.5 | Very low | 35.7 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 72.1 | 110.4 | 139.3 | -71.4 | -177.4 | 149.7 | 0 | 0 | 121.1 | ||||
| 338 | A | 41.5 | Very low | 36.2 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 41 | 91.9 | 134.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 339 | C | 32.6 | Very low | 36.8 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | trans | -122.3 | 107.6 | 154.7 | -87.7 | 0 | 0 | 0 | 0 | 109.5 | V341 | C339-V341 PolarHBondContact O-N 3.49Š| ||
| 340 | A | 35.5 | Very low | 37 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -62.8 | 120.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V342 | A340-V342 PolarHBondContact O-N 3.5Š| ||
| 341 | V | 36.2 | Very low | 37.2 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -74.7 | 105.6 | 168.1 | 175.1 | 0 | 0 | 0 | 0 | 107.6 | C339 L343 | C339-V341 PolarHBondContact O-N 3.49Å; V341-L343 PolarHBondContact O-N 2.78Å | ||
| 342 | V | 39.8 | Very low | 37.3 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -74.6 | 109.6 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 107.8 | A340 | A340-V342 PolarHBondContact O-N 3.5Š| ||
| 343 | L | 47.1 | Very low | 38.1 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 143 | 167.1 | -68.9 | 170 | 0 | 0 | 0 | 109.5 | V341 | V341-L343 PolarHBondContact O-N 2.78Š|
| 344 | P | 44.2 | Very low | 38.3 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148.1 | 173.5 | 29.6 | -31.7 | 0 | 0 | 0 | 110.4 | ||
| 345 | P | 50 | Low | 39 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 153.1 | -179.6 | 31.7 | -33.4 | 0 | 0 | 0 | 110.7 | ||
| 346 | P | 43.4 | Very low | 39.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 141.1 | 176.4 | 29.9 | -32.1 | 0 | 0 | 0 | 109.7 | L348 | P346-L348 PolarHBondContact O-N 2.89Š|
| 347 | P | 43.9 | Very low | 40.9 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.6 | 178.3 | 26.1 | -30.4 | 0 | 0 | 0 | 110.5 | ||
| 348 | L | 41.7 | Very low | 41.9 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 129.9 | 172.5 | -170.5 | 74.3 | 0 | 0 | 0 | 109.9 | P346 | P346-L348 PolarHBondContact O-N 2.89Š|
| 349 | N | 42.6 | Very low | 42.3 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 8 | 107.9 | 160.2 | -76.6 | -45.1 | 0 | 0 | 0 | 116.9 | ||||
| 350 | Q | 33.7 | Very low | 43.1 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -121 | 123.5 | 154.9 | -71.5 | -113.5 | -16.5 | 0 | 0 | 108.1 | ||||
| 351 | A | 36.9 | Very low | 43.9 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -63.4 | 127.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 352 | S | 34.1 | Very low | 44.7 | Very low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 79% | 0.791 | S | S | * | * | trans | -76.5 | 115.6 | 159.9 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | D354 | S352-D354 VanDerWaalsContact C-N 3.34Å; S352-D354 PolarHBondContact O-N 2.96Å; S352-D354 PolarHBondContact OG-OD2 2.93Å | ||
| 353 | L | 47.8 | Very low | 45.2 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -77.5 | 88.4 | 162.6 | -83.5 | 167.7 | 0 | 0 | 0 | 107.8 | D355 | L353-D355 PolarHBondContact O-N 3.17Š| ||
| 354 | D | 37.3 | Very low | 45.7 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | -78.5 | 96.6 | 166.6 | -76.3 | -72.4 | 0 | 0 | 0 | 109.6 | S352 S356 | S352-D354 VanDerWaalsContact C-N 3.34Å; S352-D354 PolarHBondContact O-N 2.96Å; S352-D354 PolarHBondContact OG-OD2 2.93Å; D354-S356 PolarHBondContact O-N 3.34Å | ||
| 355 | D | 45.3 | Very low | 46.3 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -73.4 | 73.7 | 161.5 | -173.5 | 31.3 | 0 | 0 | 0 | 109.3 | L353 | L353-D355 PolarHBondContact O-N 3.17Š| ||
| 356 | S | 45.7 | Very low | 46.6 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -152.7 | 53.9 | 167.3 | -85.5 | 0 | 0 | 0 | 0 | 110.6 | D354 R358 | D354-S356 PolarHBondContact O-N 3.34Å; S356-R358 VanDerWaalsContact C-N 3.31Å; S356-R358 PolarHBondContact O-N 2.81Å; S356-R358 VanDerWaalsContact O-N 3.11Å | ||
