| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.1 | Very low | 48.1 | Very low | 199 Ų | 199 | 164.5 Ų | 164.5 | 98% | 0.98 | 76% | 0.761 | S | S | * | * | 0 | -62.9 | 0 | -141.7 | 173.2 | -82.3 | 0 | 0 | 112 | L3 E4 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.16Å; M1-E4 WeakPolarHBondContact CA-OE2 3.34Å; M1-E4 PolarHBondContact N-OE2 2.94Å | |||
| 2 | R | 54 | Low | 47.1 | Very low | 225 Ų | 225 | 160.2 Ų | 160.2 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 10.2 | 174.9 | -79.9 | -172.2 | 176.7 | 155.5 | 1 | 116.4 | ||
| 3 | L | 48.1 | Very low | 45.8 | Very low | 135 Ų | 135 | 161.3 Ų | 161.3 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -29 | -176.7 | -87.4 | 161.9 | 0 | 0 | 0 | 113.2 | M1 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.16Å |
| 4 | E | 54.9 | Low | 45.3 | Very low | 119 Ų | 119 | 163.3 Ų | 163.3 | 56% | 0.556 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -39.2 | 178.6 | -70.6 | 61.1 | -133.5 | 0 | 0 | 112 | M1 K7 R8 | M1-E4 WeakPolarHBondContact CA-OE2 3.34Å; M1-E4 PolarHBondContact N-OE2 2.94Å; E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 2.72Å; E4-K7 VanDerWaalsContact O-N 3.16Å; E4-R8 PolarHBondContact O-N 2.88Å |
| 5 | E | 48 | Very low | 44.3 | Very low | 132 Ų | 132 | 164.9 Ų | 164.9 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -66.4 | -46.4 | -177.2 | -62 | 178.6 | 131.6 | 0 | 0 | 112.7 | K7 R8 L9 | E5-K7 PolarHBondContact O-N 2.92Å; E5-R8 PolarHBondContact O-N 3.33Å; E5-L9 PolarHBondContact O-N 3.5Å |
| 6 | L | 48.9 | Very low | 43.7 | Very low | 120 Ų | 120 | 163.1 Ų | 163.1 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -59.2 | -19.6 | 174.5 | -78.6 | 169.5 | 0 | 0 | 0 | 112.8 | ||
| 7 | K | 54.3 | Low | 42.9 | Very low | 179 Ų | 179 | 162.1 Ų | 162.1 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -88.5 | -11.4 | 177.2 | -141.5 | 177.2 | -174.8 | -177.4 | 0 | 113.9 | E4 E5 | E4-K7 WeakPolarHBondContact O-CB 3.49Å; E4-K7 PolarHBondContact O-N 2.72Å; E4-K7 VanDerWaalsContact O-N 3.16Å; E5-K7 PolarHBondContact O-N 2.92Å |
| 8 | R | 50.8 | Low | 42.4 | Very low | 231 Ų | 231 | 161.4 Ų | 161.4 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -25 | 169.4 | -60.7 | -170.2 | 84.1 | 143.3 | 1.7 | 112.6 | E4 E5 | E4-R8 PolarHBondContact O-N 2.88Å; E5-R8 PolarHBondContact O-N 3.33Å |
| 9 | L | 43.3 | Very low | 41.9 | Very low | 152 Ų | 152 | 156.8 Ų | 156.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -91.1 | 11.2 | -178.2 | -63.1 | 174.9 | 0 | 0 | 0 | 114.3 | E5 | E5-L9 PolarHBondContact O-N 3.5Š|
| 10 | Q | 40.1 | Very low | 41.8 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -130.8 | 83.5 | -177.1 | -174.9 | 167.4 | 88.8 | 0 | 0 | 112.2 | ||||
| 11 | N | 37.8 | Very low | 41.2 | Very low | 159 Ų | 159 | 162 Ų | 162 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -150.9 | 149.8 | 147.4 | -97.2 | -35.4 | 0 | 0 | 0 | 109.2 | ||||
| 12 | P | 36.2 | Very low | 40.4 | Very low | 113 Ų | 113 | 159.2 Ų | 159.2 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -99.4 | 157.9 | -145.6 | -5 | 26.2 | 0 | 0 | 0 | 114.6 | E14 | P12-E14 PolarHBondContact O-N 3.19Š| ||
| 13 | L | 29.5 | Very low | 39.6 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -66.4 | 126.9 | 152.8 | -71.3 | 82.5 | 0 | 0 | 0 | 108.4 | ||||
| 14 | E | 39.7 | Very low | 38.9 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -117.6 | 136.2 | 154 | -168.6 | 159.4 | -137.2 | 0 | 0 | 108.7 | P12 | P12-E14 PolarHBondContact O-N 3.19Š| ||
| 15 | Q | 29.7 | Very low | 37.9 | Very low | 187 Ų | 187 | 158.8 Ų | 158.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -106.8 | 101.8 | -160.8 | 178.9 | 173.4 | 75.3 | 0 | 0 | 109.8 | ||||
| 16 | V | 35.3 | Very low | 37.4 | Very low | 136 Ų | 136 | 158.9 Ų | 158.9 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -108.6 | 113.9 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | D | 30.1 | Very low | 36.5 | Very low | 147 Ų | 147 | 161.3 Ų | 161.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -81.2 | 109.5 | 177.4 | -174.6 | 25 | 0 | 0 | 0 | 110 | ||||
| 18 | D | 33.4 | Very low | 35.7 | Very low | 149 Ų | 149 | 159.4 Ų | 159.4 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -177.3 | 125.7 | 150.8 | -106.5 | -30.7 | 0 | 0 | 0 | 110.8 | K20 | D18-K20 PolarHBondContact O-N 3.31Å; D18-K20 VanDerWaalsContact O-N 3.1Å | ||
| 19 | G | 33.5 | Very low | 34.9 | Very low | 74 Ų | 74 | 152.8 Ų | 152.8 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -73.2 | 101.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 20 | K | 38.5 | Very low | 34.8 | Very low | 185 Ų | 185 | 152.4 Ų | 152.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -140.9 | 131.7 | 147.9 | -76.1 | 95.6 | -166.8 | -61.9 | 0 | 110.6 | D18 L22 | D18-K20 PolarHBondContact O-N 3.31Å; D18-K20 VanDerWaalsContact O-N 3.1Å; K20-L22 PolarHBondContact O-N 3.02Å | ||
| 21 | Y | 30 | Very low | 34.8 | Very low | 237 Ų | 237 | 152.3 Ų | 152.3 | 93% | 0.929 | 80% | 0.797 | S | S | * | * | trans | -70.8 | 117.5 | 163.4 | -79.1 | -96 | 0 | 0 | 0 | 109 | ||||
| 22 | L | 33.2 | Very low | 35 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -126.9 | 115 | 169 | -162.6 | 78.2 | 0 | 0 | 0 | 107.9 | K20 | K20-L22 PolarHBondContact O-N 3.02Š| ||
| 23 | L | 36.6 | Very low | 35.4 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -85.5 | 113.9 | 162.7 | -103 | 68.7 | 0 | 0 | 0 | 107.2 | ||||
| 24 | E | 33.2 | Very low | 35.9 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -107.1 | 127.3 | 173.8 | -179.2 | 174.2 | -168.8 | 0 | 0 | 109.2 | ||||
| 25 | N | 35 | Very low | 35.7 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 157.8 | 127.3 | 160 | -84.2 | -37 | 0 | 0 | 0 | 108 | ||||
| 26 | H | 36.4 | Very low | 36.4 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 63% | 0.625 | 78% | 0.777 | S | S | * | * | cis | -137.3 | 164.9 | -3.4 | -67.3 | -63.2 | 0 | 0 | 0 | 111.2 | K162 | H26-K162 PolarHBondContact CD2-NZ 2.93Š| ||
| 27 | Q | 29.3 | Very low | 36.5 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59 | 128.5 | 174.3 | -158.2 | 87.6 | 62.2 | 0 | 0 | 112.5 | ||
| 28 | L | 38.3 | Very low | 37 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 142.4 | 153.7 | -73.7 | 174.4 | 0 | 0 | 0 | 108.7 | ||
| 29 | A | 34.2 | Very low | 37.4 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 141.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 30 | M | 40.8 | Very low | 37.6 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | trans | -91.2 | 111.7 | 172.2 | -69.8 | 168.6 | 63 | 0 | 0 | 109.2 | V32 E37 | M30-V32 PolarHBondContact O-N 3.03Å; M30-E37 VanDerWaalsContact CE-OE1 3.26Å; M30-E37 WeakPolarHBondContact CE-OE1 3.47Å | ||
| 31 | D | 39.9 | Very low | 37.9 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | -67.2 | 123.2 | 164.1 | -66.5 | -43.6 | 0 | 0 | 0 | 108.7 | E33 | D31-E33 PolarHBondContact O-N 3.34Š| ||
| 32 | V | 42.2 | Very low | 38.5 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -75.7 | 5.6 | -160.1 | -178 | 0 | 0 | 0 | 0 | 113.4 | M30 | M30-V32 PolarHBondContact O-N 3.03Š|
| 33 | E | 45.5 | Very low | 39.3 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -121.6 | 33 | -161.1 | -59.9 | -169.8 | 142.1 | 0 | 0 | 114.5 | D31 | D31-E33 PolarHBondContact O-N 3.34Š| ||
| 34 | N | 40.3 | Very low | 39.9 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -144.3 | 109.3 | 160 | -108.1 | -65.6 | 0 | 0 | 0 | 113.4 | I36 | N34-I36 HydrophobicContact CB-CD1 4.18Å; N34-I36 HydrophobicContact CB-CG1 4.29Å; N34-I36 PolarHBondContact O-N 3.44Å | ||
| 35 | N | 35.2 | Very low | 41.2 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -85.9 | 72.4 | -167.8 | -158.5 | -35.7 | 0 | 0 | 0 | 112.2 | ||||
| 36 | I | 42.8 | Very low | 42.5 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 62% | 0.621 | 70% | 0.702 | S | S | * | * | trans | -119.4 | 17.1 | -170.6 | -40.7 | -179 | 0 | 0 | 0 | 112.3 | N34 N38 | N34-I36 HydrophobicContact CB-CD1 4.18Å; N34-I36 HydrophobicContact CB-CG1 4.29Å; N34-I36 PolarHBondContact O-N 3.44Å; I36-N38 PolarHBondContact O-N 2.96Å | ||
| 37 | E | 38 | Very low | 43.7 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 69% | 0.687 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 32 | -173.2 | -57.8 | -168.6 | 130.9 | 0 | 0 | 116 | M30 | M30-E37 VanDerWaalsContact CE-OE1 3.26Å; M30-E37 WeakPolarHBondContact CE-OE1 3.47Å |
| 38 | N | 41.8 | Very low | 45.8 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 13.5 | -173.4 | -90.4 | -86.9 | 0 | 0 | 0 | 115.8 | I36 | I36-N38 PolarHBondContact O-N 2.96Š|
| 39 | Y | 40 | Very low | 47.8 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 61% | 0.612 | 67% | 0.665 | S | S | * | * | trans | -133.4 | 91.6 | 176.5 | -83.5 | -82.9 | 0 | 0 | 0 | 113.6 | L41 | Y39-L41 HydrophobicContact CD1-CG 4.48Å; Y39-L41 PolarHBondContact O-N 3.18Å | ||
| 40 | P | 39 | Very low | 49.8 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 88% | 0.883 | 65% | 0.65 | S | S | * | * | trans | -74.8 | 67.9 | 168.1 | 32.7 | -35.2 | 0 | 0 | 0 | 110.9 | S42 | P40-S42 PolarHBondContact O-N 2.89Š| ||
| 41 | L | 44.3 | Very low | 51.8 | Low | 133 Ų | 133 | 122.5 Ų | 122.5 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | trans | -75.4 | 102.1 | 173 | -73.3 | 174.4 | 0 | 0 | 0 | 109.7 | Y39 L43 | Y39-L41 HydrophobicContact CD1-CG 4.48Å; Y39-L41 PolarHBondContact O-N 3.18Å; L41-L43 WeakPolarHBondContact O-CD1 3.48Å; L41-L43 PolarHBondContact O-N 3.48Å | ||
| 42 | S | 42 | Very low | 53.9 | Low | 84 Ų | 84 | 120.3 Ų | 120.3 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | trans | -61 | 116.8 | 173 | -173 | 0 | 0 | 0 | 0 | 110.7 | P40 P45 | P40-S42 PolarHBondContact O-N 2.89Å; S42-P45 WeakPolarHBondContact O-CD 3.5Å; S42-P45 WeakPolarHBondContact OG-CD 3.29Å | ||
| 43 | L | 51.5 | Low | 55.8 | Low | 126 Ų | 126 | 118.6 Ų | 118.6 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -77.2 | -31.2 | 179.7 | -72.5 | 94.3 | 0 | 0 | 0 | 112.8 | L41 L46 E47 | L41-L43 WeakPolarHBondContact O-CD1 3.48Å; L41-L43 PolarHBondContact O-N 3.48Å; L43-L46 WeakPolarHBondContact O-CA 3.38Å; L43-L46 VanDerWaalsContact O-CB 3.27Å; L43-L46 WeakPolarHBondContact O-CB 3.45Å; L43-L46 PolarHBondContact O-N 3.2Å; L43-E47 PolarHBondContact O-N 3.17Å; L43-E47 VanDerWaalsContact O-N 3.16Å |
| 44 | Q | 47.6 | Very low | 57.5 | Low | 124 Ų | 124 | 112.4 Ų | 112.4 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -55.1 | -42.3 | -175.6 | -73.1 | -71.5 | -36.8 | 0 | 0 | 114.1 | L46 S48 | Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 3.37Å; Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 VanDerWaalsContact O-N 3.12Å; Q44-S48 PolarHBondContact O-OG 3.22Å |
| 45 | P | 61.4 | Low | 59.6 | Low | 63 Ų | 63 | 114.8 Ų | 114.8 | 41% | 0.409 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.2 | -25.3 | 171.7 | -24.6 | 34.9 | 0 | 0 | 0 | 114.8 | S42 K49 | S42-P45 WeakPolarHBondContact O-CD 3.5Å; S42-P45 WeakPolarHBondContact OG-CD 3.29Å; P45-K49 WeakPolarHBondContact O-CD 3.36Å; P45-K49 VanDerWaalsContact O-CG 3.27Å; P45-K49 WeakPolarHBondContact O-CG 3.43Å; P45-K49 PolarHBondContact O-N 2.9Å |
| 46 | L | 61.4 | Low | 61.9 | Low | 121 Ų | 121 | 110.2 Ų | 110.2 | 63% | 0.634 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -77.4 | -47.9 | 179.8 | -131.1 | 73.3 | 0 | 0 | 0 | 110.7 | L43 Q44 S48 K49 V50 | L43-L46 WeakPolarHBondContact O-CA 3.38Å; L43-L46 VanDerWaalsContact O-CB 3.27Å; L43-L46 WeakPolarHBondContact O-CB 3.45Å; L43-L46 PolarHBondContact O-N 3.2Å; Q44-L46 VanDerWaalsContact C-N 3.27Å; Q44-L46 PolarHBondContact O-N 3.37Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 3.32Å; L46-K49 PolarHBondContact O-N 3.06Å; L46-V50 WeakPolarHBondContact O-CG2 3.34Å; L46-V50 PolarHBondContact O-N 3.17Å |
| 47 | E | 61.4 | Low | 63.8 | Low | 82 Ų | 82 | 109.5 Ų | 109.5 | 38% | 0.383 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.5 | -42.8 | 173 | -69.4 | -177.2 | -146.4 | 0 | 0 | 112 | L43 K49 V50 K51 | L43-E47 PolarHBondContact O-N 3.17Å; L43-E47 VanDerWaalsContact O-N 3.16Å; E47-K49 VanDerWaalsContact C-N 3.32Å; E47-K49 PolarHBondContact O-N 3.08Å; E47-V50 PolarHBondContact O-N 3.27Å; E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CD 3.32Å; E47-K51 VanDerWaalsContact O-CG 3.3Å; E47-K51 WeakPolarHBondContact O-CG 3.23Å; E47-K51 PolarHBondContact O-N 3.23Å; E47-K51 IonicContact OE2-NZ 2.73Å; E47-K51 PolarHBondContact OE2-NZ 3.04Å |
| 48 | S | 73.5 | Confident | 66.1 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 40% | 0.399 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.3 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | Q44 L46 K51 I52 | Q44-S48 WeakPolarHBondContact O-CB 3.23Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 VanDerWaalsContact O-N 3.12Å; Q44-S48 PolarHBondContact O-OG 3.22Å; L46-S48 VanDerWaalsContact C-N 3.28Å; L46-S48 PolarHBondContact O-N 3.32Å; S48-K51 PolarHBondContact O-N 3.24Å; S48-I52 WeakPolarHBondContact O-CD1 3.44Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.28Å; S48-I52 PolarHBondContact O-N 3.36Å |
| 49 | K | 80.8 | Confident | 68 | Low | 131 Ų | 131 | 107.6 Ų | 107.6 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 176.1 | -74 | 170.6 | -177.2 | -177.8 | 0 | 112.5 | P45 L46 E47 I52 I53 | P45-K49 WeakPolarHBondContact O-CD 3.36Å; P45-K49 VanDerWaalsContact O-CG 3.27Å; P45-K49 WeakPolarHBondContact O-CG 3.43Å; P45-K49 PolarHBondContact O-N 2.9Å; L46-K49 PolarHBondContact O-N 3.06Å; E47-K49 VanDerWaalsContact C-N 3.32Å; E47-K49 PolarHBondContact O-N 3.08Å; K49-I52 PolarHBondContact O-N 3.11Å; K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 3.48Å |
| 50 | V | 77.7 | Confident | 70.3 | Confident | 75 Ų | 75 | 105.5 Ų | 105.5 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | L46 E47 I52 I53 Q54 | L46-V50 WeakPolarHBondContact O-CG2 3.34Å; L46-V50 PolarHBondContact O-N 3.17Å; E47-V50 PolarHBondContact O-N 3.27Å; V50-I52 VanDerWaalsContact C-N 3.31Å; V50-I52 PolarHBondContact O-N 2.82Å; V50-I53 PolarHBondContact O-N 2.89Å; V50-Q54 HydrophobicContact CG1-CG 4.38Å; V50-Q54 WeakPolarHBondContact O-CG 3.19Å; V50-Q54 PolarHBondContact O-N 2.91Å |
| 51 | K | 81.3 | Confident | 72.3 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 176.3 | -72.4 | 161.4 | 179 | 160.8 | 0 | 111.7 | E47 S48 R55 | E47-K51 WeakPolarHBondContact O-CB 3.36Å; E47-K51 WeakPolarHBondContact O-CD 3.32Å; E47-K51 VanDerWaalsContact O-CG 3.3Å; E47-K51 WeakPolarHBondContact O-CG 3.23Å; E47-K51 PolarHBondContact O-N 3.23Å; E47-K51 IonicContact OE2-NZ 2.73Å; E47-K51 PolarHBondContact OE2-NZ 3.04Å; S48-K51 PolarHBondContact O-N 3.24Å; K51-R55 WeakPolarHBondContact O-CB 3.17Å; K51-R55 PolarHBondContact O-N 3.23Å; K51-R55 VanDerWaalsContact O-N 3.11Å |
| 52 | I | 84.8 | Confident | 74 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -48.4 | 174.2 | -69.2 | 162.6 | 0 | 0 | 0 | 111.6 | S48 K49 V50 Q54 R55 A56 | S48-I52 WeakPolarHBondContact O-CD1 3.44Å; S48-I52 VanDerWaalsContact O-CG1 3.25Å; S48-I52 WeakPolarHBondContact O-CG1 3.28Å; S48-I52 PolarHBondContact O-N 3.36Å; K49-I52 PolarHBondContact O-N 3.11Å; V50-I52 VanDerWaalsContact C-N 3.31Å; V50-I52 PolarHBondContact O-N 2.82Å; I52-Q54 PolarHBondContact O-N 2.86Å; I52-R55 WeakPolarHBondContact O-CB 3.31Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.17Å; I52-A56 PolarHBondContact O-N 3.23Å |
| 53 | I | 81.4 | Confident | 75.8 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | -179.8 | -68.2 | 164.8 | 0 | 0 | 0 | 110.8 | K49 V50 R55 A56 W57 | K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 3.48Å; V50-I53 PolarHBondContact O-N 2.89Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.34Å; I53-A56 PolarHBondContact O-N 3.33Å; I53-W57 WeakPolarHBondContact O-CB 3.46Å; I53-W57 PolarHBondContact O-N 3.06Å |
| 54 | Q | 81.1 | Confident | 76.3 | Confident | 50 Ų | 50 | 106.7 Ų | 106.7 | 23% | 0.234 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 176.1 | -70.3 | 177.4 | -3.9 | 0 | 0 | 112.8 | V50 I52 R58 | V50-Q54 HydrophobicContact CG1-CG 4.38Å; V50-Q54 WeakPolarHBondContact O-CG 3.19Å; V50-Q54 PolarHBondContact O-N 2.91Å; I52-Q54 PolarHBondContact O-N 2.86Å; Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 2.91Å; Q54-R58 VanDerWaalsContact O-N 3.13Å; Q54-R58 PolarHBondContact O-NE 3.5Å |
| 55 | R | 84.2 | Confident | 76.3 | Confident | 183 Ų | 183 | 105.1 Ų | 105.1 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.6 | -47.8 | 174.6 | -172.1 | 173.9 | -175.1 | 149 | 2.8 | 111.3 | K51 I52 I53 W57 R58 E59 | K51-R55 WeakPolarHBondContact O-CB 3.17Å; K51-R55 PolarHBondContact O-N 3.23Å; K51-R55 VanDerWaalsContact O-N 3.11Å; I52-R55 WeakPolarHBondContact O-CB 3.31Å; I52-R55 PolarHBondContact O-N 3.47Å; I52-R55 VanDerWaalsContact O-N 3.17Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.34Å; R55-W57 VanDerWaalsContact C-N 3.31Å; R55-W57 PolarHBondContact O-N 2.61Å; R55-R58 PolarHBondContact O-N 3.09Å; R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 2.81Å |
| 56 | A | 83.7 | Confident | 75.5 | Confident | 56 Ų | 56 | 107.7 Ų | 107.7 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I52 I53 E59 Y60 | I52-A56 PolarHBondContact O-N 3.23Å; I53-A56 PolarHBondContact O-N 3.33Å; A56-E59 CarbonylContact O-C 3.59Å; A56-E59 PolarHBondContact O-N 3.36Å; A56-Y60 WeakPolarHBondContact O-CB 3.33Å; A56-Y60 PolarHBondContact O-N 3.02Å |
| 57 | W | 82 | Confident | 74.6 | Confident | 107 Ų | 107 | 109.1 Ų | 109.1 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 176.5 | -172.6 | -120 | 0 | 0 | 0 | 112.6 | I53 R55 E59 Y60 L61 | I53-W57 WeakPolarHBondContact O-CB 3.46Å; I53-W57 PolarHBondContact O-N 3.06Å; R55-W57 VanDerWaalsContact C-N 3.31Å; R55-W57 PolarHBondContact O-N 2.61Å; W57-E59 VanDerWaalsContact C-N 3.32Å; W57-E59 PolarHBondContact O-N 2.73Å; W57-Y60 AromaticContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CE1 4.29Å; W57-Y60 HydrophobicContact CE3-CG 4.24Å; W57-Y60 AromaticContact CH2-CD1 3.88Å; W57-Y60 HydrophobicContact CH2-CD1 3.88Å; W57-Y60 AromaticContact CH2-CE1 3.75Å; W57-Y60 HydrophobicContact CH2-CE1 3.75Å; W57-Y60 AromaticContact CZ3-CD1 3.3Å; W57-Y60 HydrophobicContact CZ3-CD1 3.3Å; W57-Y60 AromaticContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CE1 3.43Å; W57-Y60 VanDerWaalsContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CG 4.15Å; W57-Y60 WeakPolarHBondContact O-CB 3.37Å; W57-Y60 PolarHBondContact O-N 3.08Å; W57-Y60 VanDerWaalsContact O-N 3.16Å; W57-L61 HydrophobicContact CZ2-CD2 4.46Å; W57-L61 PolarHBondContact O-N 2.94Å |
| 58 | R | 87.2 | Confident | 73.6 | Confident | 145 Ų | 145 | 112.1 Ų | 112.1 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 170.5 | -77.3 | -177.5 | -75.7 | -107 | -0.2 | 112.1 | Q54 R55 Y60 L61 Q62 | Q54-R58 WeakPolarHBondContact O-CG 3.39Å; Q54-R58 PolarHBondContact O-N 2.91Å; Q54-R58 VanDerWaalsContact O-N 3.13Å; Q54-R58 PolarHBondContact O-NE 3.5Å; R55-R58 PolarHBondContact O-N 3.09Å; R58-Y60 VanDerWaalsContact C-N 3.27Å; R58-Y60 PolarHBondContact O-N 3.33Å; R58-L61 PolarHBondContact O-N 3.21Å; R58-Q62 WeakPolarHBondContact O-CB 3.27Å; R58-Q62 PolarHBondContact O-N 2.64Å |
| 59 | E | 82.4 | Confident | 72.1 | Confident | 95 Ų | 95 | 117.4 Ų | 117.4 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.3 | -20.7 | 176.8 | -152.3 | -168.5 | 119.3 | 0 | 0 | 113.5 | R55 A56 W57 R63 | R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 2.81Å; A56-E59 CarbonylContact O-C 3.59Å; A56-E59 PolarHBondContact O-N 3.36Å; W57-E59 VanDerWaalsContact C-N 3.32Å; W57-E59 PolarHBondContact O-N 2.73Å; E59-R63 WeakPolarHBondContact O-CG 3.43Å; E59-R63 PolarHBondContact O-NH1 3.39Å; E59-R63 IonicContact OE1-CZ 2.67Å; E59-R63 IonicContact OE1-NH1 3.53Å; E59-R63 PolarHBondContact OE1-NH1 3.27Å; E59-R63 IonicContact OE1-NH2 2.69Å; E59-R63 PolarHBondContact OE1-NH2 3Å |
| 60 | Y | 87.4 | Confident | 70.1 | Confident | 113 Ų | 113 | 121.9 Ų | 121.9 | 44% | 0.443 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -81.5 | -44.8 | 171.6 | 174.7 | -94.4 | 0 | 0 | 0 | 111.3 | A56 W57 R58 Q62 R63 Q64 | A56-Y60 WeakPolarHBondContact O-CB 3.33Å; A56-Y60 PolarHBondContact O-N 3.02Å; W57-Y60 AromaticContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CD1 3.69Å; W57-Y60 HydrophobicContact CE3-CE1 4.29Å; W57-Y60 HydrophobicContact CE3-CG 4.24Å; W57-Y60 AromaticContact CH2-CD1 3.88Å; W57-Y60 HydrophobicContact CH2-CD1 3.88Å; W57-Y60 AromaticContact CH2-CE1 3.75Å; W57-Y60 HydrophobicContact CH2-CE1 3.75Å; W57-Y60 AromaticContact CZ3-CD1 3.3Å; W57-Y60 HydrophobicContact CZ3-CD1 3.3Å; W57-Y60 AromaticContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CE1 3.43Å; W57-Y60 VanDerWaalsContact CZ3-CE1 3.43Å; W57-Y60 HydrophobicContact CZ3-CG 4.15Å; W57-Y60 WeakPolarHBondContact O-CB 3.37Å; W57-Y60 PolarHBondContact O-N 3.08Å; W57-Y60 VanDerWaalsContact O-N 3.16Å; R58-Y60 VanDerWaalsContact C-N 3.27Å; R58-Y60 PolarHBondContact O-N 3.33Å; Y60-Q62 VanDerWaalsContact C-N 3.34Å; Y60-Q62 PolarHBondContact O-N 2.94Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 WeakPolarHBondContact O-CA 3.36Å; Y60-R63 WeakPolarHBondContact O-CB 3.39Å; Y60-R63 PolarHBondContact O-N 3.36Å; Y60-Q64 HydrophobicContact CD1-CG 4.04Å; Y60-Q64 HydrophobicContact CE1-CG 3.72Å; Y60-Q64 VanDerWaalsContact CZ-NE2 3.26Å; Y60-Q64 WeakPolarHBondContact O-CG 3.42Å; Y60-Q64 PolarHBondContact O-N 2.94Å; Y60-Q64 PolarHBondContact OH-NE2 3.27Å |