| 357 | S | 49.6 | Very low | 47.1 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 78.4 | 166.2 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 358 | R | 50.7 | Low | 47.5 | Very low | 233 Ų | 233 | 139 Ų | 139 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -126.6 | 69.3 | 158 | -70.4 | -171.2 | -176.4 | -98.6 | 0.3 | 109.2 | S356 F360 | S356-R358 VanDerWaalsContact C-N 3.31Å; S356-R358 PolarHBondContact O-N 2.81Å; S356-R358 VanDerWaalsContact O-N 3.11Å; R358-F360 PolarHBondContact O-N 3.18Å | ||
| 359 | S | 49.8 | Very low | 47.9 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 119 | 165.8 | -16.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 360 | F | 50.1 | Low | 48.4 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 137.3 | 166.5 | -77.9 | -90.6 | 0 | 0 | 0 | 109.2 | R358 | R358-F360 PolarHBondContact O-N 3.18Š|
| 361 | P | 51.7 | Low | 49.1 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 140.6 | 176.1 | 26.6 | -32.5 | 0 | 0 | 0 | 110 | ||
| 362 | S | 52.7 | Low | 49.7 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.2 | 173.2 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 363 | P | 51.5 | Low | 50.3 | Low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.5 | 178.7 | 24.2 | -31 | 0 | 0 | 0 | 110.4 | ||
| 364 | P | 56.5 | Low | 49.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.4 | -177.4 | 23.9 | -32 | 0 | 0 | 0 | 111 | ||
| 365 | K | 58.1 | Low | 50.1 | Low | 167 Ų | 167 | 141.2 Ų | 141.2 | 73% | 0.726 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143.3 | 176.5 | -72 | 174.9 | 180 | 171.6 | 0 | 109.7 | T367 D368 | K365-T367 PolarHBondContact O-N 2.94Å; K365-D368 PolarHBondContact O-N 3.41Å |
| 366 | P | 56.3 | Low | 49.7 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -5.3 | -173.2 | 23.6 | -32.9 | 0 | 0 | 0 | 115.2 | ||
| 367 | T | 53.4 | Low | 49.3 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.5 | -178.5 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | K365 | K365-T367 PolarHBondContact O-N 2.94Š|
| 368 | D | 51.3 | Low | 48.6 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -117.2 | 8.6 | -173.4 | -122.6 | -2.7 | 0 | 0 | 0 | 114.2 | K365 M370 | K365-D368 PolarHBondContact O-N 3.41Å; D368-M370 VanDerWaalsContact C-N 3.31Å; D368-M370 PolarHBondContact O-N 3.48Å | ||
| 369 | A | 51 | Low | 47.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -85 | 68.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F371 | A369-F371 PolarHBondContact O-N 3.19Š| ||
| 370 | M | 52.5 | Low | 47.2 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 16.1 | 173.2 | -67.3 | -73.1 | -115.5 | 0 | 0 | 113.6 | D368 | D368-M370 VanDerWaalsContact C-N 3.31Å; D368-M370 PolarHBondContact O-N 3.48Å |
| 371 | F | 49.5 | Very low | 46.5 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -10.3 | -170.6 | -172 | -107 | 0 | 0 | 0 | 114.3 | A369 | A369-F371 PolarHBondContact O-N 3.19Š|
| 372 | W | 48.3 | Very low | 45.9 | Very low | 216 Ų | 216 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -119.9 | 10.7 | -173.8 | -66.8 | 115.5 | 0 | 0 | 0 | 116.1 | G374 | W372-G374 VanDerWaalsContact C-N 3.29Å; W372-G374 PolarHBondContact O-N 3.49Å | ||
| 373 | E | 46.3 | Very low | 45 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -83.1 | 76.4 | -179.1 | -138.8 | 150.8 | -136 | 0 | 0 | 111.8 | ||||
| 374 | G | 40.3 | Very low | 44.2 | Very low | 62 Ų | 62 | 134.3 Ų | 134.3 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | trans | -62.5 | 128.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W372 S376 | W372-G374 VanDerWaalsContact C-N 3.29Å; W372-G374 PolarHBondContact O-N 3.49Å; G374-S376 PolarHBondContact O-N 2.79Å | ||
| 375 | H | 42.5 | Very low | 43.4 | Very low | 192 Ų | 192 | 137 Ų | 137 | 89% | 0.889 | 79% | 0.793 | S | S | * | * | trans | -58.4 | 122.6 | -176.3 | -62 | 17.4 | 0 | 0 | 0 | 111.3 | ||||
| 376 | S | 35.5 | Very low | 42.2 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -133 | 94.7 | 161.1 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | G374 G378 | G374-S376 PolarHBondContact O-N 2.79Å; S376-G378 PolarHBondContact O-N 2.79Å | ||
| 377 | N | 37.7 | Very low | 41.2 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -66.3 | 125.8 | 162.5 | -94.4 | 15.6 | 0 | 0 | 0 | 108.9 | ||||
| 378 | G | 35.4 | Very low | 40.3 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | 135.3 | 103.1 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | S376 | S376-G378 PolarHBondContact O-N 2.79Š| ||