| 61 | L | 81.3 | Confident | 68.4 | Low | 88 Ų | 88 | 123.1 Ų | 123.1 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59 | -44.1 | 174.2 | -74.4 | 166.5 | 0 | 0 | 0 | 111.5 | W57 R58 R63 Q64 D65 | W57-L61 HydrophobicContact CZ2-CD2 4.46Å; W57-L61 PolarHBondContact O-N 2.94Å; R58-L61 PolarHBondContact O-N 3.21Å; L61-R63 PolarHBondContact O-N 3.32Å; L61-R63 VanDerWaalsContact O-N 3.08Å; L61-Q64 WeakPolarHBondContact O-CB 3.47Å; L61-Q64 PolarHBondContact O-N 3.39Å; L61-D65 PolarHBondContact O-N 3.48Å |
| 62 | Q | 80.8 | Confident | 66.8 | Low | 145 Ų | 145 | 123.5 Ų | 123.5 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.8 | -12.9 | 174.4 | -157.4 | 83 | 94.5 | 0 | 0 | 114.1 | R58 Y60 D65 | R58-Q62 WeakPolarHBondContact O-CB 3.27Å; R58-Q62 PolarHBondContact O-N 2.64Å; Y60-Q62 VanDerWaalsContact C-N 3.34Å; Y60-Q62 PolarHBondContact O-N 2.94Å; Q62-D65 PolarHBondContact NE2-OD2 3.2Å |
| 63 | R | 79 | Confident | 64.8 | Low | 163 Ų | 163 | 123.2 Ų | 123.2 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -99.8 | -14.8 | 171.4 | -71.3 | 176.7 | 177.9 | 114.5 | -0.4 | 113.3 | E59 Y60 L61 | E59-R63 WeakPolarHBondContact O-CG 3.43Å; E59-R63 PolarHBondContact O-NH1 3.39Å; E59-R63 IonicContact OE1-CZ 2.67Å; E59-R63 IonicContact OE1-NH1 3.53Å; E59-R63 PolarHBondContact OE1-NH1 3.27Å; E59-R63 IonicContact OE1-NH2 2.69Å; E59-R63 PolarHBondContact OE1-NH2 3Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 WeakPolarHBondContact O-CA 3.36Å; Y60-R63 WeakPolarHBondContact O-CB 3.39Å; Y60-R63 PolarHBondContact O-N 3.36Å; L61-R63 PolarHBondContact O-N 3.32Å; L61-R63 VanDerWaalsContact O-N 3.08Å |
| 64 | Q | 62.3 | Low | 63.3 | Low | 107 Ų | 107 | 123.4 Ų | 123.4 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -86.5 | -16.5 | 175.4 | -76.3 | -77.8 | 0.7 | 0 | 0 | 112.5 | Y60 L61 P66 | Y60-Q64 HydrophobicContact CD1-CG 4.04Å; Y60-Q64 HydrophobicContact CE1-CG 3.72Å; Y60-Q64 VanDerWaalsContact CZ-NE2 3.26Å; Y60-Q64 WeakPolarHBondContact O-CG 3.42Å; Y60-Q64 PolarHBondContact O-N 2.94Å; Y60-Q64 PolarHBondContact OH-NE2 3.27Å; L61-Q64 WeakPolarHBondContact O-CB 3.47Å; L61-Q64 PolarHBondContact O-N 3.39Å; Q64-P66 WeakPolarHBondContact O-CD 3.38Å; Q64-P66 VanDerWaalsContact O-N 3.14Å |
| 65 | D | 48.3 | Very low | 61.7 | Low | 92 Ų | 92 | 126.9 Ų | 126.9 | 49% | 0.492 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -44.4 | 118.1 | 168.5 | -84.9 | -48 | 0 | 0 | 0 | 110.2 | L61 Q62 L67 | L61-D65 PolarHBondContact O-N 3.48Å; Q62-D65 PolarHBondContact NE2-OD2 3.2Å; D65-L67 PolarHBondContact O-N 3.47Å |
| 66 | P | 43.2 | Very low | 59.8 | Low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 64% | 0.642 | S | S | * | * | trans | -57.2 | 102.1 | -159.6 | -32.6 | 37.3 | 0 | 0 | 0 | 116.4 | Q64 E68 | Q64-P66 WeakPolarHBondContact O-CD 3.38Å; Q64-P66 VanDerWaalsContact O-N 3.14Å; P66-E68 PolarHBondContact O-N 2.98Å | ||
| 67 | L | 43.9 | Very low | 58 | Low | 151 Ų | 151 | 127.7 Ų | 127.7 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | trans | -72.5 | 57.5 | 168.2 | -89.4 | 168.9 | 0 | 0 | 0 | 112.3 | D65 K69 | D65-L67 PolarHBondContact O-N 3.47Å; L67-K69 PolarHBondContact O-N 2.82Å | ||
| 68 | E | 40.3 | Very low | 56 | Low | 145 Ų | 145 | 128.5 Ų | 128.5 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 110.1 | 164.8 | -90.7 | -116.5 | 111.2 | 0 | 0 | 109.9 | P66 | P66-E68 PolarHBondContact O-N 2.98Š|
| 69 | K | 42.2 | Very low | 53.9 | Low | 167 Ų | 167 | 126.8 Ų | 126.8 | 73% | 0.726 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.4 | 62.8 | 159.4 | -50.3 | 167.9 | 175.1 | 75.8 | 0 | 116.2 | L67 | L67-K69 PolarHBondContact O-N 2.82Š|
| 70 | R | 37.1 | Very low | 52 | Low | 226 Ų | 226 | 128.3 Ų | 128.3 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | trans | -136.7 | 81.3 | 156.4 | -149.1 | 171.4 | -167.2 | 169.3 | 4.1 | 114.5 | ||||
| 71 | S | 43 | Very low | 50.2 | Low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | -58 | 135.5 | 169.2 | -49 | 0 | 0 | 0 | 0 | 111.2 | S73 | S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.48Å | ||
| 72 | P | 47.7 | Very low | 49 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -77.4 | 81.5 | 177.7 | 31.4 | -34.7 | 0 | 0 | 0 | 111.1 | ||||
| 73 | S | 42.2 | Very low | 47 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -66.5 | 134.7 | 168.4 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | S71 | S71-S73 VanDerWaalsContact C-N 3.34Å; S71-S73 PolarHBondContact O-N 3.48Å | ||
| 74 | P | 49.1 | Very low | 45.4 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | trans | -68.8 | 153.5 | -178.3 | 28.6 | -35.4 | 0 | 0 | 0 | 112.1 | S76 | P74-S76 PolarHBondContact O-N 3.31Å; P74-S76 VanDerWaalsContact O-N 3.1Å | ||
| 75 | P | 49.4 | Very low | 44.6 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | -65.2 | 112.5 | 179.6 | 26.7 | -34 | 0 | 0 | 0 | 110.8 | V77 | P75-V77 PolarHBondContact O-N 2.99Å; P75-V77 VanDerWaalsContact O-N 3.12Å | ||
| 76 | S | 43 | Very low | 44.4 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -73.3 | 101.5 | 177.6 | -65 | 0 | 0 | 0 | 0 | 110.4 | P74 S78 | P74-S76 PolarHBondContact O-N 3.31Å; P74-S76 VanDerWaalsContact O-N 3.1Å; S76-S78 PolarHBondContact O-N 2.81Å | ||
| 77 | V | 45.6 | Very low | 44.7 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 126.5 | 172 | -71.3 | 0 | 0 | 0 | 0 | 110.3 | P75 | P75-V77 PolarHBondContact O-N 2.99Å; P75-V77 VanDerWaalsContact O-N 3.12Å |
| 78 | S | 40.9 | Very low | 44.8 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 141.6 | 177.6 | -165.9 | 0 | 0 | 0 | 0 | 110.6 | S76 | S76-S78 PolarHBondContact O-N 2.81Š|
| 79 | S | 43.1 | Very low | 45.2 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 136.6 | -171.3 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 80 | D | 41.9 | Very low | 45.3 | Very low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | -142.6 | 87 | 159 | -129 | -10.9 | 0 | 0 | 0 | 115.1 | ||||
| 81 | K | 49.2 | Very low | 45.7 | Very low | 171 Ų | 171 | 125.1 Ų | 125.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 67 | 147.9 | 149.2 | -58.2 | 170.9 | -177.1 | 86.9 | 0 | 120.9 | ||||
| 82 | L | 55.9 | Low | 45.8 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | 86.1 | 72.2 | 160.7 | -48 | -170.8 | 0 | 0 | 0 | 120.7 | ||||
| 83 | S | 40.4 | Very low | 45.6 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 36.2 | 124.7 | 123.8 | -49.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 84 | S | 44.4 | Very low | 45.7 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | -176.6 | 148.3 | 103.5 | 46.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 85 | S | 45.1 | Very low | 45.5 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | 23.8 | 124.1 | 158.9 | 42.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 86 | V | 44.9 | Very low | 45.3 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | 64.8 | 115.5 | 64.5 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 87 | S | 48.5 | Very low | 45.9 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | -168.4 | 178.4 | 60.6 | -25.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 88 | M | 46.9 | Very low | 45.7 | Very low | 151 Ų | 151 | 128 Ų | 128 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | cis | -171.6 | 165.2 | -15.2 | -118.7 | 166.8 | 68.9 | 0 | 0 | 110.1 | ||||
| 89 | N | 48 | Very low | 46.5 | Very low | 112 Ų | 112 | 133 Ų | 133 | 60% | 0.599 | 76% | 0.763 | S | S | * | * | trans | 65.4 | 133.7 | 158.4 | -68.7 | 27.2 | 0 | 0 | 0 | 119.9 | ||||
| 90 | T | 44.2 | Very low | 46.9 | Very low | 104 Ų | 104 | 138 Ų | 138 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | cis | 114.5 | 143.9 | 12.3 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 91 | F | 46.4 | Very low | 47.3 | Very low | 186 Ų | 186 | 139 Ų | 139 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | 128.9 | 106.8 | 164.8 | -64.6 | -47 | 0 | 0 | 0 | 110.4 | ||||
| 92 | S | 45.4 | Very low | 47.7 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 82.5 | 140.9 | 76.4 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 93 | D | 43.2 | Very low | 47.6 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | cis | -170.7 | -172.5 | -15.3 | -156.1 | -21.7 | 0 | 0 | 0 | 108.2 | ||||
| 94 | S | 43.6 | Very low | 48.6 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 76 | 148.1 | 169.1 | 77.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 95 | S | 46.3 | Very low | 49.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | cis | -165.1 | 153.3 | -16.4 | -99.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 96 | T | 43.5 | Very low | 49.5 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -124.1 | 156.5 | 167.9 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 97 | P | 57.1 | Low | 49.5 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -130.3 | 130.5 | 161.8 | 35.8 | -21.4 | 0 | 0 | 0 | 113.8 | ||||
| 98 | D | 40.4 | Very low | 49.6 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -79.4 | 155.8 | 166.3 | -69.2 | -64.8 | 0 | 0 | 0 | 112.1 | ||||
| 99 | Y | 57.5 | Low | 49.4 | Very low | 229 Ų | 229 | 140.5 Ų | 140.5 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -135.9 | 127.9 | 157.8 | -100.3 | -86.1 | 0 | 0 | 0 | 113.7 | ||||
| 100 | R | 52.1 | Low | 49.3 | Very low | 214 Ų | 214 | 139.7 Ų | 139.7 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -59.8 | 173.1 | 162.1 | -84.3 | -172.8 | 160.7 | 106.5 | 1.2 | 113.5 | ||||
| 101 | E | 50.3 | Low | 49.2 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | cis | -179.2 | 115.1 | -18.7 | 172.9 | 176.3 | 160.2 | 0 | 0 | 106.8 | ||||
| 102 | D | 58.3 | Low | 49 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -157.4 | 145.8 | 169.7 | -90.2 | -52.3 | 0 | 0 | 0 | 106.3 | ||||
| 103 | G | 52.6 | Low | 48.8 | Very low | 51 Ų | 51 | 136 Ų | 136 | 53% | 0.526 | 81% | 0.806 | S | S | . | * | cis | 144.4 | 130.7 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 104 | M | 62 | Low | 48.8 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 68.8 | 163.5 | -176.9 | -48.8 | 129.8 | -119.6 | 0 | 0 | 116.3 | ||||
| 105 | D | 57.9 | Low | 48.8 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | -163.4 | 168.8 | -58.9 | -164.3 | 7.1 | 0 | 0 | 0 | 107.1 | |||||
| 106 | L | 50.8 | Low | 48.6 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -59.6 | 141.2 | -169.3 | -60.6 | 164 | 0 | 0 | 0 | 115.4 | ||||
| 107 | G | 45.3 | Very low | 48.9 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -156.2 | 133 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 108 | S | 50.1 | Low | 48.1 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -101.9 | 169.8 | -168.4 | -57.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 109 | D | 43.4 | Very low | 48.3 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | 99 | 153.7 | 144.9 | -136 | -13.1 | 0 | 0 | 0 | 118.5 | ||||
| 110 | A | 44.4 | Very low | 47.5 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -96.4 | 141.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 111 | G | 43.4 | Very low | 47.2 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -161.9 | 93.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S113 | G111-S113 PolarHBondContact O-N 3.09Š| ||
| 112 | S | 41.7 | Very low | 46.7 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -70 | 112 | 170.6 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 113 | S | 41.7 | Very low | 46.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -154.7 | 131.7 | 167.7 | -84 | 0 | 0 | 0 | 0 | 113.9 | G111 | G111-S113 PolarHBondContact O-N 3.09Š| ||
| 114 | S | 42.9 | Very low | 45.7 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | -23.9 | 138.7 | 171.2 | -48.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 115 | S | 43.2 | Very low | 45.2 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -113 | 95.5 | 156.7 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 116 | S | 42.9 | Very low | 44.5 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -77.5 | 128.5 | -179.5 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 117 | R | 48.8 | Very low | 44.7 | Very low | 236 Ų | 236 | 129.3 Ų | 129.3 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -130.7 | 87 | 164.1 | -60.6 | -165.3 | 81.9 | 176.7 | 4.9 | 110.5 | ||||
| 118 | A | 40.2 | Very low | 44.7 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -79.9 | 134.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 119 | S | 45.3 | Very low | 44.7 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -135.2 | 91.5 | 169.6 | -73.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 120 | S | 39.9 | Very low | 44.3 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 124.3 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 121 | Q | 46.8 | Very low | 44.8 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -135.5 | 118 | 155.5 | -69 | -164.1 | 21.8 | 0 | 0 | 109.4 | ||||
| 122 | S | 39.1 | Very low | 44.5 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -97.4 | 129.2 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 123 | N | 48.7 | Very low | 44.3 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -122.1 | 110.2 | 163.5 | -98.1 | -31.8 | 0 | 0 | 0 | 108.9 | ||||
| 124 | S | 41.4 | Very low | 44.3 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -124.9 | 99.4 | 177.1 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 125 | T | 51.8 | Low | 43.8 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -102.1 | 77 | -178.3 | 40.6 | 0 | 0 | 0 | 0 | 110.9 | V127 | T125-V127 PolarHBondContact O-N 2.99Š| ||
| 126 | K | 42.9 | Very low | 43.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -71.3 | 112.4 | 172.7 | 176.7 | -178.2 | 177 | 176.7 | 0 | 110.8 | ||||
| 127 | V | 54.4 | Low | 43.7 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -135 | 123.8 | 166.7 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | T125 | T125-V127 PolarHBondContact O-N 2.99Š| ||
| 128 | T | 45.3 | Very low | 43.1 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | -146 | 113.5 | 176 | -50.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 129 | P | 51.2 | Low | 43.2 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -97.9 | 129.9 | 162.6 | 33.6 | -25.9 | 0 | 0 | 0 | 110.1 | ||||
| 130 | C | 34.7 | Very low | 42.7 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -89.1 | 151.8 | 174.6 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 131 | S | 54.8 | Low | 42.5 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -143.3 | 148.8 | 155.1 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 132 | E | 37.8 | Very low | 42 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -96.1 | 132.8 | -164.6 | -61.1 | 158.6 | 85.9 | 0 | 0 | 112.9 | ||||
| 133 | C | 37.7 | Very low | 42.2 | Very low | 131 Ų | 131 | 131 Ų | 131 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -123.9 | 138.3 | 163 | -74.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 134 | K | 40 | Very low | 42 | Very low | 204 Ų | 204 | 128.1 Ų | 128.1 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 150.4 | -166.6 | -72.3 | 170.9 | 178.2 | 168.7 | 0 | 113.5 | ||||
| 135 | S | 33.5 | Very low | 42.3 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -71.6 | 144.2 | 175.5 | -38.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 136 | S | 42.6 | Very low | 42.1 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -154.6 | 109.1 | 153 | 60 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 137 | S | 41.7 | Very low | 42.5 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 26 | 119 | 153.7 | -48.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 138 | S | 35.2 | Very low | 42.2 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -70.2 | 154.5 | 151.5 | -48.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 139 | P | 43.2 | Very low | 42.3 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | -110.1 | 160.1 | 109.7 | 33.3 | -34.7 | 0 | 0 | 0 | 110.2 | |||||
| 140 | G | 34 | Very low | 42.3 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | cis | 110.8 | 61.6 | 17.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 141 | G | 36.4 | Very low | 42.8 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -165.6 | 125.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 142 | S | 35.6 | Very low | 42.1 | Very low | 125 Ų | 125 | 127 Ų | 127 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -71.1 | 122.1 | 171.9 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 143 | L | 44.5 | Very low | 42.3 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -112.7 | 117.7 | 169.3 | -82 | 168.2 | 0 | 0 | 0 | 109 | L145 | L143-L145 PolarHBondContact O-N 2.92Š| ||
| 144 | D | 44.3 | Very low | 42.5 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 53% | 0.529 | 75% | 0.75 | S | S | . | * | trans | -60.1 | 115.1 | 171.9 | -175.3 | -30.6 | 0 | 0 | 0 | 109.2 | V146 S147 A148 | D144-V146 VanDerWaalsContact C-N 3.28Å; D144-V146 PolarHBondContact O-N 2.88Å; D144-V146 WeakPolarHBondContact OD1-CA 3.38Å; D144-V146 WeakPolarHBondContact OD1-CB 3.48Å; D144-V146 PolarHBondContact OD1-N 3.4Å; D144-S147 PolarHBondContact OD1-N 3.32Å; D144-A148 VanDerWaalsContact O-CB 3.22Å; D144-A148 WeakPolarHBondContact O-CB 3.31Å; D144-A148 PolarHBondContact O-N 3.09Å | ||
| 145 | L | 47.4 | Very low | 42.5 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -7.3 | -175.4 | -121 | 165.7 | 0 | 0 | 0 | 112.9 | L143 | L143-L145 PolarHBondContact O-N 2.92Š|
| 146 | V | 46.2 | Very low | 42.6 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -57.4 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | D144 A148 L149 | D144-V146 VanDerWaalsContact C-N 3.28Å; D144-V146 PolarHBondContact O-N 2.88Å; D144-V146 WeakPolarHBondContact OD1-CA 3.38Å; D144-V146 WeakPolarHBondContact OD1-CB 3.48Å; D144-V146 PolarHBondContact OD1-N 3.4Å; V146-A148 PolarHBondContact O-N 3.21Å; V146-L149 PolarHBondContact O-N 3.47Å |
| 147 | S | 52.1 | Low | 42.6 | Very low | 68 Ų | 68 | 125 Ų | 125 | 48% | 0.476 | 73% | 0.73 | S | S | . | * | G | 310 helix | trans | -72 | -13.8 | 179.6 | -71.1 | 0 | 0 | 0 | 0 | 114.3 | D144 L149 E150 | D144-S147 PolarHBondContact OD1-N 3.32Å; S147-L149 PolarHBondContact O-N 2.87Å; S147-E150 PolarHBondContact O-N 3.34Å; S147-E150 PolarHBondContact OG-OE2 2.78Å |
| 148 | A | 49.1 | Very low | 42.5 | Very low | 61 Ų | 61 | 125.7 Ų | 125.7 | 50% | 0.504 | 73% | 0.729 | S | S | . | * | G | 310 helix | trans | -70.3 | -8.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D144 V146 | D144-A148 VanDerWaalsContact O-CB 3.22Å; D144-A148 WeakPolarHBondContact O-CB 3.31Å; D144-A148 PolarHBondContact O-N 3.09Å; V146-A148 PolarHBondContact O-N 3.21Å |
| 149 | L | 46.8 | Very low | 42.6 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -103.5 | -7.6 | 176.9 | -115.5 | 70.1 | 0 | 0 | 0 | 114.2 | V146 S147 | V146-L149 PolarHBondContact O-N 3.47Å; S147-L149 PolarHBondContact O-N 2.87Å |
| 150 | E | 50.1 | Low | 42.5 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -4.4 | -171.7 | -63.7 | -177.6 | 115.4 | 0 | 0 | 114.2 | S147 | S147-E150 PolarHBondContact O-N 3.34Å; S147-E150 PolarHBondContact OG-OE2 2.78Å |
| 151 | D | 45.9 | Very low | 42.8 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 21.7 | -176.8 | -152.7 | 24.5 | 0 | 0 | 0 | 113 | ||
| 152 | Y | 40.8 | Very low | 43.2 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | trans | -116.5 | 57.6 | 178.5 | -128.3 | -82.1 | 0 | 0 | 0 | 112.4 | E154 | Y152-E154 HydrophobicContact CD1-CB 4.04Å; Y152-E154 HydrophobicContact CE1-CB 4.2Å; Y152-E154 PolarHBondContact O-N 3.03Å | ||
| 153 | E | 40.9 | Very low | 43.4 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 94% | 0.944 | 67% | 0.674 | S | S | * | * | trans | -72.8 | 53.1 | 174.4 | -161.4 | -177.9 | -144.4 | 0 | 0 | 112.1 | ||||
| 154 | E | 42.5 | Very low | 43.3 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | trans | -85.1 | 126.5 | 176.4 | -166.9 | 163.9 | -143.1 | 0 | 0 | 110.7 | Y152 F156 | Y152-E154 HydrophobicContact CD1-CB 4.04Å; Y152-E154 HydrophobicContact CE1-CB 4.2Å; Y152-E154 PolarHBondContact O-N 3.03Å; E154-F156 PolarHBondContact O-N 2.73Å; E154-F156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | P | 40 | Very low | 43.2 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | trans | -59.7 | 114.1 | -170.5 | -29.3 | 36.7 | 0 | 0 | 0 | 115.1 | P157 | P155-P157 WeakPolarHBondContact O-CD 3.26Š| ||
| 156 | F | 34.9 | Very low | 43.2 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | trans | -47.8 | 122.2 | 177.2 | -108.3 | -107 | 0 | 0 | 0 | 112.8 | E154 V158 | E154-F156 PolarHBondContact O-N 2.73Å; E154-F156 VanDerWaalsContact O-N 3.1Å; F156-V158 PolarHBondContact O-N 2.94Å | ||
| 157 | P | 42.7 | Very low | 42.9 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | trans | -58.2 | 133.3 | 173.1 | -26.7 | 35.8 | 0 | 0 | 0 | 112 | P155 Y159 | P155-P157 WeakPolarHBondContact O-CD 3.26Å; P157-Y159 PolarHBondContact O-N 2.86Å | ||
| 158 | V | 40.9 | Very low | 42.3 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 81% | 0.806 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 53.8 | -166.2 | -164.9 | 0 | 0 | 0 | 0 | 112.9 | F156 | F156-V158 PolarHBondContact O-N 2.94Š|
| 159 | Y | 36.5 | Very low | 42 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 60% | 0.604 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -22.9 | -174.7 | -88.7 | -82.4 | 0 | 0 | 0 | 115.1 | P157 | P157-Y159 PolarHBondContact O-N 2.86Š|
| 160 | Q | 40.2 | Very low | 42.1 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -80 | -25.8 | -176.3 | -71.2 | -169.1 | -6.5 | 0 | 0 | 114.8 | K162 V163 | Q160-K162 PolarHBondContact O-N 3.08Å; Q160-V163 PolarHBondContact O-N 3.19Å |
| 161 | K | 42.1 | Very low | 41.8 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -63.1 | -38.8 | -179 | 178.3 | 158.5 | 180 | 164 | 0 | 113 | V163 I164 D165 | K161-V163 VanDerWaalsContact C-N 3.25Å; K161-V163 PolarHBondContact O-N 3.13Å; K161-I164 PolarHBondContact O-N 2.94Å; K161-D165 VanDerWaalsContact CE-CG 3.44Å; K161-D165 WeakPolarHBondContact CE-OD1 3.23Å; K161-D165 WeakPolarHBondContact CE-OD2 3.18Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.46Å; K161-D165 PolarHBondContact O-N 3.39Å |
| 162 | K | 43.3 | Very low | 41.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 52% | 0.522 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -61.4 | -29.6 | -179.1 | -66.7 | -172.1 | 175.9 | -172.5 | 0 | 113.9 | H26 Q160 I164 E166 | H26-K162 PolarHBondContact CD2-NZ 2.93Å; Q160-K162 PolarHBondContact O-N 3.08Å; K162-I164 VanDerWaalsContact C-N 3.26Å; K162-I164 PolarHBondContact O-N 3.34Å; K162-E166 WeakPolarHBondContact O-CB 3.47Å; K162-E166 PolarHBondContact O-N 2.9Å |
| 163 | V | 40.8 | Very low | 41.5 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 50% | 0.497 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -74.7 | -19.5 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | Q160 K161 | Q160-V163 PolarHBondContact O-N 3.19Å; K161-V163 VanDerWaalsContact C-N 3.25Å; K161-V163 PolarHBondContact O-N 3.13Å |
| 164 | I | 42.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -90.6 | -47.1 | 175.5 | -59.7 | 174.2 | 0 | 0 | 0 | 109.2 | K161 K162 E166 W167 A168 | K161-I164 PolarHBondContact O-N 2.94Å; K162-I164 VanDerWaalsContact C-N 3.26Å; K162-I164 PolarHBondContact O-N 3.34Å; I164-E166 PolarHBondContact O-N 3.32Å; I164-W167 PolarHBondContact O-N 2.93Å; I164-A168 PolarHBondContact O-N 3.02Å |
| 165 | D | 41.9 | Very low | 41.1 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 47% | 0.471 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -62.7 | -25.2 | 177.2 | -61.2 | -8.3 | 0 | 0 | 0 | 112.7 | K161 | K161-D165 VanDerWaalsContact CE-CG 3.44Å; K161-D165 WeakPolarHBondContact CE-OD1 3.23Å; K161-D165 WeakPolarHBondContact CE-OD2 3.18Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.46Å; K161-D165 PolarHBondContact O-N 3.39Å |
| 166 | E | 47.2 | Very low | 40.9 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -14.2 | 175 | -175.6 | 178.8 | -146.2 | 0 | 0 | 113.9 | K162 I164 | K162-E166 WeakPolarHBondContact O-CB 3.47Å; K162-E166 PolarHBondContact O-N 2.9Å; I164-E166 PolarHBondContact O-N 3.32Å |
| 167 | W | 40.9 | Very low | 40.9 | Very low | 203 Ų | 203 | 139 Ų | 139 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -6.5 | -177.1 | -75.9 | 77.5 | 0 | 0 | 0 | 114.4 | I164 | I164-W167 PolarHBondContact O-N 2.93Š|
| 168 | A | 37.5 | Very low | 40.8 | Very low | 54 Ų | 54 | 143.4 Ų | 143.4 | 45% | 0.446 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -65.5 | 138.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I164 | I164-A168 PolarHBondContact O-N 3.02Š|
| 169 | P | 44.4 | Very low | 40.4 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 139.4 | 151.6 | -12.5 | 28.1 | 0 | 0 | 0 | 107.4 | E171 | P169-E171 PolarHBondContact O-N 3.2Š|
| 170 | E | 47.5 | Very low | 40.6 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 116.7 | 166.6 | -60.8 | -145.5 | 134.2 | 0 | 0 | 107.2 | D172 | E170-D172 VanDerWaalsContact C-N 3.25Å; E170-D172 PolarHBondContact O-N 3.43Å |
| 171 | E | 45.1 | Very low | 40.4 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | trans | -70.2 | 91.4 | 169.2 | -69.1 | -175.2 | 149.2 | 0 | 0 | 106.3 | P169 G173 | P169-E171 PolarHBondContact O-N 3.2Å; E171-G173 PolarHBondContact O-N 2.87Å | ||
| 172 | D | 39.3 | Very low | 40.7 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -47.4 | 107.7 | 173.1 | -79.4 | -48 | 0 | 0 | 0 | 108.3 | E170 E174 | E170-D172 VanDerWaalsContact C-N 3.25Å; E170-D172 PolarHBondContact O-N 3.43Å; D172-E174 PolarHBondContact O-N 2.78Å; D172-E174 VanDerWaalsContact O-N 3.12Å | ||
| 173 | G | 39.8 | Very low | 40.5 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -64.1 | 115.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E171 E175 | E171-G173 PolarHBondContact O-N 2.87Å; G173-E175 VanDerWaalsContact C-N 3.33Å; G173-E175 PolarHBondContact O-N 2.92Å | ||
| 174 | E | 36 | Very low | 40.3 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -66.9 | 89.9 | 175.2 | -64.1 | -175 | 175.9 | 0 | 0 | 109.5 | D172 E176 | D172-E174 PolarHBondContact O-N 2.78Å; D172-E174 VanDerWaalsContact O-N 3.12Å; E174-E176 PolarHBondContact O-N 2.64Å | ||
| 175 | E | 38.9 | Very low | 40.4 | Very low | 178 Ų | 178 | 155 Ų | 155 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -68.2 | 111.5 | 167.3 | -67.8 | -166.6 | 162.1 | 0 | 0 | 108.6 | G173 E177 | G173-E175 VanDerWaalsContact C-N 3.33Å; G173-E175 PolarHBondContact O-N 2.92Å; E175-E177 PolarHBondContact O-N 2.67Å | ||
| 176 | E | 35.7 | Very low | 40.2 | Very low | 191 Ų | 191 | 156.8 Ų | 156.8 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -67.6 | 85.5 | 178.4 | -65.5 | -176 | 148.4 | 0 | 0 | 111.1 | E174 E178 | E174-E176 PolarHBondContact O-N 2.64Å; E176-E178 PolarHBondContact O-N 3.04Å | ||
| 177 | E | 35.9 | Very low | 40.1 | Very low | 181 Ų | 181 | 157.2 Ų | 157.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -72.4 | 111.5 | 167.8 | -70 | -160.2 | 143.7 | 0 | 0 | 110.6 | E175 | E175-E177 PolarHBondContact O-N 2.67Š| ||
| 178 | E | 39.7 | Very low | 39.9 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -64.1 | 134 | 176.8 | -66.5 | -172.8 | 127.1 | 0 | 0 | 112.5 | E176 D180 | E176-E178 PolarHBondContact O-N 3.04Å; E178-D180 PolarHBondContact O-N 3.01Å | ||
| 179 | E | 34.1 | Very low | 39.9 | Very low | 200 Ų | 200 | 155 Ų | 155 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | -69.6 | 110.9 | 170.5 | -67.1 | -174.6 | 114.6 | 0 | 0 | 112 | ||||
| 180 | D | 39.1 | Very low | 39.9 | Very low | 126 Ų | 126 | 155 Ų | 155 | 67% | 0.674 | 80% | 0.802 | S | S | * | * | trans | -105.8 | 99.5 | 156.2 | -168.7 | 6.1 | 0 | 0 | 0 | 110.4 | E178 R182 | E178-D180 PolarHBondContact O-N 3.01Å; D180-R182 PolarHBondContact O-N 2.79Å; D180-R182 VanDerWaalsContact O-N 3.17Å; D180-R182 IonicContact OD1-CZ 3.72Å; D180-R182 IonicContact OD1-NE 3.68Å; D180-R182 IonicContact OD1-NH2 2.86Å; D180-R182 PolarHBondContact OD1-NH2 2.97Å | ||
| 181 | D | 37.7 | Very low | 39.3 | Very low | 137 Ų | 137 | 150.9 Ų | 150.9 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 110.5 | 174.2 | 167.8 | 35.4 | 0 | 0 | 0 | 111.5 | ||||
| 182 | R | 47.1 | Very low | 39.1 | Very low | 206 Ų | 206 | 153.4 Ų | 153.4 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -157 | 82.1 | 159.2 | -121.6 | 153 | -67.7 | -130.5 | 4.5 | 117.4 | D180 | D180-R182 PolarHBondContact O-N 2.79Å; D180-R182 VanDerWaalsContact O-N 3.17Å; D180-R182 IonicContact OD1-CZ 3.72Å; D180-R182 IonicContact OD1-NE 3.68Å; D180-R182 IonicContact OD1-NH2 2.86Å; D180-R182 PolarHBondContact OD1-NH2 2.97Å | ||
| 183 | G | 39 | Very low | 39 | Very low | 66 Ų | 66 | 154.3 Ų | 154.3 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | 51.5 | 84.3 | 126 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 184 | Y | 37.1 | Very low | 39.3 | Very low | 193 Ų | 193 | 156.5 Ų | 156.5 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | 35.6 | 115.7 | 127.3 | -141.9 | -64.6 | 0 | 0 | 0 | 119.9 | |||||
| 185 | R | 44.8 | Very low | 39.6 | Very low | 203 Ų | 203 | 151.3 Ų | 151.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | 162.1 | 105.3 | 140 | -78.6 | -99 | 178.3 | -81.1 | -20.4 | 107.7 | ||||
| 186 | D | 37.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | 86.3 | 144.8 | 64.8 | -160.5 | 13.6 | 0 | 0 | 0 | 113.3 | |||||
| 187 | D | 44 | Very low | 40 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 63.7 | 132.1 | -173.9 | -84.3 | -51.5 | 0 | 0 | 0 | 120.6 | ||||
| 188 | G | 38.5 | Very low | 40 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 123.8 | 89 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 189 | C | 36.9 | Very low | 40 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -126.4 | 168.2 | 167.1 | -113.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 190 | P | 43.5 | Very low | 40.2 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -140.9 | -175 | -13.1 | 41 | -22.3 | 0 | 0 | 0 | 115.7 | ||||
| 191 | A | 35.5 | Very low | 40 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | 74.2 | 124 | 144.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 192 | R | 41.7 | Very low | 40 | Very low | 245 Ų | 245 | 139.8 Ų | 139.8 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | -176.3 | 131.9 | 113.2 | -104.3 | 174.5 | 173.9 | -105.5 | -2.5 | 116 | |||||
| 193 | E | 35.8 | Very low | 39.5 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -89.8 | 178.7 | 160.2 | -89.1 | -90.5 | 91.1 | 0 | 0 | 110.8 | ||||
| 194 | P | 46.9 | Very low | 39.2 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -128.2 | -169.5 | -25.2 | 33.3 | -14 | 0 | 0 | 0 | 112.2 | ||||
| 195 | G | 41.6 | Very low | 39.1 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -159.5 | 114 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 196 | D | 36.9 | Very low | 38.8 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -83.3 | 155.2 | 178.7 | -142.9 | -35.4 | 0 | 0 | 0 | 113 | ||||
| 197 | V | 45.9 | Very low | 38.7 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | -177.8 | 143.3 | 126.3 | -90.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 198 | S | 37 | Very low | 38.7 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -95.7 | 147.6 | 176.3 | -67.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 199 | A | 39.9 | Very low | 39 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | 177.5 | 159.7 | 143.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 200 | R | 37.8 | Very low | 39.1 | Very low | 223 Ų | 223 | 129.4 Ų | 129.4 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | cis | 175.7 | 153.2 | -41.1 | -119 | -172.7 | -174.9 | -155.6 | 3.2 | 108.2 | ||||
| 201 | I | 36 | Very low | 39 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | 74.5 | 132.7 | 161 | -58.5 | 150.8 | 0 | 0 | 0 | 117.1 | ||||
| 202 | G | 36.1 | Very low | 38.9 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 173.3 | 66.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 203 | S | 37.1 | Very low | 39 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -40.5 | 165.3 | 162.9 | -55.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 204 | S | 33.2 | Very low | 39 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | cis | 178 | 140.5 | -17 | 55 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 205 | G | 35.2 | Very low | 38.7 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 75.6 | 175.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 206 | S | 37.5 | Very low | 38.8 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | cis | -166.5 | 134.3 | -12.3 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 207 | G | 36.4 | Very low | 39 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 79.7 | 174 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 208 | S | 42.8 | Very low | 39.3 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | cis | -169.3 | 147.2 | -4.3 | -141.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 209 | R | 44.7 | Very low | 40 | Very low | 229 Ų | 229 | 124.6 Ų | 124.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 69.5 | 162.2 | 160.3 | -56.9 | 162.2 | 75.7 | -171.6 | 5.2 | 116.3 | ||||
| 210 | S | 38.9 | Very low | 40 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | cis | -175.6 | 166.4 | -25.8 | -80.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 211 | A | 41.9 | Very low | 40.1 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | cis | -151.7 | 148.1 | 6.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 212 | A | 34.1 | Very low | 40.2 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | 65.3 | 116.7 | 98.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 213 | T | 43.4 | Very low | 40 | Very low | 145 Ų | 145 | 121 Ų | 121 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -164.4 | 112.6 | 141.3 | -78 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 214 | T | 34.9 | Very low | 40 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -36.6 | 152.8 | 157.7 | -57.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 215 | M | 41.4 | Very low | 40.3 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | cis | 175.3 | -175.2 | -17.5 | -91.4 | -114.1 | -67.1 | 0 | 0 | 105.7 | ||||
| 216 | P | 43.7 | Very low | 40.3 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | -128.8 | -175.9 | -8.2 | 41.2 | -24.5 | 0 | 0 | 0 | 114.5 | ||||
| 217 | S | 41.8 | Very low | 40.4 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -89 | 156 | 177.2 | -34.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 218 | P | 52 | Low | 40.3 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -105.7 | 120.7 | 162 | 34.9 | -26.4 | 0 | 0 | 0 | 114 | ||||
| 219 | M | 52 | Low | 40.2 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 31.2 | 122.4 | 148.9 | -55.6 | -169.7 | 72.4 | 0 | 0 | 122.3 | ||||
| 220 | P | 39.9 | Very low | 40 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -86.2 | 132.6 | 142.8 | 34.1 | -28.1 | 0 | 0 | 0 | 110.4 | ||||
| 221 | N | 39.3 | Very low | 40 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -158.5 | 131 | 163 | -146.1 | -1.5 | 0 | 0 | 0 | 111.9 | ||||
| 222 | G | 38.3 | Very low | 40.2 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -176.7 | 32.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | L224 | G222-L224 PolarHBondContact O-N 2.94Š| ||
| 223 | N | 31.3 | Very low | 40.6 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -64.5 | 124.8 | 179.6 | -80.3 | -27 | 0 | 0 | 0 | 111.6 | ||||
| 224 | L | 37.8 | Very low | 40.7 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -115.7 | 133.2 | 150.6 | -76.3 | 175.7 | 0 | 0 | 0 | 109.1 | G222 | G222-L224 PolarHBondContact O-N 2.94Š| ||
| 225 | H | 38.3 | Very low | 41.1 | Very low | 134 Ų | 134 | 139 Ų | 139 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | trans | -92.6 | 130.6 | -158.6 | -164.6 | -46.1 | 0 | 0 | 0 | 111 | H227 | H225-H227 AromaticContact CD2-NE2 3.79Å; H225-H227 AromaticContact CG-CD2 3.84Å; H225-H227 AromaticContact CG-NE2 3.74Å; H225-H227 AromaticContact ND1-CD2 3.96Å; H225-H227 PolarHBondContact O-N 3.24Å; H225-H227 VanDerWaalsContact O-N 3.17Å | ||
| 226 | P | 36 | Very low | 41.1 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -69.7 | 110.2 | 164.3 | 28.7 | -31.1 | 0 | 0 | 0 | 108.1 | ||||
| 227 | H | 39.7 | Very low | 41.2 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -102.3 | 109 | 179.5 | -96.5 | -69.2 | 0 | 0 | 0 | 111.5 | H225 | H225-H227 AromaticContact CD2-NE2 3.79Å; H225-H227 AromaticContact CG-CD2 3.84Å; H225-H227 AromaticContact CG-NE2 3.74Å; H225-H227 AromaticContact ND1-CD2 3.96Å; H225-H227 PolarHBondContact O-N 3.24Å; H225-H227 VanDerWaalsContact O-N 3.17Å | ||
| 228 | D | 34.3 | Very low | 41 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -123.6 | 127.8 | 148.8 | -177.6 | 18.1 | 0 | 0 | 0 | 104.8 | Q230 | D228-Q230 PolarHBondContact OD1-N 3.44Š| ||
| 229 | P | 40.7 | Very low | 40.4 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 58% | 0.584 | 76% | 0.763 | S | S | * | * | -149.3 | 149.6 | 106.3 | 37.1 | -19.9 | 0 | 0 | 0 | 116.7 | |||||
| 230 | Q | 41 | Very low | 39.9 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 86.5 | 130.3 | 135.9 | -76.8 | 161.4 | 20.9 | 0 | 0 | 122.2 | D228 | D228-Q230 PolarHBondContact OD1-N 3.44Š| ||
| 231 | D | 38.8 | Very low | 39.7 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | trans | 54.4 | 94.9 | 147.3 | -76.2 | -62.6 | 0 | 0 | 0 | 120.3 | R233 | D231-R233 IonicContact OD1-NE 3.83Š| ||
| 232 | L | 44.8 | Very low | 39.5 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 95% | 0.948 | 77% | 0.767 | S | S | * | * | -137.1 | 155.9 | 115.7 | -138.3 | 71.8 | 0 | 0 | 0 | 110.9 | |||||
| 233 | R | 42.2 | Very low | 39.6 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -117.8 | 161.7 | -157.8 | -65.9 | 171.3 | 153.3 | -143.1 | -4.9 | 113.8 | D231 | D231-R233 IonicContact OD1-NE 3.83Š| ||
| 234 | H | 47.2 | Very low | 40 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | 72.8 | 124.9 | 169.1 | -44.8 | -72.6 | 0 | 0 | 0 | 113.8 | ||||
| 235 | N | 41.4 | Very low | 39.9 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | cis | -138.6 | 156 | 22.2 | -75 | -58.5 | 0 | 0 | 0 | 112.2 | ||||
| 236 | G | 41.5 | Very low | 39.8 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | -105 | 156.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 237 | N | 46.1 | Very low | 40 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -161.3 | 128.7 | 137.2 | -102.3 | -18.5 | 0 | 0 | 0 | 110.3 | ||||
| 238 | V | 37.7 | Very low | 40 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -123.1 | 138.1 | 171.1 | 172.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 239 | V | 40.3 | Very low | 40.5 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 174.3 | 105.7 | 139.9 | 149.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 240 | V | 40.6 | Very low | 40.7 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | trans | 37.8 | 115.1 | 130.8 | -174.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 241 | A | 36.5 | Very low | 40.7 | Very low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | 55 | 138.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 242 | G | 35.3 | Very low | 41 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 166 | 128.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 243 | R | 40.5 | Very low | 40.7 | Very low | 249 Ų | 249 | 145.5 Ų | 145.5 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | trans | -78.3 | 154.5 | 176.1 | -99.9 | -173 | 170.4 | -158.4 | -2.2 | 111.7 | ||||
| 244 | P | 39.7 | Very low | 40.7 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -80.3 | 157.1 | -165.6 | 33.1 | -37.5 | 0 | 0 | 0 | 113.8 | ||||
| 245 | N | 36.3 | Very low | 40.4 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -153.6 | 159.1 | 160.7 | -142.2 | -27.8 | 0 | 0 | 0 | 112.2 | ||||
| 246 | A | 34.5 | Very low | 40.1 | Very low | 87 Ų | 87 | 143.5 Ų | 143.5 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -90.4 | 163.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 247 | S | 40.7 | Very low | 39.8 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -166.3 | 149 | 170.4 | -86.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 248 | R | 40.1 | Very low | 39.6 | Very low | 217 Ų | 217 | 146.3 Ų | 146.3 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | cis | -158.2 | 140.6 | 1.4 | -106.9 | 161.2 | -162.1 | -151.3 | 1 | 106.9 | ||||
| 249 | V | 44.4 | Very low | 40.2 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 62.7 | 139.5 | 87 | 169 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 250 | P | 45.6 | Very low | 40.5 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -147.7 | 151.5 | 28.7 | 28.6 | -2.8 | 0 | 0 | 0 | 121.8 | ||||
| 251 | R | 41.5 | Very low | 40.6 | Very low | 235 Ų | 235 | 141.8 Ų | 141.8 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 68.5 | 165.7 | 137.7 | -63.5 | 170.8 | 176.3 | 177.1 | -3.6 | 118.5 | ||||
| 252 | R | 43.1 | Very low | 40.9 | Very low | 236 Ų | 236 | 141.5 Ų | 141.5 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | cis | -130.7 | 166.9 | 12.9 | -79.2 | -173.8 | 178.3 | -142.4 | 1.8 | 113.8 | ||||
| 253 | P | 39.2 | Very low | 41.4 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | trans | -113.6 | 173.5 | -177.1 | 42 | -33.3 | 0 | 0 | 0 | 115.1 | ||||
| 254 | I | 42.3 | Very low | 41.5 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 174.1 | 133.1 | 133.8 | -93.1 | 156.9 | 0 | 0 | 0 | 113.7 | ||||
| 255 | Q | 41.6 | Very low | 41.6 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | 19.4 | 156.2 | 142.4 | -39.1 | 177.3 | 48.1 | 0 | 0 | 121.3 | ||||
| 256 | K | 34.7 | Very low | 41.9 | Very low | 161 Ų | 161 | 142 Ų | 142 | 70% | 0.7 | 77% | 0.765 | S | S | * | * | cis | -172.9 | 154.9 | 16.4 | -140.9 | 170.7 | -174.2 | 152.4 | 0 | 113.1 | ||||
| 257 | T | 35.8 | Very low | 42.4 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 40.5 | 149.3 | 144.2 | 46.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 258 | Q | 40.4 | Very low | 42.4 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | cis | -170.4 | -165.7 | -20 | -123.9 | -148.2 | -12.4 | 0 | 0 | 110 | ||||
| 259 | P | 51.7 | Low | 42.4 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -108.3 | -163.4 | -154.9 | 48.1 | -39.1 | 0 | 0 | 0 | 114.4 | ||||
| 260 | P | 45.9 | Very low | 42.2 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -141.7 | -178.1 | 73.7 | 32.4 | -10.6 | 0 | 0 | 0 | 114 | |||||
| 261 | G | 41.9 | Very low | 42.2 | Very low | 64 Ų | 64 | 152.2 Ų | 152.2 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | cis | 156.2 | 175.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 262 | S | 43.9 | Very low | 42 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 74.6 | 145.1 | -177.8 | -59.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 263 | R | 45.1 | Very low | 41.6 | Very low | 225 Ų | 225 | 137.3 Ų | 137.3 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | cis | -161.6 | 172 | -2.6 | -109.5 | 161.2 | -129.3 | -164.3 | 2.2 | 107.5 | ||||
| 264 | R | 43.5 | Very low | 41.5 | Very low | 250 Ų | 250 | 140.5 Ų | 140.5 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | cis | -142.4 | -41.4 | 8.5 | -161.3 | -178.1 | -179.1 | -167.8 | 0.8 | 115.9 | ||||