| 379 | S | 33.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 100.1 | 95.7 | 141 | -47.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 380 | N | 37.7 | Very low | 39.5 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 31 | 119.1 | 132.4 | -66.9 | -3.2 | 0 | 0 | 0 | 119.4 | ||||
| 381 | S | 34.7 | Very low | 38.8 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | -166.9 | 142.2 | 108.8 | 16 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 382 | S | 39.7 | Very low | 38.6 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -77.3 | 149.8 | -174.1 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 383 | S | 34.4 | Very low | 38.5 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | 145.9 | 152.4 | 140.6 | 54.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 384 | S | 34 | Very low | 38.8 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | cis | -170.8 | 145.9 | -20.3 | 163.2 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 385 | L | 39.8 | Very low | 38.8 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 93% | 0.927 | 82% | 0.824 | S | S | * | * | trans | -50.9 | 150 | 178.4 | -78.9 | 78.2 | 0 | 0 | 0 | 113.4 | ||||
| 386 | G | 32.9 | Very low | 38.8 | Very low | 61 Ų | 61 | 130 Ų | 130 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | trans | -175.1 | 92 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 387 | N | 35.6 | Very low | 39.2 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -59.7 | 139.8 | 168.9 | -77 | -15 | 0 | 0 | 0 | 111.4 | ||||
| 388 | F | 33 | Very low | 39.4 | Very low | 209 Ų | 209 | 135 Ų | 135 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -119.6 | 122.2 | 165.2 | -81.2 | -83.1 | 0 | 0 | 0 | 110.6 | ||||
| 389 | T | 41.9 | Very low | 39.7 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -114.7 | 140.8 | 165.5 | -41.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 390 | P | 44.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 137.7 | -170 | 33.3 | -32.7 | 0 | 0 | 0 | 112.2 | ||
| 391 | M | 37.7 | Very low | 41 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 132.9 | 170.4 | -86.5 | -70.7 | -162.4 | 0 | 0 | 110.7 | ||
| 392 | S | 44.9 | Very low | 41.3 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 155.6 | 170.7 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 393 | P | 47.7 | Very low | 41.4 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 147.7 | 179.3 | 32.5 | -31.6 | 0 | 0 | 0 | 112.2 | ||
| 394 | P | 51.8 | Low | 41.8 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 139.8 | 176.9 | 34 | -29.8 | 0 | 0 | 0 | 111.9 | ||
| 395 | S | 41.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60 | 134.5 | 159.2 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 396 | A | 42.4 | Very low | 42.3 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | trans | -143.8 | 118.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 397 | E | 43.4 | Very low | 42.9 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 77% | 0.771 | 85% | 0.849 | S | S | * | * | trans | -89.7 | 138.7 | -177.7 | -93.5 | -162.4 | 141.2 | 0 | 0 | 111.4 | ||||
| 398 | W | 42.3 | Very low | 43.4 | Very low | 230 Ų | 230 | 155.6 Ų | 155.6 | 87% | 0.871 | 85% | 0.848 | S | S | * | * | trans | 60.8 | 117.6 | 146 | -58.6 | 54.6 | 0 | 0 | 0 | 120.6 | ||||
| 399 | A | 40.3 | Very low | 44.1 | Very low | 104 Ų | 104 | 151.8 Ų | 151.8 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | -170.6 | 112.6 | 129.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 400 | K | 43 | Very low | 44.3 | Very low | 204 Ų | 204 | 153.7 Ų | 153.7 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | trans | -83.8 | 164.1 | 141.4 | -84 | -175.8 | 178.9 | -177.6 | 0 | 107 | ||||
| 401 | P | 55.3 | Low | 44.3 | Very low | 106 Ų | 106 | 156.4 Ų | 156.4 | 69% | 0.688 | 85% | 0.853 | S | S | * | * | cis | -141.3 | 163.7 | 25.6 | 38.2 | -18.4 | 0 | 0 | 0 | 116.3 | ||||
| 402 | Y | 41.9 | Very low | 44.9 | Very low | 302 Ų | 302 | 153.4 Ų | 153.4 | 100% | 1.184 | 85% | 0.846 | S | S | * | * | -165 | 0 | 117.5 | -102.9 | -74.1 | 0 | 0 | 0 | 109.1 |
Retrieved 402 of 402 residues in 399.2 ms
(Link to these results)