| 265 | G | 41.4 | Very low | 41 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 161.3 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 266 | G | 43.2 | Very low | 40.9 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | cis | 169.9 | 176.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 267 | R | 44.1 | Very low | 41.1 | Very low | 235 Ų | 235 | 140.6 Ų | 140.6 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | 94.6 | 90.5 | 175.4 | -69 | -175.1 | 146 | -175.7 | -6.4 | 120.7 | ||||
| 268 | N | 41 | Very low | 41.6 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | 56.2 | 97.7 | 113.8 | -53.7 | 4.8 | 0 | 0 | 0 | 122.6 | |||||
| 269 | R | 41 | Very low | 41.9 | Very low | 245 Ų | 245 | 138.1 Ų | 138.1 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | 162.2 | 125.5 | 116.9 | -89.4 | -178.7 | 173.5 | -173.2 | -1.9 | 107.8 | |||||
| 270 | A | 40.1 | Very low | 41.3 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | cis | 88.5 | 124.6 | 44.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 271 | S | 44.8 | Very low | 41 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | 76.5 | 86.8 | 167.6 | -57.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 272 | G | 36.5 | Very low | 41.1 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | 92 | 151.8 | 127.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 273 | G | 35.5 | Very low | 40.6 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | 110 | 79.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 274 | L | 36.1 | Very low | 40.4 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | 56.5 | 140.8 | 141 | -59.4 | 170.9 | 0 | 0 | 0 | 122.2 | ||||
| 275 | C | 32.1 | Very low | 40.7 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | 89.7 | 153.8 | 146.1 | -138.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 276 | L | 39.9 | Very low | 41.2 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | 69.4 | 117.4 | 169.4 | -52.2 | -177.5 | 0 | 0 | 0 | 119.1 | ||||
| 277 | Q | 39.6 | Very low | 41.2 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 149.3 | 157.5 | -61 | 176.4 | 62.3 | 0 | 0 | 109.8 | ||
| 278 | P | 46.3 | Very low | 41.1 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 138 | 150.8 | 33.8 | -29 | 0 | 0 | 0 | 110.3 | ||
| 279 | P | 45.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 148.8 | 178.1 | 34.2 | -34 | 0 | 0 | 0 | 112.9 | ||
| 280 | D | 40.5 | Very low | 42.9 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 147.5 | 166.6 | -101 | -50 | 0 | 0 | 0 | 111.7 | ||
| 281 | G | 38.3 | Very low | 43.5 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 118.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 282 | G | 43.9 | Very low | 44.4 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | -108.5 | 136.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R284 | G282-R284 PolarHBondContact O-N 3Š| ||
| 283 | T | 34.3 | Very low | 45.9 | Very low | 149 Ų | 149 | 132 Ų | 132 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 122.9 | -179 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 284 | R | 39.6 | Very low | 47.7 | Very low | 221 Ų | 221 | 134.3 Ų | 134.3 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 128.2 | 169.7 | -89.8 | -171.9 | 166.8 | -147.5 | -8.2 | 111.3 | G282 | G282-R284 PolarHBondContact O-N 3Š|
| 285 | V | 51.4 | Low | 49.7 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 145.8 | 151.6 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | E287 | V285-E287 PolarHBondContact O-N 3.45Š|
| 286 | P | 51.4 | Low | 52.1 | Low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63 | 124.8 | 171.4 | -20.6 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 287 | E | 42.8 | Very low | 54.1 | Low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 125.8 | 169.6 | -177.2 | 178 | -169.9 | 0 | 0 | 108.3 | V285 | V285-E287 PolarHBondContact O-N 3.45Š|
| 288 | E | 41.6 | Very low | 56.1 | Low | 176 Ų | 176 | 126.7 Ų | 126.7 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 128.6 | 173.2 | -172.1 | 177.8 | 167.6 | 0 | 0 | 109 | ||
| 289 | P | 62.5 | Low | 57.9 | Low | 106 Ų | 106 | 125.2 Ų | 125.2 | 69% | 0.688 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 128.4 | -175.6 | 26.7 | -33.7 | 0 | 0 | 0 | 110.1 | A291 | P289-A291 PolarHBondContact O-N 3.15Š|
| 290 | P | 57.7 | Low | 59.6 | Low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 129.7 | 177.5 | 25.4 | -33.6 | 0 | 0 | 0 | 109.6 | ||
| 291 | A | 53.4 | Low | 62 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P289 | P289-A291 PolarHBondContact O-N 3.15Š|
| 292 | P | 64.4 | Low | 64.2 | Low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 135.5 | 180 | 24.7 | -33.9 | 0 | 0 | 0 | 109.7 | M294 | P292-M294 PolarHBondContact O-N 3.36Š|
| 293 | P | 66.2 | Low | 66 | Low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 125.2 | -177 | 24.5 | -33.4 | 0 | 0 | 0 | 109.7 | D295 | P293-D295 PolarHBondContact O-N 3.43Å; P293-D295 VanDerWaalsContact O-N 3.15Å |
| 294 | M | 73.7 | Confident | 68.4 | Low | 120 Ų | 120 | 124.7 Ų | 124.7 | 59% | 0.591 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 116.4 | 175.8 | -172.8 | 67.6 | 70.9 | 0 | 0 | 108.8 | P292 W296 | P292-M294 PolarHBondContact O-N 3.36Å; M294-W296 HydrophobicContact CB-CZ2 4.18Å; M294-W296 HydrophobicContact CG-CD2 4.26Å; M294-W296 HydrophobicContact CG-CE3 4.33Å; M294-W296 HydrophobicContact CG-CH2 4.27Å; M294-W296 HydrophobicContact CG-CZ2 4.19Å; M294-W296 HydrophobicContact CG-CZ3 4.34Å; M294-W296 VanDerWaalsContact O-CD1 3.26Å; M294-W296 PolarHBondContact O-N 2.97Å; M294-W296 PolarHBondContact O-NE1 2.92Å |
| 295 | D | 79.4 | Confident | 70.7 | Confident | 96 Ų | 96 | 116.1 Ų | 116.1 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | trans | -76.2 | 92.8 | 176.1 | -175.4 | -13.8 | 0 | 0 | 0 | 109.1 | P293 E297 A298 L299 | P293-D295 PolarHBondContact O-N 3.43Å; P293-D295 VanDerWaalsContact O-N 3.15Å; D295-E297 VanDerWaalsContact C-N 3.27Å; D295-E297 PolarHBondContact O-N 2.97Å; D295-E297 PolarHBondContact OD1-N 2.66Å; D295-E297 VanDerWaalsContact OD1-N 3.1Å; D295-A298 HydrophobicContact CB-CB 3.9Å; D295-A298 VanDerWaalsContact CG-CB 3.41Å; D295-A298 PolarHBondContact O-N 2.98Å; D295-A298 PolarHBondContact OD1-N 2.77Å; D295-A298 WeakPolarHBondContact OD2-CB 3.37Å; D295-L299 PolarHBondContact O-N 3.07Å | ||
| 296 | W | 82.2 | Confident | 72.2 | Confident | 169 Ų | 169 | 114.2 Ų | 114.2 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.9 | -31.5 | 178.8 | -59 | 105.1 | 0 | 0 | 0 | 112.2 | M294 L299 E300 | M294-W296 HydrophobicContact CB-CZ2 4.18Å; M294-W296 HydrophobicContact CG-CD2 4.26Å; M294-W296 HydrophobicContact CG-CE3 4.33Å; M294-W296 HydrophobicContact CG-CH2 4.27Å; M294-W296 HydrophobicContact CG-CZ2 4.19Å; M294-W296 HydrophobicContact CG-CZ3 4.34Å; M294-W296 VanDerWaalsContact O-CD1 3.26Å; M294-W296 PolarHBondContact O-N 2.97Å; M294-W296 PolarHBondContact O-NE1 2.92Å; W296-L299 HydrophobicContact CE3-CD2 3.92Å; W296-L299 HydrophobicContact CZ3-CD2 4.02Å; W296-L299 PolarHBondContact O-N 2.89Å; W296-E300 WeakPolarHBondContact O-CB 3.18Å; W296-E300 WeakPolarHBondContact O-CG 3.36Å; W296-E300 PolarHBondContact O-N 3.34Å |
| 297 | E | 81.8 | Confident | 73.4 | Confident | 159 Ų | 159 | 114.4 Ų | 114.4 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.7 | -40.7 | 176.9 | -61.9 | -176.8 | -168 | 0 | 0 | 110.8 | D295 K301 | D295-E297 VanDerWaalsContact C-N 3.27Å; D295-E297 PolarHBondContact O-N 2.97Å; D295-E297 PolarHBondContact OD1-N 2.66Å; D295-E297 VanDerWaalsContact OD1-N 3.1Å; E297-K301 WeakPolarHBondContact O-CB 3.34Å; E297-K301 PolarHBondContact O-N 3.22Å |
| 298 | A | 82.2 | Confident | 75 | Confident | 50 Ų | 50 | 114.5 Ų | 114.5 | 41% | 0.413 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.7 | -38.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D295 H302 | D295-A298 HydrophobicContact CB-CB 3.9Å; D295-A298 VanDerWaalsContact CG-CB 3.41Å; D295-A298 PolarHBondContact O-N 2.98Å; D295-A298 PolarHBondContact OD1-N 2.77Å; D295-A298 WeakPolarHBondContact OD2-CB 3.37Å; A298-H302 WeakPolarHBondContact O-CB 3.47Å; A298-H302 PolarHBondContact O-N 3.15Å |
| 299 | L | 83 | Confident | 76.9 | Confident | 87 Ų | 87 | 114.4 Ų | 114.4 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.7 | -50 | 176.6 | -167.2 | 87.5 | 0 | 0 | 0 | 111.6 | D295 W296 K301 H302 L303 | D295-L299 PolarHBondContact O-N 3.07Å; W296-L299 HydrophobicContact CE3-CD2 3.92Å; W296-L299 HydrophobicContact CZ3-CD2 4.02Å; W296-L299 PolarHBondContact O-N 2.89Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 3.47Å; L299-H302 PolarHBondContact O-N 3.23Å; L299-L303 WeakPolarHBondContact O-CB 3.29Å; L299-L303 PolarHBondContact O-N 3.23Å |
| 300 | E | 82.3 | Confident | 77.6 | Confident | 133 Ų | 133 | 114.9 Ų | 114.9 | 62% | 0.621 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.6 | -42.4 | 177.8 | -75.7 | 179.4 | -176.2 | 0 | 0 | 111.3 | W296 H302 L303 A304 | W296-E300 WeakPolarHBondContact O-CB 3.18Å; W296-E300 WeakPolarHBondContact O-CG 3.36Å; W296-E300 PolarHBondContact O-N 3.34Å; E300-H302 VanDerWaalsContact C-N 3.33Å; E300-H302 PolarHBondContact O-N 2.94Å; E300-L303 PolarHBondContact O-N 3.49Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.44Å |
| 301 | K | 89.5 | Confident | 78.3 | Confident | 170 Ų | 170 | 114.2 Ų | 114.2 | 74% | 0.739 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.2 | -37.4 | 174.7 | -176 | 175.6 | -179.2 | 177.1 | 0 | 112.7 | E297 L299 G305 | E297-K301 WeakPolarHBondContact O-CB 3.34Å; E297-K301 PolarHBondContact O-N 3.22Å; L299-K301 VanDerWaalsContact C-N 3.35Å; L299-K301 PolarHBondContact O-N 3.47Å; K301-G305 PolarHBondContact O-N 2.93Å |
| 302 | H | 84.3 | Confident | 79.3 | Confident | 127 Ų | 127 | 115.6 Ų | 115.6 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69 | -41.8 | 174.1 | -172.2 | 72 | 0 | 0 | 0 | 111.5 | A298 L299 E300 G305 L306 | A298-H302 WeakPolarHBondContact O-CB 3.47Å; A298-H302 PolarHBondContact O-N 3.15Å; L299-H302 PolarHBondContact O-N 3.23Å; E300-H302 VanDerWaalsContact C-N 3.33Å; E300-H302 PolarHBondContact O-N 2.94Å; H302-G305 PolarHBondContact O-N 3.08Å; H302-L306 WeakPolarHBondContact O-CG 3.38Å; H302-L306 PolarHBondContact O-N 2.87Å |
| 303 | L | 82.8 | Confident | 79.6 | Confident | 114 Ų | 114 | 114.2 Ų | 114.2 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -42.8 | 178.8 | -162 | 70.1 | 0 | 0 | 0 | 111.7 | L299 E300 L306 Q307 | L299-L303 WeakPolarHBondContact O-CB 3.29Å; L299-L303 PolarHBondContact O-N 3.23Å; E300-L303 PolarHBondContact O-N 3.49Å; L303-L306 PolarHBondContact O-N 3.28Å; L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 PolarHBondContact O-N 3.34Å |
| 304 | A | 84.6 | Confident | 79.4 | Confident | 39 Ų | 39 | 115.4 Ų | 115.4 | 32% | 0.322 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -43.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E300 L306 Q307 F308 | E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 3.44Å; A304-L306 VanDerWaalsContact C-N 3.33Å; A304-L306 PolarHBondContact O-N 3.38Å; A304-Q307 PolarHBondContact O-N 3.01Å; A304-F308 VanDerWaalsContact O-CD2 3.24Å; A304-F308 WeakPolarHBondContact O-CD2 3.28Å; A304-F308 PolarHBondContact O-N 3.08Å |
| 305 | G | 87.6 | Confident | 79 | Confident | 41 Ų | 41 | 114.1 Ų | 114.1 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -37.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K301 H302 R309 | K301-G305 PolarHBondContact O-N 2.93Å; H302-G305 PolarHBondContact O-N 3.08Å; G305-R309 WeakPolarHBondContact O-CB 3.4Å; G305-R309 PolarHBondContact O-N 2.95Å; G305-R309 VanDerWaalsContact O-N 3.14Å |
| 306 | L | 82.8 | Confident | 78.1 | Confident | 84 Ų | 84 | 115.4 Ų | 115.4 | 44% | 0.44 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.3 | -43.3 | 171.2 | -73.7 | 170.2 | 0 | 0 | 0 | 111.6 | H302 L303 A304 R309 E310 | H302-L306 WeakPolarHBondContact O-CG 3.38Å; H302-L306 PolarHBondContact O-N 2.87Å; L303-L306 PolarHBondContact O-N 3.28Å; A304-L306 VanDerWaalsContact C-N 3.33Å; A304-L306 PolarHBondContact O-N 3.38Å; L306-R309 PolarHBondContact O-N 3.28Å; L306-E310 PolarHBondContact O-N 3.39Å |
| 307 | Q | 76.1 | Confident | 76.6 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.7 | -43.6 | 178.4 | -173.6 | 177.5 | -6.8 | 0 | 0 | 112 | L303 A304 R309 E310 Q311 | L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 PolarHBondContact O-N 3.34Å; A304-Q307 PolarHBondContact O-N 3.01Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 3.23Å; Q307-E310 PolarHBondContact O-N 3.32Å; Q307-Q311 WeakPolarHBondContact O-CB 3.22Å; Q307-Q311 PolarHBondContact O-N 3.45Å |
| 308 | F | 78.1 | Confident | 75.1 | Confident | 161 Ų | 161 | 108.7 Ų | 108.7 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.1 | -41.3 | 172 | -86.3 | -68.9 | 0 | 0 | 0 | 111.6 | A304 Q311 E312 | A304-F308 VanDerWaalsContact O-CD2 3.24Å; A304-F308 WeakPolarHBondContact O-CD2 3.28Å; A304-F308 PolarHBondContact O-N 3.08Å; F308-Q311 PolarHBondContact O-N 3.49Å; F308-E312 VanDerWaalsContact O-CB 3.3Å; F308-E312 WeakPolarHBondContact O-CB 3.2Å; F308-E312 PolarHBondContact O-N 3Å |
| 309 | R | 80.4 | Confident | 73.4 | Confident | 175 Ų | 175 | 110.3 Ų | 110.3 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -36.2 | 176.9 | -168.3 | 177.6 | -178.7 | -157.6 | -1.9 | 112.9 | G305 L306 Q307 E312 V313 | G305-R309 WeakPolarHBondContact O-CB 3.4Å; G305-R309 PolarHBondContact O-N 2.95Å; G305-R309 VanDerWaalsContact O-N 3.14Å; L306-R309 PolarHBondContact O-N 3.28Å; Q307-R309 VanDerWaalsContact C-N 3.28Å; Q307-R309 PolarHBondContact O-N 3.23Å; R309-E312 PolarHBondContact O-N 3.41Å; R309-V313 WeakPolarHBondContact O-CB 3.45Å; R309-V313 VanDerWaalsContact O-CG2 3.25Å; R309-V313 WeakPolarHBondContact O-CG2 3.4Å; R309-V313 PolarHBondContact O-N 2.95Å |
| 310 | E | 76.5 | Confident | 71.5 | Confident | 116 Ų | 116 | 115 Ų | 115 | 54% | 0.542 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.6 | -37.3 | 174.8 | -165.7 | -178.2 | 137.1 | 0 | 0 | 111.5 | L306 Q307 V313 R314 | L306-E310 PolarHBondContact O-N 3.39Å; Q307-E310 PolarHBondContact O-N 3.32Å; E310-V313 PolarHBondContact O-N 3.2Å; E310-R314 PolarHBondContact O-N 2.92Å; E310-R314 IonicContact OE1-CZ 3.77Å; E310-R314 IonicContact OE1-NH1 3.96Å; E310-R314 PolarHBondContact OE1-NH1 2.91Å; E310-R314 IonicContact OE1-NH2 3.38Å |
| 311 | Q | 73.6 | Confident | 69.6 | Low | 103 Ų | 103 | 113.4 Ų | 113.4 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -45.5 | 171.9 | -163.3 | 94 | 39.9 | 0 | 0 | 111 | Q307 F308 V313 R314 N315 | Q307-Q311 WeakPolarHBondContact O-CB 3.22Å; Q307-Q311 PolarHBondContact O-N 3.45Å; F308-Q311 PolarHBondContact O-N 3.49Å; Q311-V313 PolarHBondContact O-N 2.92Å; Q311-R314 WeakPolarHBondContact O-CB 3.47Å; Q311-R314 PolarHBondContact O-N 2.94Å; Q311-N315 PolarHBondContact O-N 3.15Å; Q311-N315 PolarHBondContact O-OD1 3.27Å; Q311-N315 VanDerWaalsContact O-OD1 3.1Å |
| 312 | E | 73.1 | Confident | 67.5 | Low | 113 Ų | 113 | 112.4 Ų | 112.4 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 177 | -175.6 | 171.9 | -138.1 | 0 | 0 | 112.1 | F308 R309 N315 Q316 | F308-E312 VanDerWaalsContact O-CB 3.3Å; F308-E312 WeakPolarHBondContact O-CB 3.2Å; F308-E312 PolarHBondContact O-N 3Å; R309-E312 PolarHBondContact O-N 3.41Å; E312-N315 PolarHBondContact O-N 3.2Å; E312-Q316 WeakPolarHBondContact O-CB 3.26Å; E312-Q316 WeakPolarHBondContact O-CG 3.5Å; E312-Q316 PolarHBondContact O-N 3.25Å |
| 313 | V | 70.8 | Confident | 65.8 | Low | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.9 | -35.4 | 172.6 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | R309 E310 Q311 G317 | R309-V313 WeakPolarHBondContact O-CB 3.45Å; R309-V313 VanDerWaalsContact O-CG2 3.25Å; R309-V313 WeakPolarHBondContact O-CG2 3.4Å; R309-V313 PolarHBondContact O-N 2.95Å; E310-V313 PolarHBondContact O-N 3.2Å; Q311-V313 PolarHBondContact O-N 2.92Å; V313-G317 PolarHBondContact O-N 3.12Å |
| 314 | R | 63.5 | Low | 64.2 | Low | 149 Ų | 149 | 108.3 Ų | 108.3 | 56% | 0.562 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.2 | -49.1 | 169.7 | -86.4 | -170.2 | 171.3 | 83.7 | 0.4 | 111.5 | E310 Q311 Q316 G317 Q318 | E310-R314 PolarHBondContact O-N 2.92Å; E310-R314 IonicContact OE1-CZ 3.77Å; E310-R314 IonicContact OE1-NH1 3.96Å; E310-R314 PolarHBondContact OE1-NH1 2.91Å; E310-R314 IonicContact OE1-NH2 3.38Å; Q311-R314 WeakPolarHBondContact O-CB 3.47Å; Q311-R314 PolarHBondContact O-N 2.94Å; R314-Q316 VanDerWaalsContact C-N 3.33Å; R314-Q316 PolarHBondContact O-N 3.27Å; R314-G317 CarbonylContact O-C 3.53Å; R314-G317 WeakPolarHBondContact O-CA 3.34Å; R314-G317 PolarHBondContact O-N 2.89Å; R314-Q318 PolarHBondContact O-N 2.94Å |
| 315 | N | 64.1 | Low | 62.7 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -38.7 | -179.3 | -65.3 | 5.4 | 0 | 0 | 0 | 111.7 | Q311 E312 | Q311-N315 PolarHBondContact O-N 3.15Å; Q311-N315 PolarHBondContact O-OD1 3.27Å; Q311-N315 VanDerWaalsContact O-OD1 3.1Å; E312-N315 PolarHBondContact O-N 3.2Å |
| 316 | Q | 61.7 | Low | 60.7 | Low | 123 Ų | 123 | 110.8 Ų | 110.8 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.5 | -25.6 | 171.8 | -69.9 | -177.3 | 41.8 | 0 | 0 | 113.1 | E312 R314 A319 | E312-Q316 WeakPolarHBondContact O-CB 3.26Å; E312-Q316 WeakPolarHBondContact O-CG 3.5Å; E312-Q316 PolarHBondContact O-N 3.25Å; R314-Q316 VanDerWaalsContact C-N 3.33Å; R314-Q316 PolarHBondContact O-N 3.27Å; Q316-A319 PolarHBondContact O-N 3.48Å |
| 317 | G | 50 | Low | 59.5 | Low | 39 Ų | 39 | 113.4 Ų | 113.4 | 40% | 0.402 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.5 | -36.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V313 R314 A319 R320 | V313-G317 PolarHBondContact O-N 3.12Å; R314-G317 CarbonylContact O-C 3.53Å; R314-G317 WeakPolarHBondContact O-CA 3.34Å; R314-G317 PolarHBondContact O-N 2.89Å; G317-A319 PolarHBondContact O-N 3.43Å; G317-R320 CarbonylContact O-C 3.53Å; G317-R320 WeakPolarHBondContact O-CA 3.36Å; G317-R320 PolarHBondContact O-N 3.48Å |
| 318 | Q | 49.3 | Very low | 58.8 | Low | 148 Ų | 148 | 115 Ų | 115 | 69% | 0.692 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.8 | -25.8 | 172.3 | -70.7 | 178.1 | -80.6 | 0 | 0 | 112.4 | R314 R320 | R314-Q318 PolarHBondContact O-N 2.94Å; Q318-R320 PolarHBondContact O-N 3.05Å |
| 319 | A | 47 | Very low | 58.2 | Low | 85 Ų | 85 | 113 Ų | 113 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 9.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q316 G317 | Q316-A319 PolarHBondContact O-N 3.48Å; G317-A319 PolarHBondContact O-N 3.43Å |
| 320 | R | 44.3 | Very low | 58.1 | Low | 185 Ų | 185 | 110.5 Ų | 110.5 | 70% | 0.698 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.5 | 33.3 | -176.6 | -72.9 | -164.1 | 167.6 | -126.5 | -4.3 | 114.1 | G317 Q318 N322 S323 | G317-R320 CarbonylContact O-C 3.53Å; G317-R320 WeakPolarHBondContact O-CA 3.36Å; G317-R320 PolarHBondContact O-N 3.48Å; Q318-R320 PolarHBondContact O-N 3.05Å; R320-N322 PolarHBondContact O-N 3.12Å; R320-S323 WeakPolarHBondContact O-CB 3.33Å; R320-S323 PolarHBondContact O-N 3.36Å; R320-S323 PolarHBondContact O-OG 3.48Å |
| 321 | T | 42.6 | Very low | 58.2 | Low | 99 Ų | 99 | 112.3 Ų | 112.3 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -45.9 | -33.9 | 174.5 | 43.5 | 0 | 0 | 0 | 0 | 114.3 | S323 | T321-S323 PolarHBondContact O-N 2.89Š|
| 322 | N | 44.4 | Very low | 58.2 | Low | 149 Ų | 149 | 111.4 Ų | 111.4 | 80% | 0.797 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -65.9 | 3 | 177.5 | -63.7 | -12 | 0 | 0 | 0 | 115.7 | R320 | R320-N322 PolarHBondContact O-N 3.12Š|
| 323 | S | 48.4 | Very low | 58.2 | Low | 62 Ų | 62 | 109.3 Ų | 109.3 | 43% | 0.434 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -89.7 | -12.3 | -175.3 | -48.1 | 0 | 0 | 0 | 0 | 114.7 | R320 T321 S325 A326 | R320-S323 WeakPolarHBondContact O-CB 3.33Å; R320-S323 PolarHBondContact O-N 3.36Å; R320-S323 PolarHBondContact O-OG 3.48Å; T321-S323 PolarHBondContact O-N 2.89Å; S323-S325 VanDerWaalsContact C-N 3.34Å; S323-S325 PolarHBondContact O-N 2.94Å; S323-A326 PolarHBondContact O-N 3.35Å |
| 324 | T | 49.3 | Very low | 58.4 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 58% | 0.577 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70 | -25.5 | -171.2 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | K328 | T324-K328 PolarHBondContact O-N 3.27Å |
| 325 | S | 52.4 | Low | 59.4 | Low | 76 Ų | 76 | 107.9 Ų | 107.9 | 53% | 0.531 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -35.8 | 175.4 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | S323 K328 N329 | S323-S325 VanDerWaalsContact C-N 3.34Å; S323-S325 PolarHBondContact O-N 2.94Å; S325-K328 PolarHBondContact O-N 2.93Å; S325-N329 PolarHBondContact O-N 3.5Å |
| 326 | A | 46.2 | Very low | 60.1 | Low | 55 Ų | 55 | 108.3 Ų | 108.3 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S323 K328 N329 E330 | S323-A326 PolarHBondContact O-N 3.35Å; A326-K328 VanDerWaalsContact C-N 3.34Å; A326-K328 PolarHBondContact O-N 3.04Å; A326-N329 WeakPolarHBondContact O-CB 3.29Å; A326-N329 PolarHBondContact O-N 3.4Å; A326-N329 VanDerWaalsContact O-N 3.16Å; A326-E330 PolarHBondContact O-N 3.26Å |
| 327 | Q | 57.7 | Low | 61 | Low | 139 Ų | 139 | 109.1 Ų | 109.1 | 65% | 0.65 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.7 | -28.9 | -178.2 | -155.7 | 174.6 | 16.8 | 0 | 0 | 112.9 | E330 R331 | Q327-E330 PolarHBondContact O-N 3.02Å; Q327-R331 PolarHBondContact O-N 3.29Å |
| 328 | K | 60.4 | Low | 62.2 | Low | 162 Ų | 162 | 113.7 Ų | 113.7 | 70% | 0.704 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.7 | -41.8 | 169.4 | -70.8 | -178.6 | 178.8 | -179.7 | 0 | 111.4 | T324 S325 A326 R331 E332 | T324-K328 PolarHBondContact O-N 3.27Å; S325-K328 PolarHBondContact O-N 2.93Å; A326-K328 VanDerWaalsContact C-N 3.34Å; A326-K328 PolarHBondContact O-N 3.04Å; K328-R331 PolarHBondContact O-N 3.25Å; K328-E332 PolarHBondContact O-N 3.18Å |
| 329 | N | 66.3 | Low | 63 | Low | 120 Ų | 120 | 110.8 Ų | 110.8 | 64% | 0.642 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.4 | -36.1 | 172.2 | -78.4 | -31.5 | 0 | 0 | 0 | 112.5 | S325 A326 S333 | S325-N329 PolarHBondContact O-N 3.5Å; A326-N329 WeakPolarHBondContact O-CB 3.29Å; A326-N329 PolarHBondContact O-N 3.4Å; A326-N329 VanDerWaalsContact O-N 3.16Å; N329-S333 WeakPolarHBondContact O-CB 3.49Å; N329-S333 PolarHBondContact O-N 3.16Å |
| 330 | E | 79.4 | Confident | 63.7 | Low | 121 Ų | 121 | 113.4 Ų | 113.4 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.9 | -43.4 | 174.2 | -72.9 | -174 | 149.9 | 0 | 0 | 112.3 | A326 Q327 E332 S333 I334 | A326-E330 PolarHBondContact O-N 3.26Å; Q327-E330 PolarHBondContact O-N 3.02Å; E330-E332 VanDerWaalsContact C-N 3.32Å; E330-E332 PolarHBondContact O-N 3.38Å; E330-S333 PolarHBondContact O-N 3.35Å; E330-I334 WeakPolarHBondContact O-CB 3.16Å; E330-I334 WeakPolarHBondContact O-CD1 3.4Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 2.86Å |
| 331 | R | 77.8 | Confident | 64 | Low | 155 Ų | 155 | 107.2 Ų | 107.2 | 59% | 0.585 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.6 | -46.3 | 176.7 | -171.4 | -175.5 | -173.3 | -142.1 | 8.5 | 111.4 | Q327 K328 I334 R335 | Q327-R331 PolarHBondContact O-N 3.29Å; K328-R331 PolarHBondContact O-N 3.25Å; R331-I334 PolarHBondContact O-N 3.43Å; R331-R335 PolarHBondContact O-N 3.3Å; R331-R335 VanDerWaalsContact O-N 3.07Å |
| 332 | E | 72.6 | Confident | 64.5 | Low | 84 Ų | 84 | 107 Ų | 107 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.2 | -41.1 | -179.6 | -177.2 | 51.9 | -151.5 | 0 | 0 | 112.4 | K328 E330 I334 R335 Q336 | K328-E332 PolarHBondContact O-N 3.18Å; E330-E332 VanDerWaalsContact C-N 3.32Å; E330-E332 PolarHBondContact O-N 3.38Å; E332-I334 VanDerWaalsContact C-N 3.25Å; E332-I334 PolarHBondContact O-N 3.12Å; E332-R335 WeakPolarHBondContact O-CB 3.27Å; E332-R335 PolarHBondContact O-N 2.94Å; E332-R335 VanDerWaalsContact O-N 3.15Å; E332-R335 WeakPolarHBondContact OE2-CD 3.15Å; E332-R335 IonicContact OE2-NE 3.14Å; E332-Q336 WeakPolarHBondContact O-CG 3.19Å; E332-Q336 PolarHBondContact O-N 3.3Å; E332-Q336 WeakPolarHBondContact OE1-CG 3.29Å; E332-Q336 PolarHBondContact OE1-NE2 3.5Å |
| 333 | S | 73.9 | Confident | 64.8 | Low | 68 Ų | 68 | 107.9 Ų | 107.9 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.5 | -38 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | N329 E330 K337 | N329-S333 WeakPolarHBondContact O-CB 3.49Å; N329-S333 PolarHBondContact O-N 3.16Å; E330-S333 PolarHBondContact O-N 3.35Å; S333-K337 WeakPolarHBondContact O-CB 3.33Å; S333-K337 PolarHBondContact O-N 2.86Å |
| 334 | I | 75.2 | Confident | 64.8 | Low | 99 Ų | 99 | 113.8 Ų | 113.8 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.4 | -44.8 | 174.6 | -69.6 | 163.3 | 0 | 0 | 0 | 111.1 | E330 R331 E332 Q336 K337 L338 | E330-I334 WeakPolarHBondContact O-CB 3.16Å; E330-I334 WeakPolarHBondContact O-CD1 3.4Å; E330-I334 WeakPolarHBondContact O-CG1 3.49Å; E330-I334 PolarHBondContact O-N 2.86Å; R331-I334 PolarHBondContact O-N 3.43Å; E332-I334 VanDerWaalsContact C-N 3.25Å; E332-I334 PolarHBondContact O-N 3.12Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 2.81Å; I334-K337 PolarHBondContact O-N 2.58Å; I334-L338 HydrophobicContact CG2-CD1 3.88Å; I334-L338 HydrophobicContact CG2-CG 4.44Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.29Å; I334-L338 WeakPolarHBondContact O-CG 3.36Å; I334-L338 PolarHBondContact O-N 2.93Å |
| 335 | R | 84 | Confident | 64.7 | Low | 111 Ų | 111 | 116.5 Ų | 116.5 | 42% | 0.419 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -54.9 | -50.1 | 172.8 | -70 | -167.8 | -164.6 | -102.1 | 18.7 | 110.9 | R331 E332 L338 A339 | R331-R335 PolarHBondContact O-N 3.3Å; R331-R335 VanDerWaalsContact O-N 3.07Å; E332-R335 WeakPolarHBondContact O-CB 3.27Å; E332-R335 PolarHBondContact O-N 2.94Å; E332-R335 VanDerWaalsContact O-N 3.15Å; E332-R335 WeakPolarHBondContact OE2-CD 3.15Å; E332-R335 IonicContact OE2-NE 3.14Å; R335-L338 PolarHBondContact O-N 3.47Å; R335-A339 WeakPolarHBondContact O-CB 3.45Å; R335-A339 PolarHBondContact O-N 3.19Å |
| 336 | Q | 80.3 | Confident | 64.5 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.7 | -40.6 | -179.5 | -68 | 177.7 | 14.4 | 0 | 0 | 112.4 | E332 I334 L338 A339 L340 | E332-Q336 WeakPolarHBondContact O-CG 3.19Å; E332-Q336 PolarHBondContact O-N 3.3Å; E332-Q336 WeakPolarHBondContact OE1-CG 3.29Å; E332-Q336 PolarHBondContact OE1-NE2 3.5Å; I334-Q336 VanDerWaalsContact C-N 3.34Å; I334-Q336 PolarHBondContact O-N 2.81Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.25Å; Q336-A339 PolarHBondContact O-N 2.66Å; Q336-L340 VanDerWaalsContact O-CB 3.27Å; Q336-L340 WeakPolarHBondContact O-CB 3.22Å; Q336-L340 WeakPolarHBondContact O-CG 3.46Å; Q336-L340 PolarHBondContact O-N 3.22Å |
| 337 | K | 79.7 | Confident | 64.4 | Low | 140 Ų | 140 | 120.5 Ų | 120.5 | 61% | 0.609 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.8 | -31 | 178.5 | -172.3 | 172.6 | -177 | 176.7 | 0 | 113.1 | S333 I334 G341 S342 | S333-K337 WeakPolarHBondContact O-CB 3.33Å; S333-K337 PolarHBondContact O-N 2.86Å; I334-K337 PolarHBondContact O-N 2.58Å; K337-G341 PolarHBondContact O-N 3.48Å; K337-S342 PolarHBondContact O-N 3.26Å |
| 338 | L | 74.9 | Confident | 63.6 | Low | 134 Ų | 134 | 120.3 Ų | 120.3 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.6 | -48.1 | 171.5 | -69.1 | 168.7 | 0 | 0 | 0 | 111.2 | I334 R335 Q336 L340 G341 | I334-L338 HydrophobicContact CG2-CD1 3.88Å; I334-L338 HydrophobicContact CG2-CG 4.44Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.29Å; I334-L338 WeakPolarHBondContact O-CG 3.36Å; I334-L338 PolarHBondContact O-N 2.93Å; R335-L338 PolarHBondContact O-N 3.47Å; Q336-L338 VanDerWaalsContact C-N 3.33Å; Q336-L338 PolarHBondContact O-N 3.25Å; L338-L340 VanDerWaalsContact C-N 3.33Å; L338-L340 PolarHBondContact O-N 2.9Å; L338-G341 PolarHBondContact O-N 2.89Å; L338-G341 VanDerWaalsContact O-N 3.11Å |
| 339 | A | 66.1 | Low | 62.8 | Low | 87 Ų | 87 | 116.1 Ų | 116.1 | 72% | 0.719 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.2 | -33.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R335 Q336 | R335-A339 WeakPolarHBondContact O-CB 3.45Å; R335-A339 PolarHBondContact O-N 3.19Å; Q336-A339 PolarHBondContact O-N 2.66Å |
| 340 | L | 62.8 | Low | 61.7 | Low | 141 Ų | 141 | 118.2 Ų | 118.2 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 4.3 | 175.7 | -61.8 | 172 | 0 | 0 | 0 | 113.3 | Q336 L338 S342 | Q336-L340 VanDerWaalsContact O-CB 3.27Å; Q336-L340 WeakPolarHBondContact O-CB 3.22Å; Q336-L340 WeakPolarHBondContact O-CG 3.46Å; Q336-L340 PolarHBondContact O-N 3.22Å; L338-L340 VanDerWaalsContact C-N 3.33Å; L338-L340 PolarHBondContact O-N 2.9Å; L340-S342 PolarHBondContact O-N 3.22Å |
| 341 | G | 50.4 | Low | 59.9 | Low | 54 Ų | 54 | 122.9 Ų | 122.9 | 56% | 0.557 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.1 | 38.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | K337 L338 F343 | K337-G341 PolarHBondContact O-N 3.48Å; L338-G341 PolarHBondContact O-N 2.89Å; L338-G341 VanDerWaalsContact O-N 3.11Å; G341-F343 VanDerWaalsContact C-N 3.28Å; G341-F343 PolarHBondContact O-N 3.19Å |
| 342 | S | 52.7 | Low | 57.9 | Low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 19.5 | 59 | 179.8 | 74.6 | 0 | 0 | 0 | 0 | 117 | K337 L340 | K337-S342 PolarHBondContact O-N 3.26Å; L340-S342 PolarHBondContact O-N 3.22Å |
| 343 | F | 49.6 | Very low | 56.2 | Low | 168 Ų | 168 | 122 Ų | 122 | 74% | 0.737 | 69% | 0.687 | S | S | * | * | trans | -89.4 | 141.4 | 162.1 | -146.9 | -99.6 | 0 | 0 | 0 | 107.4 | G341 | G341-F343 VanDerWaalsContact C-N 3.28Å; G341-F343 PolarHBondContact O-N 3.19Å | ||
| 344 | F | 49.8 | Very low | 54.4 | Low | 186 Ų | 186 | 124.7 Ų | 124.7 | 82% | 0.816 | 70% | 0.704 | S | S | * | * | trans | 71.6 | 77.1 | -163.7 | -50.7 | -76.9 | 0 | 0 | 0 | 114.3 | ||||
| 345 | D | 47.6 | Very low | 53.1 | Low | 152 Ų | 152 | 125.5 Ų | 125.5 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -71.7 | 128.3 | 145.6 | 174 | 60.3 | 0 | 0 | 0 | 108.3 | ||||
| 346 | D | 47.9 | Very low | 51.1 | Low | 162 Ų | 162 | 130.7 Ų | 130.7 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -112.9 | 34.2 | -171.4 | -146.7 | 6.1 | 0 | 0 | 0 | 113.4 | ||||
| 347 | G | 43.9 | Very low | 49.3 | Very low | 52 Ų | 52 | 130.7 Ų | 130.7 | 54% | 0.536 | 76% | 0.755 | S | S | . | * | trans | 71.2 | -161.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 348 | P | 41.3 | Very low | 47.7 | Very low | 135 Ų | 135 | 128 Ų | 128 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | cis | -117.7 | 121.4 | -0.7 | 35.4 | -20.9 | 0 | 0 | 0 | 113.5 | ||||
| 349 | G | 41.7 | Very low | 46.8 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | -151.3 | 47.3 | -163.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 350 | I | 44.8 | Very low | 46.5 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | 38.2 | 81.1 | 154.8 | -39.3 | 177.8 | 0 | 0 | 0 | 117.9 | ||||
| 351 | Y | 41.3 | Very low | 46.6 | Very low | 219 Ų | 219 | 126.3 Ų | 126.3 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | -155 | 143.2 | 124.9 | -140.8 | -100.9 | 0 | 0 | 0 | 112.9 | |||||
| 352 | T | 35.7 | Very low | 47.1 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | -108.9 | 167.2 | -176.3 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 353 | S | 36.6 | Very low | 47.8 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 67.4 | 83.6 | 158.8 | 61.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 354 | C | 36.7 | Very low | 48.5 | Very low | 124 Ų | 124 | 123 Ų | 123 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | -130.4 | 106.4 | 137.4 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 355 | S | 46.7 | Very low | 49.1 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | 40.4 | 92.3 | 152.6 | -57.8 | 0 | 0 | 0 | 0 | 120.6 | S357 | S355-S357 PolarHBondContact O-N 3.22Å; S355-S357 VanDerWaalsContact O-N 3.07Å | ||
| 356 | K | 42.4 | Very low | 49.8 | Very low | 221 Ų | 221 | 120 Ų | 120 | 96% | 0.961 | 71% | 0.71 | S | S | * | * | trans | -3.7 | 93.9 | 145.4 | -62.8 | 177 | 178.3 | 178.7 | 0 | 116 | ||||
| 357 | S | 43.3 | Very low | 50.5 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | trans | -143.7 | 87.8 | 162 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | S355 K359 | S355-S357 PolarHBondContact O-N 3.22Å; S355-S357 VanDerWaalsContact O-N 3.07Å; S357-K359 PolarHBondContact O-N 3.46Å | ||
| 358 | G | 45.3 | Very low | 51.4 | Low | 83 Ų | 83 | 122.6 Ų | 122.6 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | -73.2 | 93.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 359 | K | 57.1 | Low | 51.7 | Low | 182 Ų | 182 | 118.2 Ų | 118.2 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 130 | 163.4 | -64.8 | 176.5 | -177.7 | 175.2 | 0 | 108.1 | S357 | S357-K359 PolarHBondContact O-N 3.46Š|
| 360 | P | 58.1 | Low | 52.2 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 46% | 0.455 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -64 | 144.3 | 178.7 | 26.1 | -33.9 | 0 | 0 | 0 | 110.9 | A364 | P360-A364 HydrophobicContact CB-CB 4.08Š|
| 361 | S | 66.5 | Low | 52.8 | Low | 75 Ų | 75 | 122.9 Ų | 122.9 | 52% | 0.524 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -51.4 | 151.3 | 170.2 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | S363 A364 R365 | S361-S363 PolarHBondContact O-N 3.29Å; S361-S363 PolarHBondContact OG-N 3.04Å; S361-A364 WeakPolarHBondContact O-CA 3.39Å; S361-A364 WeakPolarHBondContact O-CB 3.26Å; S361-A364 PolarHBondContact O-N 2.91Å; S361-R365 PolarHBondContact O-N 2.92Å |
| 362 | L | 61 | Low | 53.7 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -52.7 | -41.1 | 174.1 | -68.3 | 175.5 | 0 | 0 | 0 | 111.3 | A364 R365 L366 | L362-A364 VanDerWaalsContact C-N 3.34Å; L362-A364 PolarHBondContact O-N 3.2Å; L362-R365 PolarHBondContact O-N 3Å; L362-L366 WeakPolarHBondContact O-CB 3.38Å; L362-L366 VanDerWaalsContact O-CG 3.27Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 3.08Å |
| 363 | S | 66.9 | Low | 55.1 | Low | 73 Ų | 73 | 122.5 Ų | 122.5 | 51% | 0.51 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -60.9 | -39.8 | 175.3 | -45 | 0 | 0 | 0 | 0 | 112.8 | S361 L366 Q367 | S361-S363 PolarHBondContact O-N 3.29Å; S361-S363 PolarHBondContact OG-N 3.04Å; S363-L366 PolarHBondContact O-N 2.97Å; S363-Q367 WeakPolarHBondContact O-CB 3.39Å; S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.36Å; S363-Q367 PolarHBondContact O-N 2.98Å |
| 364 | A | 63.5 | Low | 56.7 | Low | 42 Ų | 42 | 123.6 Ų | 123.6 | 35% | 0.347 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -73.1 | -30.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P360 S361 L362 S368 | P360-A364 HydrophobicContact CB-CB 4.08Å; S361-A364 WeakPolarHBondContact O-CA 3.39Å; S361-A364 WeakPolarHBondContact O-CB 3.26Å; S361-A364 PolarHBondContact O-N 2.91Å; L362-A364 VanDerWaalsContact C-N 3.34Å; L362-A364 PolarHBondContact O-N 3.2Å; A364-S368 PolarHBondContact O-N 3.4Å; A364-S368 PolarHBondContact O-OG 3.4Å |
| 365 | R | 62.9 | Low | 58.2 | Low | 152 Ų | 152 | 123 Ų | 123 | 57% | 0.574 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.1 | -34.5 | 172.6 | -180 | 167.9 | -78 | 178.5 | -7.2 | 112.1 | S361 L362 G369 | S361-R365 PolarHBondContact O-N 2.92Å; L362-R365 PolarHBondContact O-N 3Å; R365-G369 WeakPolarHBondContact O-CA 3.34Å; R365-G369 PolarHBondContact O-N 3.21Å |
| 366 | L | 63.3 | Low | 59 | Low | 125 Ų | 125 | 125.9 Ų | 125.9 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -71.3 | -39.2 | 172.8 | -70.6 | 165.8 | 0 | 0 | 0 | 111.8 | L362 S363 S368 | L362-L366 WeakPolarHBondContact O-CB 3.38Å; L362-L366 VanDerWaalsContact O-CG 3.27Å; L362-L366 WeakPolarHBondContact O-CG 3.46Å; L362-L366 PolarHBondContact O-N 3.08Å; S363-L366 PolarHBondContact O-N 2.97Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.45Å |
| 367 | Q | 61.3 | Low | 60.2 | Low | 175 Ų | 175 | 120.6 Ų | 120.6 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.3 | -13.1 | 177.5 | -74.7 | 176.7 | -17.7 | 0 | 0 | 114.8 | S363 | S363-Q367 WeakPolarHBondContact O-CB 3.39Å; S363-Q367 VanDerWaalsContact O-CG 3.3Å; S363-Q367 WeakPolarHBondContact O-CG 3.36Å; S363-Q367 PolarHBondContact O-N 2.98Å |
| 368 | S | 62.8 | Low | 61.3 | Low | 93 Ų | 93 | 122.1 Ų | 122.1 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -116.4 | -6.4 | 176.5 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | A364 L366 M370 | A364-S368 PolarHBondContact O-N 3.4Å; A364-S368 PolarHBondContact O-OG 3.4Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.45Å; S368-M370 PolarHBondContact O-N 2.9Å; S368-M370 VanDerWaalsContact O-N 3.15Å |
| 369 | G | 47.2 | Very low | 62 | Low | 42 Ų | 42 | 125.2 Ų | 125.2 | 43% | 0.433 | 67% | 0.673 | S | S | . | * | trans | -84.2 | 78.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | R365 N371 | R365-G369 WeakPolarHBondContact O-CA 3.34Å; R365-G369 PolarHBondContact O-N 3.21Å; G369-N371 PolarHBondContact O-N 2.73Å | ||
| 370 | M | 53.2 | Low | 61.8 | Low | 177 Ų | 177 | 121.7 Ų | 121.7 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 14.9 | -172 | -163.9 | 155.1 | 63.6 | 0 | 0 | 116.6 | S368 | S368-M370 PolarHBondContact O-N 2.9Å; S368-M370 VanDerWaalsContact O-N 3.15Å |
| 371 | N | 57.6 | Low | 61.7 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.2 | 33.8 | -175.4 | -69.2 | -70.2 | 0 | 0 | 0 | 114.2 | G369 | G369-N371 PolarHBondContact O-N 2.73Š|
| 372 | L | 60.2 | Low | 60.9 | Low | 146 Ų | 146 | 124.4 Ų | 124.4 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | trans | -125.2 | 76.3 | 169.7 | -159.7 | 74.5 | 0 | 0 | 0 | 111.3 | ||||
| 373 | Q | 65.1 | Low | 60.9 | Low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | trans | -77.1 | 120.1 | 173.3 | -176.1 | 171.2 | -5.5 | 0 | 0 | 109.3 | C375 | Q373-C375 PolarHBondContact O-N 2.88Š| ||
| 374 | I | 69.8 | Low | 60.4 | Low | 133 Ų | 133 | 130.8 Ų | 130.8 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | -70.6 | 117 | 172.4 | -60 | 172.6 | 0 | 0 | 0 | 107.6 | F376 | I374-F376 HydrophobicContact CG2-CE2 4.37Å; I374-F376 PolarHBondContact O-N 3.16Å; I374-F376 VanDerWaalsContact O-N 3.15Å | ||
| 375 | C | 67.7 | Low | 60.1 | Low | 110 Ų | 110 | 136 Ų | 136 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | -74.9 | 100.9 | 175.8 | -64.6 | 0 | 0 | 0 | 0 | 109.8 | Q373 V377 | Q373-C375 PolarHBondContact O-N 2.88Å; C375-V377 PolarHBondContact O-N 3.13Å | ||
| 376 | F | 63.4 | Low | 59.6 | Low | 176 Ų | 176 | 133.9 Ų | 133.9 | 77% | 0.772 | 75% | 0.754 | S | S | * | * | trans | -70.7 | 105.4 | 162.8 | -76.7 | -92.7 | 0 | 0 | 0 | 108.5 | I374 N378 | I374-F376 HydrophobicContact CG2-CE2 4.37Å; I374-F376 PolarHBondContact O-N 3.16Å; I374-F376 VanDerWaalsContact O-N 3.15Å; F376-N378 PolarHBondContact O-N 2.7Å | ||
| 377 | V | 69.2 | Low | 59.5 | Low | 110 Ų | 110 | 136.1 Ų | 136.1 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | -74.9 | 103.2 | 164.2 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | C375 D379 | C375-V377 PolarHBondContact O-N 3.13Å; V377-D379 PolarHBondContact O-N 3.36Å | ||
| 378 | N | 65.9 | Low | 59.1 | Low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -82.6 | 94.2 | 167.3 | -90.2 | 21.3 | 0 | 0 | 0 | 108.1 | F376 S380 | F376-N378 PolarHBondContact O-N 2.7Å; N378-S380 PolarHBondContact O-N 3.44Å | ||
| 379 | D | 59.6 | Low | 58.9 | Low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -69.5 | 77.4 | 167.3 | -69.4 | -50.6 | 0 | 0 | 0 | 109.7 | V377 | V377-D379 PolarHBondContact O-N 3.36Š| ||
| 380 | S | 52.8 | Low | 59.1 | Low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -153.9 | 39.3 | -178.2 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | N378 | N378-S380 PolarHBondContact O-N 3.44Š| ||
| 381 | G | 55.1 | Low | 59.5 | Low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -110.2 | 86 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D383 | G381-D383 PolarHBondContact O-N 3.36Š| ||
| 382 | S | 50.7 | Low | 59.3 | Low | 129 Ų | 129 | 136 Ų | 136 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 110.4 | 168.2 | 56.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 383 | D | 60.4 | Low | 58.8 | Low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -120.5 | 141.8 | 167 | -152.2 | -17.7 | 0 | 0 | 0 | 110 | G381 | G381-D383 PolarHBondContact O-N 3.36Š| ||
| 384 | K | 56 | Low | 58.2 | Low | 195 Ų | 195 | 135.2 Ų | 135.2 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -147.4 | 42.8 | -172 | -155.8 | -168.4 | -179.5 | -179.4 | 0 | 111.7 | ||||
| 385 | D | 58.1 | Low | 57.2 | Low | 151 Ų | 151 | 135.8 Ų | 135.8 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -88.1 | 148.3 | 166.6 | -87.5 | -36 | 0 | 0 | 0 | 111.9 | ||||
| 386 | S | 52.4 | Low | 56.3 | Low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -123.1 | 109.8 | -169.8 | -53 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 387 | D | 60.3 | Low | 55.5 | Low | 173 Ų | 173 | 134.7 Ų | 134.7 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -127.9 | 127.7 | 167.8 | -90.2 | -48.9 | 0 | 0 | 0 | 110.5 | ||||
| 388 | A | 53.1 | Low | 54.5 | Low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -112.9 | 121.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 389 | D | 59.5 | Low | 53.8 | Low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -137.9 | 152.1 | 169.5 | -151.8 | -10.3 | 0 | 0 | 0 | 111.3 | ||||
| 390 | D | 51.6 | Low | 53.2 | Low | 104 Ų | 104 | 134.2 Ų | 134.2 | 56% | 0.556 | 79% | 0.791 | S | S | * | * | trans | -82.6 | 144.3 | -174.9 | -138.2 | -40.9 | 0 | 0 | 0 | 109.8 | K392 | D390-K392 VanDerWaalsContact CG-NZ 3.29Å; D390-K392 IonicContact OD1-NZ 3.97Å; D390-K392 PolarHBondContact OD1-NZ 2.96Å; D390-K392 IonicContact OD2-NZ 2.66Å; D390-K392 PolarHBondContact OD2-NZ 3.43Å | ||
| 391 | S | 61.4 | Low | 52.7 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -149.6 | 62.7 | 171.8 | -83.5 | 0 | 0 | 0 | 0 | 111.8 | T393 | S391-T393 PolarHBondContact O-N 2.85Š| ||
| 392 | K | 52.4 | Low | 52.4 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -77 | 105.7 | 163.8 | -64 | 178.1 | -169 | 74.8 | 0 | 109.9 | D390 | D390-K392 VanDerWaalsContact CG-NZ 3.29Å; D390-K392 IonicContact OD1-NZ 3.97Å; D390-K392 PolarHBondContact OD1-NZ 2.96Å; D390-K392 IonicContact OD2-NZ 2.66Å; D390-K392 PolarHBondContact OD2-NZ 3.43Å | ||
| 393 | T | 51.1 | Low | 52.2 | Low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -130.5 | 107.9 | 158 | 48.3 | 0 | 0 | 0 | 0 | 108.7 | S391 | S391-T393 PolarHBondContact O-N 2.85Š| ||
| 394 | E | 50.9 | Low | 51.7 | Low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | 65.7 | 76.5 | 77.2 | -63.6 | -83.2 | 109.9 | 0 | 0 | 111.7 | |||||
| 395 | T | 49.8 | Very low | 51.7 | Low | 144 Ų | 144 | 136.3 Ų | 136.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -125.8 | 139.3 | 153.1 | 56.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 396 | S | 48.1 | Very low | 51.1 | Low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -123.1 | 137.7 | -149.6 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 397 | L | 47.2 | Very low | 50.9 | Low | 165 Ų | 165 | 143.1 Ų | 143.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | 66.4 | 158.8 | 158.5 | -53.4 | 158.5 | 0 | 0 | 0 | 113.9 | ||||
| 398 | D | 47.1 | Very low | 50.2 | Low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | -148.5 | 128.5 | 4.4 | -166 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 399 | T | 51.4 | Low | 49.9 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -164 | 125.4 | 163.1 | -71.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 400 | P | 47.1 | Very low | 49.5 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 156.3 | -164.8 | 31.1 | -36.6 | 0 | 0 | 0 | 115.9 | ||||
| 401 | L | 42.8 | Very low | 49.3 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -53.8 | 139.6 | 179.2 | -63.7 | 160.7 | 0 | 0 | 0 | 114.2 | ||||
| 402 | S | 49.3 | Very low | 48.9 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -131.7 | 104.4 | 158.3 | -76.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 403 | P | 46.9 | Very low | 48.6 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -92.3 | 133.7 | -174.1 | 33.9 | -32.4 | 0 | 0 | 0 | 112.5 | ||||
| 404 | M | 50.2 | Low | 48.8 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -152.2 | 142.7 | 167.6 | -152.7 | 92.8 | 80.2 | 0 | 0 | 113.7 | ||||
| 405 | S | 55.3 | Low | 48.4 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 61.9 | 78 | 155.8 | -60.7 | 0 | 0 | 0 | 0 | 120 | Q407 | S405-Q407 VanDerWaalsContact C-N 3.34Å; S405-Q407 PolarHBondContact O-N 2.9Å; S405-Q407 VanDerWaalsContact O-N 3.16Å | ||
| 406 | K | 44.3 | Very low | 48.2 | Very low | 216 Ų | 216 | 143 Ų | 143 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 75.6 | 153.6 | -72.4 | -173.5 | 176.6 | -176.1 | 0 | 111.8 | ||||
| 407 | Q | 49.4 | Very low | 48 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -148.2 | 129.9 | 163.2 | -63.7 | -175.2 | -17.8 | 0 | 0 | 106.7 | S405 | S405-Q407 VanDerWaalsContact C-N 3.34Å; S405-Q407 PolarHBondContact O-N 2.9Å; S405-Q407 VanDerWaalsContact O-N 3.16Å | ||
| 408 | S | 46 | Very low | 47.9 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | cis | -146.1 | 154.3 | 13.1 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 409 | S | 46.1 | Very low | 47.8 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -29.4 | 136.6 | 161.1 | 52 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 410 | S | 50.4 | Low | 47.8 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | -149.4 | 138.2 | 98.8 | -161.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 411 | Y | 48.8 | Very low | 48.1 | Very low | 213 Ų | 213 | 147 Ų | 147 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 138.5 | 154.3 | -85.3 | -108.2 | 0 | 0 | 0 | 107.3 | ||||
| 412 | S | 52.2 | Low | 48.6 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -143.1 | 105 | 154.3 | 59.3 | 0 | 0 | 0 | 0 | 105.7 | R414 | S412-R414 PolarHBondContact O-N 3.28Š| ||
| 413 | D | 45.3 | Very low | 49 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -58 | 107.5 | 163.8 | -59 | -69.2 | 0 | 0 | 0 | 106.6 | ||||
| 414 | R | 55.2 | Low | 49.9 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -87.2 | 116.2 | 162 | -87.7 | -78.8 | 163.3 | 136.6 | -7.3 | 104.7 | S412 T416 | S412-R414 PolarHBondContact O-N 3.28Å; R414-T416 VanDerWaalsContact C-N 3.32Å; R414-T416 PolarHBondContact O-N 3.46Å | ||
| 415 | D | 44 | Very low | 50.8 | Low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -52.8 | 105 | 160.7 | -82.1 | -55.6 | 0 | 0 | 0 | 107.4 | T417 | D415-T417 HydrophobicContact CB-CG2 4.5Å; D415-T417 PolarHBondContact O-N 2.9Å | ||
| 416 | T | 44.6 | Very low | 52 | Low | 111 Ų | 111 | 138.4 Ų | 138.4 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | -74.4 | 81.3 | 158.1 | 46 | 0 | 0 | 0 | 0 | 106 | R414 E418 | R414-T416 VanDerWaalsContact C-N 3.32Å; R414-T416 PolarHBondContact O-N 3.46Å; T416-E418 PolarHBondContact O-N 2.76Å | ||
| 417 | T | 44.5 | Very low | 53.6 | Low | 104 Ų | 104 | 129.4 Ų | 129.4 | 64% | 0.638 | 69% | 0.688 | S | S | * | * | trans | -63.2 | 93.5 | 156.5 | 48.8 | 0 | 0 | 0 | 0 | 106.4 | D415 E419 | D415-T417 HydrophobicContact CB-CG2 4.5Å; D415-T417 PolarHBondContact O-N 2.9Å; T417-E419 PolarHBondContact O-N 2.89Å; T417-E419 VanDerWaalsContact O-N 3.08Å | ||
| 418 | E | 46 | Very low | 55.3 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | trans | -68.7 | 0.6 | 175.5 | -61.9 | -178.4 | 161.8 | 0 | 0 | 111.7 | T416 E420 S421 | T416-E418 PolarHBondContact O-N 2.76Å; E418-E420 PolarHBondContact O-N 3.1Å; E418-S421 PolarHBondContact O-N 2.97Å; E418-S421 VanDerWaalsContact O-N 3.12Å | ||
| 419 | E | 44.9 | Very low | 57.2 | Low | 180 Ų | 180 | 129.1 Ų | 129.1 | 84% | 0.841 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 36.1 | -179.5 | -52.4 | -165.9 | 143.2 | 0 | 0 | 115.1 | T417 | T417-E419 PolarHBondContact O-N 2.89Å; T417-E419 VanDerWaalsContact O-N 3.08Å |
| 420 | E | 50.6 | Low | 59.2 | Low | 180 Ų | 180 | 128.6 Ų | 128.6 | 84% | 0.841 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 4.7 | 157.6 | -133 | 179.5 | 173 | 0 | 0 | 113.3 | E418 E422 | E418-E420 PolarHBondContact O-N 3.1Å; E420-E422 PolarHBondContact O-N 3.35Å |
| 421 | S | 52.4 | Low | 61.1 | Low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | trans | -78.1 | 57.8 | 164.2 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | E418 S423 | E418-S421 PolarHBondContact O-N 2.97Å; E418-S421 VanDerWaalsContact O-N 3.12Å; S421-S423 PolarHBondContact O-N 2.91Å | ||
| 422 | E | 53.2 | Low | 63.1 | Low | 124 Ų | 124 | 120 Ų | 120 | 58% | 0.579 | 62% | 0.62 | S | S | * | * | trans | -56.7 | 104 | 158.7 | -77.8 | -168.9 | 142.8 | 0 | 0 | 107.6 | E420 L424 K435 | E420-E422 PolarHBondContact O-N 3.35Å; E422-L424 PolarHBondContact O-N 3.36Å; E422-K435 IonicContact OE2-NZ 3.5Å; E422-K435 PolarHBondContact OE2-NZ 3.01Å | ||
| 423 | S | 59.7 | Low | 64.9 | Low | 47 Ų | 47 | 120.3 Ų | 120.3 | 33% | 0.329 | 61% | 0.612 | S | S | . | * | trans | -54.6 | 132.8 | 176.7 | 123.9 | 0 | 0 | 0 | 0 | 108.8 | S421 D425 D426 | S421-S423 PolarHBondContact O-N 2.91Å; S423-D425 PolarHBondContact O-N 3.17Å; S423-D425 PolarHBondContact OG-N 3.11Å; S423-D426 WeakPolarHBondContact CB-OD2 3.48Å; S423-D426 PolarHBondContact O-N 2.92Å; S423-D426 PolarHBondContact OG-N 3.22Å; S423-D426 PolarHBondContact OG-OD2 3.1Å | ||
| 424 | L | 64.3 | Low | 67.1 | Low | 69 Ų | 69 | 119.3 Ų | 119.3 | 36% | 0.361 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -17.9 | -175.6 | -125 | 167.1 | 0 | 0 | 0 | 111.4 | E422 M427 R432 | E422-L424 PolarHBondContact O-N 3.36Å; L424-M427 HydrophobicContact CB-CE 4.39Å; L424-M427 HydrophobicContact CD2-CE 3.61Å; L424-M427 HydrophobicContact CG-CE 3.93Å; L424-R432 HydrophobicContact CD2-CG 3.63Å; L424-R432 WeakPolarHBondContact O-CD 3.41Å; L424-R432 PolarHBondContact O-NE 2.83Å; L424-R432 PolarHBondContact O-NH2 3.03Å |
| 425 | D | 69.5 | Low | 68.8 | Low | 130 Ų | 130 | 113 Ų | 113 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -17.4 | -173.1 | -58.1 | -46 | 0 | 0 | 0 | 114 | S423 R432 | S423-D425 PolarHBondContact O-N 3.17Å; S423-D425 PolarHBondContact OG-N 3.11Å; D425-R432 IonicContact OD1-CZ 2.64Å; D425-R432 IonicContact OD1-NE 2.66Å; D425-R432 IonicContact OD1-NH2 2.66Å; D425-R432 PolarHBondContact OD1-NH2 3.37Å |
| 426 | D | 79.8 | Confident | 71.1 | Confident | 141 Ų | 141 | 109.2 Ų | 109.2 | 75% | 0.754 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -85.5 | -7 | 176.9 | -68.3 | -62.1 | 0 | 0 | 0 | 113.7 | S423 | S423-D426 WeakPolarHBondContact CB-OD2 3.48Å; S423-D426 PolarHBondContact O-N 2.92Å; S423-D426 PolarHBondContact OG-N 3.22Å; S423-D426 PolarHBondContact OG-OD2 3.1Å |
| 427 | M | 77.5 | Confident | 73.4 | Confident | 26 Ų | 26 | 109.2 Ų | 109.2 | 13% | 0.128 | 55% | 0.55 | C | S | . | * | S | Bend | trans | -83.7 | 139.4 | 180 | -70.3 | -175.5 | -78.2 | 0 | 0 | 113.5 | L424 F429 T431 R432 K435 | L424-M427 HydrophobicContact CB-CE 4.39Å; L424-M427 HydrophobicContact CD2-CE 3.61Å; L424-M427 HydrophobicContact CG-CE 3.93Å; M427-F429 PolarHBondContact O-N 3.34Å; M427-T431 HydrophobicContact CB-CG2 4.42Å; M427-T431 HydrophobicContact CG-CG2 4.32Å; M427-T431 HydrophobicContact SD-CG2 3.87Å; M427-R432 HydrophobicContact CB-CB 4.43Å; M427-R432 HydrophobicContact CE-CG 4.36Å; M427-K435 HydrophobicContact CE-CD 3.54Å; M427-K435 HydrophobicContact SD-CD 3.59Å; M427-K435 VanDerWaalsContact SD-CD 3.59Å |
| 428 | D | 86.8 | Confident | 75.7 | Confident | 130 Ų | 130 | 106.7 Ų | 106.7 | 70% | 0.695 | 54% | 0.54 | S | S | * | . | trans | -46.9 | 139.1 | 164.5 | -85.9 | -39.5 | 0 | 0 | 0 | 111.8 | L430 T431 R432 | D428-L430 PolarHBondContact O-N 3.44Å; D428-T431 CarbonylContact O-C 3.6Å; D428-T431 WeakPolarHBondContact O-CA 3.27Å; D428-T431 WeakPolarHBondContact O-CB 3.48Å; D428-T431 PolarHBondContact O-N 2.98Å; D428-R432 PolarHBondContact O-N 3.01Å | ||
| 429 | F | 86.1 | Confident | 77.9 | Confident | 162 Ų | 162 | 104.9 Ų | 104.9 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -49.4 | -41.4 | -177.6 | 176.1 | -89.8 | 0 | 0 | 0 | 113.5 | M427 R432 Q433 | M427-F429 PolarHBondContact O-N 3.34Å; F429-R432 PolarHBondContact O-N 2.9Å; F429-Q433 VanDerWaalsContact O-CB 3.25Å; F429-Q433 WeakPolarHBondContact O-CB 3.42Å; F429-Q433 PolarHBondContact O-N 3.38Å |
| 430 | L | 88.2 | Confident | 80.2 | Confident | 101 Ų | 101 | 98.7 Ų | 98.7 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -32.9 | 179.3 | -176.3 | 62.1 | 0 | 0 | 0 | 112.6 | D428 K434 | D428-L430 PolarHBondContact O-N 3.44Å; L430-K434 WeakPolarHBondContact O-CB 3.47Å; L430-K434 WeakPolarHBondContact O-CD 3.38Å; L430-K434 WeakPolarHBondContact O-CG 3.17Å; L430-K434 PolarHBondContact O-N 2.71Å; L430-K434 VanDerWaalsContact O-N 3.08Å |
| 431 | T | 90 | Very high | 82.3 | Confident | 65 Ų | 65 | 95.9 Ų | 95.9 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.1 | -45.4 | 173.7 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | M427 D428 Q433 K434 K435 | M427-T431 HydrophobicContact CB-CG2 4.42Å; M427-T431 HydrophobicContact CG-CG2 4.32Å; M427-T431 HydrophobicContact SD-CG2 3.87Å; D428-T431 CarbonylContact O-C 3.6Å; D428-T431 WeakPolarHBondContact O-CA 3.27Å; D428-T431 WeakPolarHBondContact O-CB 3.48Å; D428-T431 PolarHBondContact O-N 2.98Å; T431-Q433 PolarHBondContact O-N 2.66Å; T431-K434 PolarHBondContact O-N 2.97Å; T431-K435 WeakPolarHBondContact O-CB 3.35Å; T431-K435 PolarHBondContact O-N 3.31Å |
| 432 | R | 90.4 | Very high | 84.2 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.3 | -48 | 173.4 | -149.1 | -175.4 | -162.1 | -86.6 | 1.5 | 111.6 | L424 D425 M427 D428 F429 K435 L436 | L424-R432 HydrophobicContact CD2-CG 3.63Å; L424-R432 WeakPolarHBondContact O-CD 3.41Å; L424-R432 PolarHBondContact O-NE 2.83Å; L424-R432 PolarHBondContact O-NH2 3.03Å; D425-R432 IonicContact OD1-CZ 2.64Å; D425-R432 IonicContact OD1-NE 2.66Å; D425-R432 IonicContact OD1-NH2 2.66Å; D425-R432 PolarHBondContact OD1-NH2 3.37Å; M427-R432 HydrophobicContact CB-CB 4.43Å; M427-R432 HydrophobicContact CE-CG 4.36Å; D428-R432 PolarHBondContact O-N 3.01Å; F429-R432 PolarHBondContact O-N 2.9Å; R432-K435 PolarHBondContact O-N 3.44Å; R432-L436 HydrophobicContact CG-CD1 4.45Å; R432-L436 WeakPolarHBondContact O-CB 3.5Å; R432-L436 WeakPolarHBondContact O-CG 3.4Å; R432-L436 PolarHBondContact O-N 2.95Å |
| 433 | Q | 89.5 | Confident | 86.2 | Confident | 101 Ų | 101 | 93.5 Ų | 93.5 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 176.6 | -174.5 | -175.1 | 13 | 0 | 0 | 111.9 | F429 T431 Q437 | F429-Q433 VanDerWaalsContact O-CB 3.25Å; F429-Q433 WeakPolarHBondContact O-CB 3.42Å; F429-Q433 PolarHBondContact O-N 3.38Å; T431-Q433 PolarHBondContact O-N 2.66Å; Q433-Q437 VanDerWaalsContact O-CB 3.28Å; Q433-Q437 WeakPolarHBondContact O-CB 3.16Å; Q433-Q437 PolarHBondContact O-N 3.49Å |
| 434 | K | 90.7 | Very high | 87.8 | Confident | 129 Ų | 129 | 97.8 Ų | 97.8 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 176.8 | -76.1 | 169.3 | -179.4 | 178.6 | 0 | 112.3 | L430 T431 Q437 A438 | L430-K434 WeakPolarHBondContact O-CB 3.47Å; L430-K434 WeakPolarHBondContact O-CD 3.38Å; L430-K434 WeakPolarHBondContact O-CG 3.17Å; L430-K434 PolarHBondContact O-N 2.71Å; L430-K434 VanDerWaalsContact O-N 3.08Å; T431-K434 PolarHBondContact O-N 2.97Å; K434-Q437 PolarHBondContact O-N 3.02Å; K434-A438 WeakPolarHBondContact O-CB 3.47Å; K434-A438 PolarHBondContact O-N 3.36Å |
| 435 | K | 92.6 | Very high | 89.2 | Confident | 81 Ų | 81 | 97.8 Ų | 97.8 | 35% | 0.352 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 179 | -158.2 | 170.3 | -170.6 | 171 | 0 | 110.5 | E422 M427 T431 R432 Q437 A438 E439 | E422-K435 IonicContact OE2-NZ 3.5Å; E422-K435 PolarHBondContact OE2-NZ 3.01Å; M427-K435 HydrophobicContact CE-CD 3.54Å; M427-K435 HydrophobicContact SD-CD 3.59Å; M427-K435 VanDerWaalsContact SD-CD 3.59Å; T431-K435 WeakPolarHBondContact O-CB 3.35Å; T431-K435 PolarHBondContact O-N 3.31Å; R432-K435 PolarHBondContact O-N 3.44Å; K435-Q437 PolarHBondContact O-N 3.16Å; K435-A438 PolarHBondContact O-N 3.47Å; K435-E439 WeakPolarHBondContact O-CB 3.33Å; K435-E439 PolarHBondContact O-N 3.28Å |
| 436 | L | 92.3 | Very high | 90.5 | Very high | 71 Ų | 71 | 97.3 Ų | 97.3 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 175.5 | -68 | 168.5 | 0 | 0 | 0 | 112.9 | R432 A440 | R432-L436 HydrophobicContact CG-CD1 4.45Å; R432-L436 WeakPolarHBondContact O-CB 3.5Å; R432-L436 WeakPolarHBondContact O-CG 3.4Å; R432-L436 PolarHBondContact O-N 2.95Å; L436-A440 WeakPolarHBondContact O-CB 3.24Å; L436-A440 PolarHBondContact O-N 3.03Å |
| 437 | Q | 91.8 | Very high | 91.1 | Very high | 110 Ų | 110 | 92.8 Ų | 92.8 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 176 | -161.2 | -163.8 | 51.5 | 0 | 0 | 112.1 | Q433 K434 K435 K441 | Q433-Q437 VanDerWaalsContact O-CB 3.28Å; Q433-Q437 WeakPolarHBondContact O-CB 3.16Å; Q433-Q437 PolarHBondContact O-N 3.49Å; K434-Q437 PolarHBondContact O-N 3.02Å; K435-Q437 PolarHBondContact O-N 3.16Å; Q437-K441 VanDerWaalsContact CD-NZ 3.33Å; Q437-K441 HydrophobicContact CG-CD 4.42Å; Q437-K441 WeakPolarHBondContact O-CB 3.44Å; Q437-K441 WeakPolarHBondContact O-CD 3.49Å; Q437-K441 WeakPolarHBondContact O-CG 3.49Å; Q437-K441 PolarHBondContact O-N 2.77Å; Q437-K441 VanDerWaalsContact O-N 3.11Å |
| 438 | A | 93.1 | Very high | 91.9 | Very high | 51 Ų | 51 | 98.4 Ų | 98.4 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K434 K435 K441 M442 | K434-A438 WeakPolarHBondContact O-CB 3.47Å; K434-A438 PolarHBondContact O-N 3.36Å; K435-A438 PolarHBondContact O-N 3.47Å; A438-K441 PolarHBondContact O-N 2.92Å; A438-M442 WeakPolarHBondContact O-CG 3.42Å; A438-M442 PolarHBondContact O-N 2.92Å |
| 439 | E | 92.8 | Very high | 92.3 | Very high | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.9 | -51.3 | 174.5 | -174.3 | -178.1 | 169.8 | 0 | 0 | 111.7 | K435 K441 M442 A443 | K435-E439 WeakPolarHBondContact O-CB 3.33Å; K435-E439 PolarHBondContact O-N 3.28Å; E439-K441 VanDerWaalsContact C-N 3.33Å; E439-K441 PolarHBondContact O-N 3.2Å; E439-M442 PolarHBondContact O-N 2.9Å; E439-M442 VanDerWaalsContact O-N 3.16Å; E439-A443 WeakPolarHBondContact O-CB 3.47Å; E439-A443 PolarHBondContact O-N 2.94Å |
| 440 | A | 92.7 | Very high | 92.7 | Very high | 50 Ų | 50 | 93.7 Ų | 93.7 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L436 A443 L444 | L436-A440 WeakPolarHBondContact O-CB 3.24Å; L436-A440 PolarHBondContact O-N 3.03Å; A440-A443 PolarHBondContact O-N 2.82Å; A440-L444 WeakPolarHBondContact O-CB 3.43Å; A440-L444 VanDerWaalsContact O-CG 3.29Å; A440-L444 WeakPolarHBondContact O-CG 3.44Å; A440-L444 PolarHBondContact O-N 3.11Å |
| 441 | K | 94.4 | Very high | 93 | Very high | 121 Ų | 121 | 91.6 Ų | 91.6 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 174.7 | -77 | 166.9 | 177.7 | 169.9 | 0 | 112 | Q437 A438 E439 A445 | Q437-K441 VanDerWaalsContact CD-NZ 3.33Å; Q437-K441 HydrophobicContact CG-CD 4.42Å; Q437-K441 WeakPolarHBondContact O-CB 3.44Å; Q437-K441 WeakPolarHBondContact O-CD 3.49Å; Q437-K441 WeakPolarHBondContact O-CG 3.49Å; Q437-K441 PolarHBondContact O-N 2.77Å; Q437-K441 VanDerWaalsContact O-N 3.11Å; A438-K441 PolarHBondContact O-N 2.92Å; E439-K441 VanDerWaalsContact C-N 3.33Å; E439-K441 PolarHBondContact O-N 3.2Å; K441-A445 WeakPolarHBondContact O-CB 3.5Å; K441-A445 PolarHBondContact O-N 3.41Å |
| 442 | M | 93.8 | Very high | 93.3 | Very high | 122 Ų | 122 | 95.9 Ų | 95.9 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.6 | -44.4 | 176.4 | -71 | -63.7 | -172.8 | 0 | 0 | 111.7 | A438 E439 L444 A445 M446 | A438-M442 WeakPolarHBondContact O-CG 3.42Å; A438-M442 PolarHBondContact O-N 2.92Å; E439-M442 PolarHBondContact O-N 2.9Å; E439-M442 VanDerWaalsContact O-N 3.16Å; M442-L444 PolarHBondContact O-N 2.93Å; M442-A445 PolarHBondContact O-N 2.85Å; M442-M446 WeakPolarHBondContact O-CB 3.41Å; M442-M446 WeakPolarHBondContact O-CG 3.34Å; M442-M446 PolarHBondContact O-N 3.1Å |
| 443 | A | 93.9 | Very high | 93.5 | Very high | 61 Ų | 61 | 98.1 Ų | 98.1 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E439 A440 A445 M446 A447 | E439-A443 WeakPolarHBondContact O-CB 3.47Å; E439-A443 PolarHBondContact O-N 2.94Å; A440-A443 PolarHBondContact O-N 2.82Å; A443-A445 PolarHBondContact O-N 2.95Å; A443-M446 PolarHBondContact O-N 3.26Å; A443-A447 PolarHBondContact O-N 3.25Å |
| 444 | L | 93.2 | Very high | 93.7 | Very high | 137 Ų | 137 | 97.8 Ų | 97.8 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -39 | 175.7 | -72.3 | 169.9 | 0 | 0 | 0 | 112.5 | A440 M442 | A440-L444 WeakPolarHBondContact O-CB 3.43Å; A440-L444 VanDerWaalsContact O-CG 3.29Å; A440-L444 WeakPolarHBondContact O-CG 3.44Å; A440-L444 PolarHBondContact O-N 3.11Å; M442-L444 PolarHBondContact O-N 2.93Å |
| 445 | A | 95.2 | Very high | 93.7 | Very high | 69 Ų | 69 | 96 Ų | 96 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K441 M442 A443 P449 | K441-A445 WeakPolarHBondContact O-CB 3.5Å; K441-A445 PolarHBondContact O-N 3.41Å; M442-A445 PolarHBondContact O-N 2.85Å; A443-A445 PolarHBondContact O-N 2.95Å; A445-P449 VanDerWaalsContact O-CD 3.24Å; A445-P449 WeakPolarHBondContact O-CD 3.5Å |
| 446 | M | 95.4 | Very high | 93.6 | Very high | 119 Ų | 119 | 95.8 Ų | 95.8 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -78.3 | -24.1 | 178.8 | -69 | -174.2 | -171.2 | 0 | 0 | 113.9 | M442 A443 K448 P449 M450 | M442-M446 WeakPolarHBondContact O-CB 3.41Å; M442-M446 WeakPolarHBondContact O-CG 3.34Å; M442-M446 PolarHBondContact O-N 3.1Å; A443-M446 PolarHBondContact O-N 3.26Å; M446-K448 PolarHBondContact O-N 3.37Å; M446-P449 WeakPolarHBondContact O-CD 3.45Å; M446-P449 VanDerWaalsContact O-CG 3.29Å; M446-P449 WeakPolarHBondContact O-CG 3.4Å; M446-M450 WeakPolarHBondContact O-CB 3.27Å; M446-M450 PolarHBondContact O-N 3.02Å |
| 447 | A | 92.8 | Very high | 93.6 | Very high | 47 Ų | 47 | 95.5 Ų | 95.5 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56 | -45.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A443 M450 A451 | A443-A447 PolarHBondContact O-N 3.25Å; A447-M450 PolarHBondContact O-N 3.29Å; A447-A451 WeakPolarHBondContact O-CB 3.3Å; A447-A451 PolarHBondContact O-N 3.01Å |
| 448 | K | 93.6 | Very high | 93.4 | Very high | 143 Ų | 143 | 94 Ų | 94 | 62% | 0.622 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.9 | -46.7 | -178.1 | -164.7 | 170.6 | -173.5 | 171.7 | 0 | 113.9 | M446 K452 | M446-K448 PolarHBondContact O-N 3.37Å; K448-K452 PolarHBondContact O-N 2.95Å |
| 449 | P | 96.6 | Very high | 93 | Very high | 76 Ų | 76 | 96.2 Ų | 96.2 | 49% | 0.494 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.6 | -36 | 172.1 | 24.1 | -31.9 | 0 | 0 | 0 | 112.9 | A445 M446 K452 M453 | A445-P449 VanDerWaalsContact O-CD 3.24Å; A445-P449 WeakPolarHBondContact O-CD 3.5Å; M446-P449 WeakPolarHBondContact O-CD 3.45Å; M446-P449 VanDerWaalsContact O-CG 3.29Å; M446-P449 WeakPolarHBondContact O-CG 3.4Å; P449-K452 PolarHBondContact O-N 3.47Å; P449-M453 PolarHBondContact O-N 2.91Å |
| 450 | M | 94.4 | Very high | 92.4 | Very high | 118 Ų | 118 | 96.3 Ų | 96.3 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 176.2 | -174.1 | 171.8 | 69.9 | 0 | 0 | 111.8 | M446 A447 K452 M453 Q454 | M446-M450 WeakPolarHBondContact O-CB 3.27Å; M446-M450 PolarHBondContact O-N 3.02Å; A447-M450 PolarHBondContact O-N 3.29Å; M450-K452 PolarHBondContact O-N 3.42Å; M450-M453 HydrophobicContact CG-CE 4.39Å; M450-M453 WeakPolarHBondContact O-CB 3.43Å; M450-M453 PolarHBondContact O-N 3.32Å; M450-Q454 WeakPolarHBondContact O-CB 3.43Å; M450-Q454 PolarHBondContact O-N 2.95Å |
| 451 | A | 94 | Very high | 91.9 | Very high | 56 Ų | 56 | 99.9 Ų | 99.9 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A447 Q454 V455 | A447-A451 WeakPolarHBondContact O-CB 3.3Å; A447-A451 PolarHBondContact O-N 3.01Å; A451-Q454 PolarHBondContact O-N 3.25Å; A451-V455 WeakPolarHBondContact O-CG2 3.34Å; A451-V455 PolarHBondContact O-N 3.48Å; A451-V455 VanDerWaalsContact O-N 3.08Å |
| 452 | K | 96.2 | Very high | 91.1 | Very high | 155 Ų | 155 | 99.9 Ų | 99.9 | 67% | 0.674 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 173.5 | -76.1 | -175.8 | 174.4 | -173 | 0 | 112.3 | K448 P449 M450 V455 E456 | K448-K452 PolarHBondContact O-N 2.95Å; P449-K452 PolarHBondContact O-N 3.47Å; M450-K452 PolarHBondContact O-N 3.42Å; K452-V455 PolarHBondContact O-N 2.95Å; K452-E456 PolarHBondContact O-N 2.81Å |
| 453 | M | 95.3 | Very high | 89.8 | Confident | 123 Ų | 123 | 104.1 Ų | 104.1 | 61% | 0.606 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -46 | 176.5 | -178.9 | 177.4 | 68.6 | 0 | 0 | 110.9 | P449 M450 V455 E456 V457 | P449-M453 PolarHBondContact O-N 2.91Å; M450-M453 HydrophobicContact CG-CE 4.39Å; M450-M453 WeakPolarHBondContact O-CB 3.43Å; M450-M453 PolarHBondContact O-N 3.32Å; M453-V455 PolarHBondContact O-N 2.98Å; M453-E456 PolarHBondContact O-N 2.95Å; M453-V457 WeakPolarHBondContact O-CG2 3.46Å; M453-V457 PolarHBondContact O-N 3.49Å |
| 454 | Q | 93 | Very high | 88.6 | Confident | 95 Ų | 95 | 109.5 Ų | 109.5 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.4 | -47 | 177.9 | -178.4 | 60.7 | 21.8 | 0 | 0 | 112.2 | M450 A451 E456 V457 E458 | M450-Q454 WeakPolarHBondContact O-CB 3.43Å; M450-Q454 PolarHBondContact O-N 2.95Å; A451-Q454 PolarHBondContact O-N 3.25Å; Q454-E456 VanDerWaalsContact C-N 3.3Å; Q454-E456 PolarHBondContact O-N 2.86Å; Q454-V457 WeakPolarHBondContact O-CB 3.25Å; Q454-V457 PolarHBondContact O-N 3.44Å; Q454-V457 VanDerWaalsContact O-N 3.15Å; Q454-E458 WeakPolarHBondContact CG-OE1 3.33Å; Q454-E458 PolarHBondContact NE2-OE1 3.19Å; Q454-E458 WeakPolarHBondContact O-CG 3.38Å; Q454-E458 PolarHBondContact O-N 3.42Å |
| 455 | V | 91.1 | Very high | 87.4 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -35.3 | 177.9 | 169.8 | 0 | 0 | 0 | 0 | 112.4 | A451 K452 M453 K459 | A451-V455 WeakPolarHBondContact O-CG2 3.34Å; A451-V455 PolarHBondContact O-N 3.48Å; A451-V455 VanDerWaalsContact O-N 3.08Å; K452-V455 PolarHBondContact O-N 2.95Å; M453-V455 PolarHBondContact O-N 2.98Å; V455-K459 VanDerWaalsContact O-CB 3.22Å; V455-K459 WeakPolarHBondContact O-CB 3.35Å; V455-K459 PolarHBondContact O-N 2.82Å |
| 456 | E | 90.3 | Very high | 86.3 | Confident | 76 Ų | 76 | 103.9 Ų | 103.9 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.4 | -41.1 | 173.9 | -171.5 | 57.8 | -140.7 | 0 | 0 | 111.7 | K452 M453 Q454 E458 K459 Q460 | K452-E456 PolarHBondContact O-N 2.81Å; M453-E456 PolarHBondContact O-N 2.95Å; Q454-E456 VanDerWaalsContact C-N 3.3Å; Q454-E456 PolarHBondContact O-N 2.86Å; E456-E458 VanDerWaalsContact C-N 3.34Å; E456-E458 PolarHBondContact O-N 2.86Å; E456-K459 WeakPolarHBondContact O-CB 3.47Å; E456-K459 PolarHBondContact O-N 3.06Å; E456-K459 IonicContact OE1-NZ 2.73Å; E456-K459 PolarHBondContact OE1-NZ 2.85Å; E456-K459 IonicContact OE2-NZ 3.93Å; E456-K459 PolarHBondContact OE2-NZ 2.92Å; E456-Q460 WeakPolarHBondContact O-CG 3.29Å; E456-Q460 PolarHBondContact O-N 3.42Å; E456-Q460 PolarHBondContact OE1-NE2 3.43Å |
| 457 | V | 91.5 | Very high | 85.4 | Confident | 66 Ų | 66 | 98.3 Ų | 98.3 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | -45 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 111 | M453 Q454 Q460 N461 | M453-V457 WeakPolarHBondContact O-CG2 3.46Å; M453-V457 PolarHBondContact O-N 3.49Å; Q454-V457 WeakPolarHBondContact O-CB 3.25Å; Q454-V457 PolarHBondContact O-N 3.44Å; Q454-V457 VanDerWaalsContact O-N 3.15Å; V457-Q460 PolarHBondContact O-N 3.37Å; V457-N461 WeakPolarHBondContact O-CB 3.44Å; V457-N461 PolarHBondContact O-N 2.88Å; V457-N461 PolarHBondContact O-ND2 3.45Å |
| 458 | E | 88.6 | Confident | 84.4 | Confident | 79 Ų | 79 | 97.5 Ų | 97.5 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.2 | -72.7 | 167 | -175.6 | 0 | 0 | 111.9 | Q454 E456 Q460 N461 R462 | Q454-E458 WeakPolarHBondContact CG-OE1 3.33Å; Q454-E458 PolarHBondContact NE2-OE1 3.19Å; Q454-E458 WeakPolarHBondContact O-CG 3.38Å; Q454-E458 PolarHBondContact O-N 3.42Å; E456-E458 VanDerWaalsContact C-N 3.34Å; E456-E458 PolarHBondContact O-N 2.86Å; E458-Q460 VanDerWaalsContact C-N 3.28Å; E458-Q460 PolarHBondContact O-N 3.34Å; E458-N461 CarbonylContact O-C 3.57Å; E458-N461 PolarHBondContact O-N 3.18Å; E458-N461 VanDerWaalsContact O-N 3.09Å; E458-R462 PolarHBondContact O-N 3.04Å |
| 459 | K | 85.2 | Confident | 83.7 | Confident | 96 Ų | 96 | 97.2 Ų | 97.2 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -33.3 | 175.7 | 167.8 | 167.2 | 158.9 | -85.9 | 0 | 113.1 | V455 E456 | V455-K459 VanDerWaalsContact O-CB 3.22Å; V455-K459 WeakPolarHBondContact O-CB 3.35Å; V455-K459 PolarHBondContact O-N 2.82Å; E456-K459 WeakPolarHBondContact O-CB 3.47Å; E456-K459 PolarHBondContact O-N 3.06Å; E456-K459 IonicContact OE1-NZ 2.73Å; E456-K459 PolarHBondContact OE1-NZ 2.85Å; E456-K459 IonicContact OE2-NZ 3.93Å; E456-K459 PolarHBondContact OE2-NZ 2.92Å |
| 460 | Q | 79.9 | Confident | 82.8 | Confident | 123 Ų | 123 | 99 Ų | 99 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -78.3 | -30.9 | 172.8 | -63 | -62.4 | -29 | 0 | 0 | 113 | E456 V457 E458 | E456-Q460 WeakPolarHBondContact O-CG 3.29Å; E456-Q460 PolarHBondContact O-N 3.42Å; E456-Q460 PolarHBondContact OE1-NE2 3.43Å; V457-Q460 PolarHBondContact O-N 3.37Å; E458-Q460 VanDerWaalsContact C-N 3.28Å; E458-Q460 PolarHBondContact O-N 3.34Å |
| 461 | N | 81.7 | Confident | 82 | Confident | 124 Ų | 124 | 93.6 Ų | 93.6 | 66% | 0.663 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -86.6 | -6.7 | -179.1 | -79.9 | -76.9 | 0 | 0 | 0 | 114.8 | V457 E458 K463 | V457-N461 WeakPolarHBondContact O-CB 3.44Å; V457-N461 PolarHBondContact O-N 2.88Å; V457-N461 PolarHBondContact O-ND2 3.45Å; E458-N461 CarbonylContact O-C 3.57Å; E458-N461 PolarHBondContact O-N 3.18Å; E458-N461 VanDerWaalsContact O-N 3.09Å; N461-K463 PolarHBondContact O-N 3.08Å |
| 462 | R | 76.7 | Confident | 81 | Confident | 122 Ų | 122 | 95.9 Ų | 95.9 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -55.6 | 131.4 | 175.5 | -80.2 | -160.1 | 172.5 | 98.2 | 2.9 | 111.1 | E458 K464 E516 | E458-R462 PolarHBondContact O-N 3.04Å; R462-K464 PolarHBondContact O-N 3.21Å; R462-E516 IonicContact CZ-OE1 2.64Å; R462-E516 IonicContact NE-OE1 3.03Å; R462-E516 IonicContact NE-OE2 2.97Å; R462-E516 IonicContact NH2-OE1 3.66Å; R462-E516 PolarHBondContact NH2-OE1 3.49Å |
| 463 | K | 68.1 | Low | 79.9 | Confident | 210 Ų | 210 | 97 Ų | 97 | 91% | 0.913 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 123.2 | -177.9 | -65.4 | 171.6 | -175.5 | 166.8 | 0 | 109.7 | N461 | N461-K463 PolarHBondContact O-N 3.08Š|
| 464 | K | 66.8 | Low | 78.9 | Confident | 174 Ų | 174 | 94.3 Ų | 94.3 | 76% | 0.757 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 138 | 175.7 | -63.6 | 177.7 | -176.2 | 177.2 | 0 | 109.1 | R462 | R462-K464 PolarHBondContact O-N 3.21Š|
| 465 | S | 68.7 | Low | 77.8 | Confident | 13 Ų | 13 | 94.2 Ų | 94.2 | 9% | 0.091 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 125.2 | -179.4 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | V467 A468 D505 | S465-V467 PolarHBondContact O-N 3.03Å; S465-V467 VanDerWaalsContact OG-CB 3.28Å; S465-V467 WeakPolarHBondContact OG-CB 3.41Å; S465-V467 VanDerWaalsContact OG-CG2 3.23Å; S465-V467 WeakPolarHBondContact OG-CG2 3.41Å; S465-V467 PolarHBondContact OG-N 3.01Å; S465-A468 PolarHBondContact O-N 3.39Å; S465-D505 WeakPolarHBondContact CB-OD2 3.48Å; S465-D505 PolarHBondContact OG-OD1 3.33Å; S465-D505 PolarHBondContact OG-OD2 3.35Å |
| 466 | P | 71.7 | Confident | 77.1 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 49% | 0.494 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.3 | 177.7 | 27.4 | -36.8 | 0 | 0 | 0 | 113.8 | A468 D469 L470 D505 | P466-A468 PolarHBondContact O-N 3.5Å; P466-A468 VanDerWaalsContact O-N 3.17Å; P466-D469 PolarHBondContact O-N 3.34Å; P466-L470 PolarHBondContact O-N 2.8Å; P466-D505 WeakPolarHBondContact CD-OD1 3.4Å |
| 467 | V | 76.6 | Confident | 76.5 | Confident | 1 Ų | 1 | 92.3 Ų | 92.3 | 1% | 0.006 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -54.4 | -29 | 169.3 | 175 | 0 | 0 | 0 | 0 | 112.1 | S465 D469 L470 L471 I477 L481 V501 I502 D505 | S465-V467 PolarHBondContact O-N 3.03Å; S465-V467 VanDerWaalsContact OG-CB 3.28Å; S465-V467 WeakPolarHBondContact OG-CB 3.41Å; S465-V467 VanDerWaalsContact OG-CG2 3.23Å; S465-V467 WeakPolarHBondContact OG-CG2 3.41Å; S465-V467 PolarHBondContact OG-N 3.01Å; V467-D469 VanDerWaalsContact C-N 3.32Å; V467-D469 PolarHBondContact O-N 3.1Å; V467-L470 PolarHBondContact O-N 3.1Å; V467-L471 HydrophobicContact CG1-CB 4.48Å; V467-L471 HydrophobicContact CG1-CD1 3.47Å; V467-L471 VanDerWaalsContact CG1-CD1 3.47Å; V467-L471 HydrophobicContact CG1-CG 3.91Å; V467-L471 WeakPolarHBondContact O-CB 3.42Å; V467-L471 PolarHBondContact O-N 3.29Å; V467-I477 HydrophobicContact CG1-CG2 3.93Å; V467-L481 HydrophobicContact CB-CD1 4.02Å; V467-L481 HydrophobicContact CG1-CD1 3.96Å; V467-L481 HydrophobicContact CG2-CD1 4.27Å; V467-V501 HydrophobicContact CG2-CG1 4.21Å; V467-I502 HydrophobicContact CG1-CG1 3.87Å; V467-D505 HydrophobicContact CG2-CB 3.36Å |
| 468 | A | 73.1 | Confident | 75.7 | Confident | 31 Ų | 31 | 90.5 Ų | 90.5 | 26% | 0.256 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.8 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S465 P466 | S465-A468 PolarHBondContact O-N 3.39Å; P466-A468 PolarHBondContact O-N 3.5Å; P466-A468 VanDerWaalsContact O-N 3.17Å |
| 469 | D | 77.2 | Confident | 75.2 | Confident | 137 Ų | 137 | 90.8 Ų | 90.8 | 73% | 0.733 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -76.1 | -28.5 | -177.3 | -57.5 | -39.2 | 0 | 0 | 0 | 111.6 | P466 V467 | P466-D469 PolarHBondContact O-N 3.34Å; V467-D469 VanDerWaalsContact C-N 3.32Å; V467-D469 PolarHBondContact O-N 3.1Å |
| 470 | L | 79.2 | Confident | 75 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -82.4 | -19.6 | 178.6 | -61.8 | 176.8 | 0 | 0 | 0 | 113.5 | P466 V467 P472 V501 | P466-L470 PolarHBondContact O-N 2.8Å; V467-L470 PolarHBondContact O-N 3.1Å; L470-P472 VanDerWaalsContact C-CD 3.42Å; L470-P472 WeakPolarHBondContact O-CD 3.48Å; L470-V501 HydrophobicContact CB-CG1 4.04Å; L470-V501 HydrophobicContact CD1-CG1 3.67Å |
| 471 | L | 77.3 | Confident | 74.9 | Confident | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | trans | -122.5 | 63.4 | 177.5 | -58.7 | -176.7 | 0 | 0 | 0 | 113.4 | V467 H473 M474 I477 M494 Q498 I502 | V467-L471 HydrophobicContact CG1-CB 4.48Å; V467-L471 HydrophobicContact CG1-CD1 3.47Å; V467-L471 VanDerWaalsContact CG1-CD1 3.47Å; V467-L471 HydrophobicContact CG1-CG 3.91Å; V467-L471 WeakPolarHBondContact O-CB 3.42Å; V467-L471 PolarHBondContact O-N 3.29Å; L471-H473 PolarHBondContact O-N 3.15Å; L471-M474 PolarHBondContact O-N 3.2Å; L471-I477 HydrophobicContact CB-CG2 4.42Å; L471-I477 HydrophobicContact CD1-CD1 3.93Å; L471-I477 HydrophobicContact CD1-CG2 4.37Å; L471-M494 HydrophobicContact CD1-SD 3.9Å; L471-Q498 HydrophobicContact CD2-CB 3.58Å; L471-Q498 HydrophobicContact CD2-CG 3.48Å; L471-Q498 VanDerWaalsContact CD2-CG 3.48Å; L471-I502 HydrophobicContact CD1-CD1 3.8Å; L471-I502 HydrophobicContact CD1-CG1 3.86Å | ||
| 472 | P | 73.8 | Confident | 74.5 | Confident | 105 Ų | 105 | 81.9 Ų | 81.9 | 68% | 0.682 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.1 | -178.8 | -25.7 | 34.7 | 0 | 0 | 0 | 115.8 | L470 M474 | L470-P472 VanDerWaalsContact C-CD 3.42Å; L470-P472 WeakPolarHBondContact O-CD 3.48Å; P472-M474 VanDerWaalsContact C-N 3.29Å |
| 473 | H | 72.7 | Confident | 74.6 | Confident | 177 Ų | 177 | 82.6 Ų | 82.6 | 82% | 0.819 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -12.6 | 177 | -125.6 | 64.9 | 0 | 0 | 0 | 113.8 | L471 | L471-H473 PolarHBondContact O-N 3.15Š|
| 474 | M | 72.9 | Confident | 75.3 | Confident | 68 Ų | 68 | 82.8 Ų | 82.8 | 34% | 0.335 | 42% | 0.419 | S | S | . | . | trans | -131.5 | 68 | -177.2 | -68.9 | -67.7 | -74.9 | 0 | 0 | 110.6 | L471 P472 H476 I477 D490 | L471-M474 PolarHBondContact O-N 3.2Å; P472-M474 VanDerWaalsContact C-N 3.29Å; M474-H476 PolarHBondContact O-N 3.24Å; M474-I477 HydrophobicContact CB-CB 3.94Å; M474-I477 HydrophobicContact CB-CD1 4.14Å; M474-I477 HydrophobicContact CB-CG2 4.29Å; M474-I477 VanDerWaalsContact O-CB 3.29Å; M474-I477 WeakPolarHBondContact O-CB 3.48Å; M474-I477 VanDerWaalsContact O-CG2 3.23Å; M474-I477 WeakPolarHBondContact O-CG2 3.47Å; M474-I477 PolarHBondContact O-N 2.79Å; M474-D490 HydrophobicContact CE-CB 3.88Å | ||
| 475 | P | 70.4 | Confident | 75.9 | Confident | 92 Ų | 92 | 76.2 Ų | 76.2 | 60% | 0.597 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.7 | -173 | 23.7 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 476 | H | 76 | Confident | 76.4 | Confident | 125 Ų | 125 | 77.9 Ų | 77.9 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.3 | 176 | -61.3 | -74.6 | 0 | 0 | 0 | 114 | M474 S478 E479 C480 | M474-H476 PolarHBondContact O-N 3.24Å; H476-S478 VanDerWaalsContact C-N 3.32Å; H476-S478 PolarHBondContact O-N 2.92Å; H476-E479 IonicContact ND1-OE2 3.76Å; H476-E479 WeakPolarHBondContact O-CB 3.38Å; H476-E479 PolarHBondContact O-N 3.39Å; H476-E479 VanDerWaalsContact O-N 3.09Å; H476-C480 PolarHBondContact O-N 2.99Å |
| 477 | I | 78 | Confident | 76.9 | Confident | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.015 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.6 | -32.1 | -170.9 | -154.6 | 156.6 | 0 | 0 | 0 | 113 | V467 L471 M474 E479 C480 L481 L486 M494 I502 | V467-I477 HydrophobicContact CG1-CG2 3.93Å; L471-I477 HydrophobicContact CB-CG2 4.42Å; L471-I477 HydrophobicContact CD1-CD1 3.93Å; L471-I477 HydrophobicContact CD1-CG2 4.37Å; M474-I477 HydrophobicContact CB-CB 3.94Å; M474-I477 HydrophobicContact CB-CD1 4.14Å; M474-I477 HydrophobicContact CB-CG2 4.29Å; M474-I477 VanDerWaalsContact O-CB 3.29Å; M474-I477 WeakPolarHBondContact O-CB 3.48Å; M474-I477 VanDerWaalsContact O-CG2 3.23Å; M474-I477 WeakPolarHBondContact O-CG2 3.47Å; M474-I477 PolarHBondContact O-N 2.79Å; I477-E479 VanDerWaalsContact C-N 3.34Å; I477-C480 PolarHBondContact O-N 3.31Å; I477-L481 HydrophobicContact CG1-CD1 4.45Å; I477-L481 VanDerWaalsContact O-CB 3.31Å; I477-L481 WeakPolarHBondContact O-CB 3.49Å; I477-L481 WeakPolarHBondContact O-CD1 3.41Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 3.43Å; I477-L486 HydrophobicContact CD1-CD2 4.35Å; I477-L486 HydrophobicContact CG1-CD2 3.77Å; I477-M494 HydrophobicContact CD1-CE 4.26Å; I477-M494 HydrophobicContact CD1-SD 4.47Å; I477-I502 HydrophobicContact CD1-CD1 3.54Å; I477-I502 HydrophobicContact CG1-CD1 4.36Å |
| 478 | S | 75.6 | Confident | 77.2 | Confident | 28 Ų | 28 | 84.8 Ų | 84.8 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 173.3 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | H476 M482 | H476-S478 VanDerWaalsContact C-N 3.32Å; H476-S478 PolarHBondContact O-N 2.92Å; S478-M482 WeakPolarHBondContact O-CB 3.45Å; S478-M482 PolarHBondContact O-N 3.12Å |
| 479 | E | 78.2 | Confident | 77.6 | Confident | 85 Ų | 85 | 86.9 Ų | 86.9 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 171.9 | -167.4 | -171 | 164.8 | 0 | 0 | 111.1 | H476 I477 L481 M482 K483 | H476-E479 IonicContact ND1-OE2 3.76Å; H476-E479 WeakPolarHBondContact O-CB 3.38Å; H476-E479 PolarHBondContact O-N 3.39Å; H476-E479 VanDerWaalsContact O-N 3.09Å; I477-E479 VanDerWaalsContact C-N 3.34Å; E479-L481 VanDerWaalsContact C-N 3.34Å; E479-L481 PolarHBondContact O-N 2.97Å; E479-M482 PolarHBondContact O-N 2.89Å; E479-K483 HydrophobicContact CG-CD 4.08Å; E479-K483 VanDerWaalsContact O-CB 3.31Å; E479-K483 WeakPolarHBondContact O-CB 3.29Å; E479-K483 WeakPolarHBondContact O-CG 3.46Å; E479-K483 PolarHBondContact O-N 2.69Å; E479-K483 WeakPolarHBondContact OE1-CE 3.43Å; E479-K483 IonicContact OE1-NZ 3.68Å; E479-K483 PolarHBondContact OE1-NZ 3.21Å |
| 480 | C | 79.6 | Confident | 77.7 | Confident | 33 Ų | 33 | 82.8 Ų | 82.8 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 175 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | H476 I477 R484 S485 L486 | H476-C480 PolarHBondContact O-N 2.99Å; I477-C480 PolarHBondContact O-N 3.31Å; C480-R484 CarbonylContact O-C 3.57Å; C480-R484 PolarHBondContact O-N 2.88Å; C480-R484 VanDerWaalsContact O-N 3.09Å; C480-S485 PolarHBondContact O-N 2.69Å; C480-L486 HydrophobicContact CB-CD2 3.79Å; C480-L486 HydrophobicContact CB-CG 4.42Å |
| 481 | L | 77.8 | Confident | 77.9 | Confident | 8 Ų | 8 | 79.8 Ų | 79.8 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64 | -52.7 | 173.4 | -77.7 | 163.2 | 0 | 0 | 0 | 111.1 | V467 I477 E479 K483 R484 L486 I502 L506 | V467-L481 HydrophobicContact CB-CD1 4.02Å; V467-L481 HydrophobicContact CG1-CD1 3.96Å; V467-L481 HydrophobicContact CG2-CD1 4.27Å; I477-L481 HydrophobicContact CG1-CD1 4.45Å; I477-L481 VanDerWaalsContact O-CB 3.31Å; I477-L481 WeakPolarHBondContact O-CB 3.49Å; I477-L481 WeakPolarHBondContact O-CD1 3.41Å; I477-L481 WeakPolarHBondContact O-CG 3.45Å; I477-L481 PolarHBondContact O-N 3.43Å; E479-L481 VanDerWaalsContact C-N 3.34Å; E479-L481 PolarHBondContact O-N 2.97Å; L481-K483 VanDerWaalsContact C-N 3.29Å; L481-K483 PolarHBondContact O-N 3.18Å; L481-R484 WeakPolarHBondContact O-CA 3.21Å; L481-R484 PolarHBondContact O-N 3.21Å; L481-L486 HydrophobicContact CD2-CD1 3.73Å; L481-L486 HydrophobicContact CD2-CG 4.37Å; L481-L486 HydrophobicContact CG-CD1 4.37Å; L481-L486 HydrophobicContact CG-CD2 4.41Å; L481-I502 HydrophobicContact CD2-CG2 4.05Å; L481-L506 HydrophobicContact CD2-CD1 4.19Å; L481-L506 HydrophobicContact CD2-CD2 3.69Å; L481-L506 HydrophobicContact CD2-CG 3.97Å |
| 482 | M | 74.9 | Confident | 78.3 | Confident | 114 Ų | 114 | 88.3 Ų | 88.3 | 56% | 0.562 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.5 | -38.3 | 178.7 | -179.7 | -178.6 | 173 | 0 | 0 | 112.5 | S478 E479 R484 | S478-M482 WeakPolarHBondContact O-CB 3.45Å; S478-M482 PolarHBondContact O-N 3.12Å; E479-M482 PolarHBondContact O-N 2.89Å; M482-R484 VanDerWaalsContact C-N 3.31Å |
| 483 | K | 78.1 | Confident | 78.8 | Confident | 138 Ų | 138 | 91.1 Ų | 91.1 | 60% | 0.6 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.9 | 175.1 | -67.4 | 179.8 | 176.3 | 176.2 | 0 | 113.9 | E479 L481 S485 | E479-K483 HydrophobicContact CG-CD 4.08Å; E479-K483 VanDerWaalsContact O-CB 3.31Å; E479-K483 WeakPolarHBondContact O-CB 3.29Å; E479-K483 WeakPolarHBondContact O-CG 3.46Å; E479-K483 PolarHBondContact O-N 2.69Å; E479-K483 WeakPolarHBondContact OE1-CE 3.43Å; E479-K483 IonicContact OE1-NZ 3.68Å; E479-K483 PolarHBondContact OE1-NZ 3.21Å; L481-K483 VanDerWaalsContact C-N 3.29Å; L481-K483 PolarHBondContact O-N 3.18Å; K483-S485 PolarHBondContact O-N 2.84Å |
| 484 | R | 81.9 | Confident | 79.3 | Confident | 214 Ų | 214 | 83.6 Ų | 83.6 | 81% | 0.808 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 35.5 | -174.7 | -54.7 | -173.8 | -178.2 | 106.9 | -2.1 | 113.6 | C480 L481 M482 | C480-R484 CarbonylContact O-C 3.57Å; C480-R484 PolarHBondContact O-N 2.88Å; C480-R484 VanDerWaalsContact O-N 3.09Å; L481-R484 WeakPolarHBondContact O-CA 3.21Å; L481-R484 PolarHBondContact O-N 3.21Å; M482-R484 VanDerWaalsContact C-N 3.31Å |
| 485 | S | 80 | Confident | 80.2 | Confident | 36 Ų | 36 | 84.3 Ų | 84.3 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | trans | -126.5 | 45.4 | -170.1 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | C480 K483 | C480-S485 PolarHBondContact O-N 2.69Å; K483-S485 PolarHBondContact O-N 2.84Å | ||
| 486 | L | 79.5 | Confident | 81.2 | Confident | 47 Ų | 47 | 86.9 Ų | 86.9 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | trans | -69.3 | 124.3 | 166.6 | -70.4 | 172.7 | 0 | 0 | 0 | 110 | I477 C480 L481 L491 I502 | I477-L486 HydrophobicContact CD1-CD2 4.35Å; I477-L486 HydrophobicContact CG1-CD2 3.77Å; C480-L486 HydrophobicContact CB-CD2 3.79Å; C480-L486 HydrophobicContact CB-CG 4.42Å; L481-L486 HydrophobicContact CD2-CD1 3.73Å; L481-L486 HydrophobicContact CD2-CG 4.37Å; L481-L486 HydrophobicContact CG-CD1 4.37Å; L481-L486 HydrophobicContact CG-CD2 4.41Å; L486-L491 HydrophobicContact CD1-CD2 4.48Å; L486-L491 HydrophobicContact CD2-CD2 4.45Å; L486-I502 HydrophobicContact CD1-CG2 4.37Å | ||
| 487 | K | 82.9 | Confident | 81.9 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | trans | -89.4 | 146.3 | 176 | -58.3 | 167.3 | -177.6 | 168.9 | 0 | 110.2 | T489 D490 | K487-T489 WeakPolarHBondContact CB-OG1 3.32Å; K487-T489 PolarHBondContact O-N 3.44Å; K487-D490 WeakPolarHBondContact CB-OD2 3.13Å; K487-D490 PolarHBondContact N-OD2 3.27Å; K487-D490 PolarHBondContact O-N 3.29Å | ||
| 488 | P | 82.5 | Confident | 82.5 | Confident | 99 Ų | 99 | 85.8 Ų | 85.8 | 64% | 0.643 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -8.7 | 175 | -24.5 | 34.8 | 0 | 0 | 0 | 115.2 | R492 | P488-R492 WeakPolarHBondContact O-CD 3.25Å; P488-R492 VanDerWaalsContact O-CG 3.27Å; P488-R492 WeakPolarHBondContact O-CG 3.47Å; P488-R492 PolarHBondContact O-NE 3.01Å; P488-R492 VanDerWaalsContact O-NE 3.08Å |
| 489 | T | 81.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 46% | 0.46 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -49.3 | 167.6 | 37.4 | 0 | 0 | 0 | 0 | 111 | K487 L491 R492 | K487-T489 WeakPolarHBondContact CB-OG1 3.32Å; K487-T489 PolarHBondContact O-N 3.44Å; T489-L491 PolarHBondContact O-N 2.89Å; T489-L491 VanDerWaalsContact O-N 3.08Å; T489-R492 PolarHBondContact O-N 2.83Å; T489-R492 VanDerWaalsContact O-N 3.11Å |
| 490 | D | 79 | Confident | 83.9 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 27% | 0.267 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -13 | -168.1 | -40.5 | -15.3 | 0 | 0 | 0 | 112 | M474 K487 | M474-D490 HydrophobicContact CE-CB 3.88Å; K487-D490 WeakPolarHBondContact CB-OD2 3.13Å; K487-D490 PolarHBondContact N-OD2 3.27Å; K487-D490 PolarHBondContact O-N 3.29Å |
| 491 | L | 83.9 | Confident | 84.4 | Confident | 51 Ų | 51 | 88.6 Ų | 88.6 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -12.2 | -179.8 | -57.2 | -179.7 | 0 | 0 | 0 | 114 | L486 T489 M494 L499 I502 | L486-L491 HydrophobicContact CD1-CD2 4.48Å; L486-L491 HydrophobicContact CD2-CD2 4.45Å; T489-L491 PolarHBondContact O-N 2.89Å; T489-L491 VanDerWaalsContact O-N 3.08Å; L491-M494 HydrophobicContact CD2-CE 3.42Å; L491-M494 VanDerWaalsContact CD2-CE 3.42Å; L491-L499 HydrophobicContact CB-CD2 4.17Å; L491-L499 HydrophobicContact CD2-CD2 4.2Å; L491-I502 HydrophobicContact CD2-CD1 4.3Å |
| 492 | R | 84.4 | Confident | 85 | Confident | 183 Ų | 183 | 88.5 Ų | 88.5 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -41.8 | -174.4 | -81.3 | 166.2 | -163.5 | -167.4 | 1.3 | 113.6 | P488 T489 M494 | P488-R492 WeakPolarHBondContact O-CD 3.25Å; P488-R492 VanDerWaalsContact O-CG 3.27Å; P488-R492 WeakPolarHBondContact O-CG 3.47Å; P488-R492 PolarHBondContact O-NE 3.01Å; P488-R492 VanDerWaalsContact O-NE 3.08Å; T489-R492 PolarHBondContact O-N 2.83Å; T489-R492 VanDerWaalsContact O-N 3.11Å; R492-M494 PolarHBondContact O-N 2.95Å |
| 493 | D | 84.2 | Confident | 85.8 | Confident | 163 Ų | 163 | 85.9 Ų | 85.9 | 87% | 0.872 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 9 | -174.1 | -56.3 | -39 | 0 | 0 | 0 | 112 | ||
| 494 | M | 83.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 83.3 Ų | 83.3 | 10% | 0.099 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -101 | 138.5 | -173.1 | -170.7 | 150 | 58.3 | 0 | 0 | 111.6 | L471 I477 L491 R492 Q498 L499 I502 | L471-M494 HydrophobicContact CD1-SD 3.9Å; I477-M494 HydrophobicContact CD1-CE 4.26Å; I477-M494 HydrophobicContact CD1-SD 4.47Å; L491-M494 HydrophobicContact CD2-CE 3.42Å; L491-M494 VanDerWaalsContact CD2-CE 3.42Å; R492-M494 PolarHBondContact O-N 2.95Å; M494-Q498 HydrophobicContact CG-CB 3.32Å; M494-Q498 HydrophobicContact CG-CG 4.24Å; M494-Q498 HydrophobicContact SD-CB 3.75Å; M494-L499 HydrophobicContact CB-CG 4.42Å; M494-L499 HydrophobicContact CE-CD2 3.7Å; M494-L499 HydrophobicContact CE-CG 4.21Å; M494-L499 HydrophobicContact CG-CG 4.3Å; M494-I502 HydrophobicContact CE-CD1 3.32Å; M494-I502 HydrophobicContact SD-CD1 4.11Å |
| 495 | T | 90.7 | Very high | 86.8 | Confident | 82 Ų | 82 | 74 Ų | 74 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | trans | -71.4 | 156.4 | -178.5 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | G497 Q498 L499 | T495-G497 PolarHBondContact O-N 3.07Å; T495-Q498 WeakPolarHBondContact O-CB 3.38Å; T495-Q498 PolarHBondContact O-N 3.02Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.4Å; T495-Q498 PolarHBondContact OG1-OE1 3.05Å; T495-L499 PolarHBondContact O-N 2.98Å | ||
| 496 | I | 91.7 | Very high | 87.3 | Confident | 146 Ų | 146 | 75.2 Ų | 75.2 | 75% | 0.749 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -53.9 | -38.6 | 178.5 | -59.3 | 172.4 | 0 | 0 | 0 | 111.6 | L499 Q500 | I496-L499 PolarHBondContact O-N 3.4Å; I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 PolarHBondContact O-N 3.25Å |
| 497 | G | 91.5 | Very high | 88 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T495 Q500 V501 | T495-G497 PolarHBondContact O-N 3.07Å; G497-Q500 PolarHBondContact O-N 2.68Å; G497-V501 WeakPolarHBondContact O-CG2 3.22Å; G497-V501 PolarHBondContact O-N 3.15Å |
| 498 | Q | 90.3 | Very high | 88.4 | Confident | 59 Ų | 59 | 75 Ų | 75 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70.9 | -38 | 176 | -67.1 | 168.4 | -71.5 | 0 | 0 | 111.7 | L471 M494 T495 Q500 V501 I502 | L471-Q498 HydrophobicContact CD2-CB 3.58Å; L471-Q498 HydrophobicContact CD2-CG 3.48Å; L471-Q498 VanDerWaalsContact CD2-CG 3.48Å; M494-Q498 HydrophobicContact CG-CB 3.32Å; M494-Q498 HydrophobicContact CG-CG 4.24Å; M494-Q498 HydrophobicContact SD-CB 3.75Å; T495-Q498 WeakPolarHBondContact O-CB 3.38Å; T495-Q498 PolarHBondContact O-N 3.02Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.4Å; T495-Q498 PolarHBondContact OG1-OE1 3.05Å; Q498-Q500 VanDerWaalsContact C-N 3.33Å; Q498-V501 PolarHBondContact O-N 3.45Å; Q498-I502 PolarHBondContact O-N 3.12Å |
| 499 | L | 90.5 | Very high | 88.8 | Confident | 60 Ų | 60 | 73 Ų | 73 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 170.2 | -72.8 | 163.6 | 0 | 0 | 0 | 111.4 | L491 M494 T495 I496 V501 I502 V503 | L491-L499 HydrophobicContact CB-CD2 4.17Å; L491-L499 HydrophobicContact CD2-CD2 4.2Å; M494-L499 HydrophobicContact CB-CG 4.42Å; M494-L499 HydrophobicContact CE-CD2 3.7Å; M494-L499 HydrophobicContact CE-CG 4.21Å; M494-L499 HydrophobicContact CG-CG 4.3Å; T495-L499 PolarHBondContact O-N 2.98Å; I496-L499 PolarHBondContact O-N 3.4Å; L499-V501 VanDerWaalsContact C-N 3.35Å; L499-V501 PolarHBondContact O-N 3.44Å; L499-I502 PolarHBondContact O-N 2.82Å; L499-V503 WeakPolarHBondContact O-CG2 3.28Å; L499-V503 PolarHBondContact O-N 2.91Å |
| 500 | Q | 92.6 | Very high | 89.2 | Confident | 97 Ų | 97 | 73.9 Ų | 73.9 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.9 | -168.5 | 66.5 | 57.9 | 0 | 0 | 112.4 | I496 G497 Q498 I502 V503 N504 | I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 PolarHBondContact O-N 3.25Å; G497-Q500 PolarHBondContact O-N 2.68Å; Q498-Q500 VanDerWaalsContact C-N 3.33Å; Q500-I502 VanDerWaalsContact C-N 3.34Å; Q500-I502 PolarHBondContact O-N 3.23Å; Q500-V503 PolarHBondContact O-N 3.11Å; Q500-N504 PolarHBondContact NE2-OD1 3.35Å; Q500-N504 WeakPolarHBondContact O-CB 3.22Å; Q500-N504 PolarHBondContact O-N 3.26Å; Q500-N504 PolarHBondContact O-OD1 3.39Å |
| 501 | V | 91.2 | Very high | 90 | Very high | 47 Ų | 47 | 77 Ų | 77 | 29% | 0.285 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 173 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | V467 L470 G497 Q498 L499 D505 | V467-V501 HydrophobicContact CG2-CG1 4.21Å; L470-V501 HydrophobicContact CB-CG1 4.04Å; L470-V501 HydrophobicContact CD1-CG1 3.67Å; G497-V501 WeakPolarHBondContact O-CG2 3.22Å; G497-V501 PolarHBondContact O-N 3.15Å; Q498-V501 PolarHBondContact O-N 3.45Å; L499-V501 VanDerWaalsContact C-N 3.35Å; L499-V501 PolarHBondContact O-N 3.44Å; V501-D505 WeakPolarHBondContact O-CB 3.2Å; V501-D505 PolarHBondContact O-N 2.98Å |
| 502 | I | 88.9 | Confident | 90.3 | Very high | 7 Ų | 7 | 77.3 Ų | 77.3 | 4% | 0.036 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 175.8 | -65.9 | 177.7 | 0 | 0 | 0 | 111.8 | V467 L471 I477 L481 L486 L491 M494 Q498 L499 Q500 N504 D505 L506 | V467-I502 HydrophobicContact CG1-CG1 3.87Å; L471-I502 HydrophobicContact CD1-CD1 3.8Å; L471-I502 HydrophobicContact CD1-CG1 3.86Å; I477-I502 HydrophobicContact CD1-CD1 3.54Å; I477-I502 HydrophobicContact CG1-CD1 4.36Å; L481-I502 HydrophobicContact CD2-CG2 4.05Å; L486-I502 HydrophobicContact CD1-CG2 4.37Å; L491-I502 HydrophobicContact CD2-CD1 4.3Å; M494-I502 HydrophobicContact CE-CD1 3.32Å; M494-I502 HydrophobicContact SD-CD1 4.11Å; Q498-I502 PolarHBondContact O-N 3.12Å; L499-I502 PolarHBondContact O-N 2.82Å; Q500-I502 VanDerWaalsContact C-N 3.34Å; Q500-I502 PolarHBondContact O-N 3.23Å; I502-N504 VanDerWaalsContact C-N 3.34Å; I502-N504 PolarHBondContact O-N 3.4Å; I502-D505 PolarHBondContact O-N 3.46Å; I502-L506 HydrophobicContact CG2-CD1 3.75Å; I502-L506 HydrophobicContact CG2-CG 4.2Å; I502-L506 WeakPolarHBondContact O-CB 3.45Å; I502-L506 WeakPolarHBondContact O-CG 3.38Å; I502-L506 PolarHBondContact O-N 3.41Å |
| 503 | V | 91.2 | Very high | 90.7 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -42 | -179.9 | 168.2 | 0 | 0 | 0 | 0 | 111 | L499 Q500 L506 H507 | L499-V503 WeakPolarHBondContact O-CG2 3.28Å; L499-V503 PolarHBondContact O-N 2.91Å; Q500-V503 PolarHBondContact O-N 3.11Å; V503-L506 PolarHBondContact O-N 3.15Å; V503-H507 WeakPolarHBondContact CG1-CE1 3.18Å; V503-H507 VanDerWaalsContact O-CG 3.27Å; V503-H507 PolarHBondContact O-N 3.07Å; V503-H507 PolarHBondContact O-ND1 2.98Å |
| 504 | N | 93 | Very high | 91.3 | Very high | 83 Ų | 83 | 67.7 Ų | 67.7 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 175.9 | -69.2 | 2.3 | 0 | 0 | 0 | 111.5 | Q500 I502 L506 H507 S508 | Q500-N504 PolarHBondContact NE2-OD1 3.35Å; Q500-N504 WeakPolarHBondContact O-CB 3.22Å; Q500-N504 PolarHBondContact O-N 3.26Å; Q500-N504 PolarHBondContact O-OD1 3.39Å; I502-N504 VanDerWaalsContact C-N 3.34Å; I502-N504 PolarHBondContact O-N 3.4Å; N504-L506 PolarHBondContact O-N 2.85Å; N504-H507 PolarHBondContact O-N 2.89Å; N504-S508 PolarHBondContact O-N 2.88Å; N504-S508 PolarHBondContact O-OG 3.24Å |
| 505 | D | 89.6 | Confident | 91.8 | Very high | 20 Ų | 20 | 72.6 Ų | 72.6 | 11% | 0.107 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 177.8 | -178.7 | 82.8 | 0 | 0 | 0 | 112.5 | S465 P466 V467 V501 I502 S508 Q509 | S465-D505 WeakPolarHBondContact CB-OD2 3.48Å; S465-D505 PolarHBondContact OG-OD1 3.33Å; S465-D505 PolarHBondContact OG-OD2 3.35Å; P466-D505 WeakPolarHBondContact CD-OD1 3.4Å; V467-D505 HydrophobicContact CG2-CB 3.36Å; V501-D505 WeakPolarHBondContact O-CB 3.2Å; V501-D505 PolarHBondContact O-N 2.98Å; I502-D505 PolarHBondContact O-N 3.46Å; D505-S508 PolarHBondContact O-N 2.93Å; D505-Q509 WeakPolarHBondContact O-CB 3.23Å; D505-Q509 WeakPolarHBondContact O-CG 3.09Å; D505-Q509 PolarHBondContact O-N 3.46Å; D505-Q509 PolarHBondContact OD2-NE2 3.43Å |
| 506 | L | 90.2 | Very high | 92 | Very high | 60 Ų | 60 | 71.8 Ų | 71.8 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 174.5 | -76.8 | 174.1 | 0 | 0 | 0 | 112.2 | L481 I502 V503 N504 Q509 I510 | L481-L506 HydrophobicContact CD2-CD1 4.19Å; L481-L506 HydrophobicContact CD2-CD2 3.69Å; L481-L506 HydrophobicContact CD2-CG 3.97Å; I502-L506 HydrophobicContact CG2-CD1 3.75Å; I502-L506 HydrophobicContact CG2-CG 4.2Å; I502-L506 WeakPolarHBondContact O-CB 3.45Å; I502-L506 WeakPolarHBondContact O-CG 3.38Å; I502-L506 PolarHBondContact O-N 3.41Å; V503-L506 PolarHBondContact O-N 3.15Å; N504-L506 PolarHBondContact O-N 2.85Å; L506-Q509 PolarHBondContact O-N 2.85Å; L506-I510 WeakPolarHBondContact O-CB 2.97Å; L506-I510 WeakPolarHBondContact O-CD1 3.47Å; L506-I510 WeakPolarHBondContact O-CG1 3.3Å; L506-I510 PolarHBondContact O-N 3.39Å |
| 507 | H | 93.4 | Very high | 92.2 | Very high | 100 Ų | 100 | 68.9 Ų | 68.9 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 173.2 | -67.8 | 147.2 | 0 | 0 | 0 | 111.4 | V503 N504 Q509 I510 E511 | V503-H507 WeakPolarHBondContact CG1-CE1 3.18Å; V503-H507 VanDerWaalsContact O-CG 3.27Å; V503-H507 PolarHBondContact O-N 3.07Å; V503-H507 PolarHBondContact O-ND1 2.98Å; N504-H507 PolarHBondContact O-N 2.89Å; H507-Q509 VanDerWaalsContact C-N 3.33Å; H507-Q509 PolarHBondContact O-N 3.47Å; H507-I510 WeakPolarHBondContact O-CB 3.41Å; H507-I510 PolarHBondContact O-N 2.96Å; H507-I510 VanDerWaalsContact O-N 3.08Å; H507-E511 WeakPolarHBondContact O-CG 3.34Å; H507-E511 PolarHBondContact O-N 3.13Å |
| 508 | S | 91.8 | Very high | 92.5 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -36 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | N504 D505 S512 | N504-S508 PolarHBondContact O-N 2.88Å; N504-S508 PolarHBondContact O-OG 3.24Å; D505-S508 PolarHBondContact O-N 2.93Å; S508-S512 WeakPolarHBondContact O-CB 3.46Å; S508-S512 PolarHBondContact O-N 2.71Å; S508-S512 PolarHBondContact O-OG 3.23Å; S508-S512 VanDerWaalsContact O-OG 3.13Å |
| 509 | Q | 90.2 | Very high | 92.9 | Very high | 57 Ų | 57 | 72.2 Ų | 72.2 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 171.1 | -79 | -172.4 | 66.7 | 0 | 0 | 111.9 | D505 L506 H507 S512 L513 | D505-Q509 WeakPolarHBondContact O-CB 3.23Å; D505-Q509 WeakPolarHBondContact O-CG 3.09Å; D505-Q509 PolarHBondContact O-N 3.46Å; D505-Q509 PolarHBondContact OD2-NE2 3.43Å; L506-Q509 PolarHBondContact O-N 2.85Å; H507-Q509 VanDerWaalsContact C-N 3.33Å; H507-Q509 PolarHBondContact O-N 3.47Å; Q509-S512 PolarHBondContact O-OG 2.91Å; Q509-L513 VanDerWaalsContact O-CB 3.23Å; Q509-L513 WeakPolarHBondContact O-CB 3.26Å; Q509-L513 WeakPolarHBondContact O-CD1 3.47Å; Q509-L513 WeakPolarHBondContact O-CG 3.24Å; Q509-L513 PolarHBondContact O-N 3.49Å |
| 510 | I | 91.9 | Very high | 93.1 | Very high | 93 Ų | 93 | 73.7 Ų | 73.7 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 177.3 | -72.4 | 162 | 0 | 0 | 0 | 110.4 | L506 H507 N514 | L506-I510 WeakPolarHBondContact O-CB 2.97Å; L506-I510 WeakPolarHBondContact O-CD1 3.47Å; L506-I510 WeakPolarHBondContact O-CG1 3.3Å; L506-I510 PolarHBondContact O-N 3.39Å; H507-I510 WeakPolarHBondContact O-CB 3.41Å; H507-I510 PolarHBondContact O-N 2.96Å; H507-I510 VanDerWaalsContact O-N 3.08Å; I510-N514 WeakPolarHBondContact O-CB 3.48Å; I510-N514 PolarHBondContact O-N 3.14Å; I510-N514 PolarHBondContact O-ND2 3.48Å |
| 511 | E | 94.6 | Very high | 93.3 | Very high | 115 Ų | 115 | 70.9 Ų | 70.9 | 54% | 0.537 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.6 | -54.4 | 175.3 | -71.4 | 163.8 | 177.8 | 0 | 0 | 110.8 | H507 L513 N514 E515 | H507-E511 WeakPolarHBondContact O-CG 3.34Å; H507-E511 PolarHBondContact O-N 3.13Å; E511-L513 PolarHBondContact O-N 2.85Å; E511-N514 PolarHBondContact O-N 3.38Å; E511-N514 VanDerWaalsContact O-N 3.15Å; E511-E515 PolarHBondContact O-N 2.89Å |
| 512 | S | 91.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 73.6 Ų | 73.6 | 41% | 0.413 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | -179.2 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | S508 Q509 N514 E515 E516 | S508-S512 WeakPolarHBondContact O-CB 3.46Å; S508-S512 PolarHBondContact O-N 2.71Å; S508-S512 PolarHBondContact O-OG 3.23Å; S508-S512 VanDerWaalsContact O-OG 3.13Å; Q509-S512 PolarHBondContact O-OG 2.91Å; S512-N514 VanDerWaalsContact C-N 3.35Å; S512-E515 PolarHBondContact O-N 3.45Å; S512-E516 VanDerWaalsContact O-CB 3.26Å; S512-E516 WeakPolarHBondContact O-CB 3.29Å; S512-E516 PolarHBondContact O-N 3.15Å |
| 513 | L | 91.9 | Very high | 94 | Very high | 53 Ų | 53 | 77.1 Ų | 77.1 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.9 | -29 | 177.1 | -73.5 | 169.8 | 0 | 0 | 0 | 112.3 | Q509 E511 L517 | Q509-L513 VanDerWaalsContact O-CB 3.23Å; Q509-L513 WeakPolarHBondContact O-CB 3.26Å; Q509-L513 WeakPolarHBondContact O-CD1 3.47Å; Q509-L513 WeakPolarHBondContact O-CG 3.24Å; Q509-L513 PolarHBondContact O-N 3.49Å; E511-L513 PolarHBondContact O-N 2.85Å; L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 PolarHBondContact O-N 3.25Å |
| 514 | N | 95.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 78.3 Ų | 78.3 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.6 | -40.3 | 173.1 | -72.1 | -29.8 | 0 | 0 | 0 | 111.1 | I510 E511 S512 L517 V518 | I510-N514 WeakPolarHBondContact O-CB 3.48Å; I510-N514 PolarHBondContact O-N 3.14Å; I510-N514 PolarHBondContact O-ND2 3.48Å; E511-N514 PolarHBondContact O-N 3.38Å; E511-N514 VanDerWaalsContact O-N 3.15Å; S512-N514 VanDerWaalsContact C-N 3.35Å; N514-L517 PolarHBondContact O-N 2.92Å; N514-V518 WeakPolarHBondContact O-CG2 3.25Å; N514-V518 PolarHBondContact O-N 3.39Å |
| 515 | E | 96.1 | Very high | 94.4 | Very high | 124 Ų | 124 | 77.9 Ų | 77.9 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63 | -47.5 | 172.9 | -70.5 | 180 | 179.4 | 0 | 0 | 111.7 | E511 S512 L517 V518 Q519 | E511-E515 PolarHBondContact O-N 2.89Å; S512-E515 PolarHBondContact O-N 3.45Å; E515-L517 VanDerWaalsContact C-N 3.33Å; E515-L517 PolarHBondContact O-N 2.85Å; E515-V518 PolarHBondContact O-N 2.89Å; E515-Q519 VanDerWaalsContact O-CG 3.29Å; E515-Q519 WeakPolarHBondContact O-CG 3.39Å; E515-Q519 PolarHBondContact O-N 2.86Å |
| 516 | E | 94.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 83.2 Ų | 83.2 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56 | -46.3 | 174.2 | -173.3 | -172.3 | 138.7 | 0 | 0 | 110.9 | R462 S512 Q519 L520 | R462-E516 IonicContact CZ-OE1 2.64Å; R462-E516 IonicContact NE-OE1 3.03Å; R462-E516 IonicContact NE-OE2 2.97Å; R462-E516 IonicContact NH2-OE1 3.66Å; R462-E516 PolarHBondContact NH2-OE1 3.49Å; S512-E516 VanDerWaalsContact O-CB 3.26Å; S512-E516 WeakPolarHBondContact O-CB 3.29Å; S512-E516 PolarHBondContact O-N 3.15Å; E516-Q519 PolarHBondContact O-N 3.39Å; E516-L520 HydrophobicContact CG-CD1 4.05Å; E516-L520 WeakPolarHBondContact O-CB 3.42Å; E516-L520 VanDerWaalsContact O-CG 3.28Å; E516-L520 WeakPolarHBondContact O-CG 3.19Å; E516-L520 PolarHBondContact O-N 3.07Å |
| 517 | L | 96.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 85 Ų | 85 | 45% | 0.445 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 177.3 | 177.5 | 61.5 | 0 | 0 | 0 | 112.6 | L513 N514 E515 L521 | L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 PolarHBondContact O-N 3.25Å; N514-L517 PolarHBondContact O-N 2.92Å; E515-L517 VanDerWaalsContact C-N 3.33Å; E515-L517 PolarHBondContact O-N 2.85Å; L517-L521 HydrophobicContact CD1-CD1 3.99Å; L517-L521 HydrophobicContact CD1-CG 4.1Å; L517-L521 HydrophobicContact CG-CD1 3.95Å; L517-L521 HydrophobicContact CG-CG 4.47Å; L517-L521 WeakPolarHBondContact O-CB 3.38Å; L517-L521 WeakPolarHBondContact O-CD1 3.42Å; L517-L521 WeakPolarHBondContact O-CG 3.18Å; L517-L521 PolarHBondContact O-N 2.89Å |
| 518 | V | 98.1 | Very high | 95.2 | Very high | 59 Ų | 59 | 84.6 Ų | 84.6 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 111 | N514 E515 L521 L522 | N514-V518 WeakPolarHBondContact O-CG2 3.25Å; N514-V518 PolarHBondContact O-N 3.39Å; E515-V518 PolarHBondContact O-N 2.89Å; V518-L521 PolarHBondContact O-N 3.19Å; V518-L522 HydrophobicContact CG1-CD1 4.12Å; V518-L522 WeakPolarHBondContact O-CG 3.29Å; V518-L522 PolarHBondContact O-N 2.9Å |
| 519 | Q | 97.1 | Very high | 95.5 | Very high | 116 Ų | 116 | 86.1 Ų | 86.1 | 54% | 0.542 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 176.2 | -69.8 | 167.9 | 32.9 | 0 | 0 | 111.5 | E515 E516 L521 L522 I523 | E515-Q519 VanDerWaalsContact O-CG 3.29Å; E515-Q519 WeakPolarHBondContact O-CG 3.39Å; E515-Q519 PolarHBondContact O-N 2.86Å; E516-Q519 PolarHBondContact O-N 3.39Å; Q519-L521 VanDerWaalsContact C-N 3.32Å; Q519-L521 PolarHBondContact O-N 2.96Å; Q519-L522 PolarHBondContact O-N 3.24Å; Q519-I523 WeakPolarHBondContact O-CG1 3.35Å; Q519-I523 PolarHBondContact O-N 3.35Å |
| 520 | L | 94.7 | Very high | 95.8 | Very high | 91 Ų | 91 | 88.6 Ų | 88.6 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 177.6 | -70.3 | 171.9 | 0 | 0 | 0 | 113 | E516 R524 | E516-L520 HydrophobicContact CG-CD1 4.05Å; E516-L520 WeakPolarHBondContact O-CB 3.42Å; E516-L520 VanDerWaalsContact O-CG 3.28Å; E516-L520 WeakPolarHBondContact O-CG 3.19Å; E516-L520 PolarHBondContact O-N 3.07Å; L520-R524 VanDerWaalsContact O-CB 3.29Å; L520-R524 WeakPolarHBondContact O-CB 3.46Å; L520-R524 PolarHBondContact O-N 2.84Å |
| 521 | L | 97.2 | Very high | 96 | Very high | 39 Ų | 39 | 88.8 Ų | 88.8 | 20% | 0.204 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.7 | -39 | 174 | -74.6 | 169.3 | 0 | 0 | 0 | 112.2 | L517 V518 Q519 R524 D525 | L517-L521 HydrophobicContact CD1-CD1 3.99Å; L517-L521 HydrophobicContact CD1-CG 4.1Å; L517-L521 HydrophobicContact CG-CD1 3.95Å; L517-L521 HydrophobicContact CG-CG 4.47Å; L517-L521 WeakPolarHBondContact O-CB 3.38Å; L517-L521 WeakPolarHBondContact O-CD1 3.42Å; L517-L521 WeakPolarHBondContact O-CG 3.18Å; L517-L521 PolarHBondContact O-N 2.89Å; V518-L521 PolarHBondContact O-N 3.19Å; Q519-L521 VanDerWaalsContact C-N 3.32Å; Q519-L521 PolarHBondContact O-N 2.96Å; L521-R524 VanDerWaalsContact CD2-NH1 3.27Å; L521-D525 VanDerWaalsContact O-CG 3.25Å; L521-D525 PolarHBondContact O-N 3.38Å; L521-D525 VanDerWaalsContact O-N 3.12Å |
| 522 | L | 97.3 | Very high | 96.1 | Very high | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.3 | -48.6 | 175.2 | -70.9 | 168.8 | 0 | 0 | 0 | 111.3 | V518 Q519 R524 D525 E526 | V518-L522 HydrophobicContact CG1-CD1 4.12Å; V518-L522 WeakPolarHBondContact O-CG 3.29Å; V518-L522 PolarHBondContact O-N 2.9Å; Q519-L522 PolarHBondContact O-N 3.24Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 3.31Å; L522-D525 PolarHBondContact O-N 2.85Å; L522-E526 PolarHBondContact O-N 2.78Å |
| 523 | I | 97.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 87.7 Ų | 87.7 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 177.2 | -67.1 | 163.5 | 0 | 0 | 0 | 110.9 | Q519 D525 E526 L527 | Q519-I523 WeakPolarHBondContact O-CG1 3.35Å; Q519-I523 PolarHBondContact O-N 3.35Å; I523-D525 PolarHBondContact O-N 3.37Å; I523-E526 PolarHBondContact O-N 2.86Å; I523-L527 HydrophobicContact CG2-CD1 3.86Å; I523-L527 HydrophobicContact CG2-CG 4.33Å; I523-L527 WeakPolarHBondContact O-CB 3.47Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.3Å; I523-L527 PolarHBondContact O-N 3.39Å |
| 524 | R | 96.5 | Very high | 96.5 | Very high | 83 Ų | 83 | 89.9 Ų | 89.9 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 174 | -177.9 | -149.6 | 61.5 | -161.5 | -7.9 | 112 | L520 L521 L522 L527 H528 | L520-R524 VanDerWaalsContact O-CB 3.29Å; L520-R524 WeakPolarHBondContact O-CB 3.46Å; L520-R524 PolarHBondContact O-N 2.84Å; L521-R524 VanDerWaalsContact CD2-NH1 3.27Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 3.31Å; R524-L527 PolarHBondContact O-N 3.05Å; R524-H528 WeakPolarHBondContact O-CB 3.3Å; R524-H528 PolarHBondContact O-CD2 3.28Å; R524-H528 VanDerWaalsContact O-CD2 3.22Å; R524-H528 PolarHBondContact O-N 2.92Å |
| 525 | D | 97.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 90.2 Ų | 90.2 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74.1 | -29.7 | -177.9 | -66.9 | -18.3 | 0 | 0 | 0 | 111.9 | L521 L522 I523 T529 | L521-D525 VanDerWaalsContact O-CG 3.25Å; L521-D525 PolarHBondContact O-N 3.38Å; L521-D525 VanDerWaalsContact O-N 3.12Å; L522-D525 PolarHBondContact O-N 2.85Å; I523-D525 PolarHBondContact O-N 3.37Å; D525-T529 PolarHBondContact O-N 3.46Å; D525-T529 VanDerWaalsContact O-N 3.1Å; D525-T529 PolarHBondContact O-OG1 3.29Å |
| 526 | E | 97.3 | Very high | 96.5 | Very high | 133 Ų | 133 | 86.6 Ų | 86.6 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -51.3 | 167.9 | -174.2 | 167.9 | -150.3 | 0 | 0 | 111.5 | L522 I523 H528 T529 E530 | L522-E526 PolarHBondContact O-N 2.78Å; I523-E526 PolarHBondContact O-N 2.86Å; E526-H528 VanDerWaalsContact C-N 3.32Å; E526-H528 PolarHBondContact O-N 3.37Å; E526-T529 CarbonylContact O-C 3.59Å; E526-T529 WeakPolarHBondContact O-CA 3.36Å; E526-T529 WeakPolarHBondContact O-CB 3.5Å; E526-T529 PolarHBondContact O-N 3.4Å; E526-E530 PolarHBondContact O-N 3.46Å |
| 527 | L | 96.2 | Very high | 96.6 | Very high | 97 Ų | 97 | 88.2 Ų | 88.2 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -33.7 | 176.5 | -71.5 | 170.1 | 0 | 0 | 0 | 113.2 | I523 R524 T529 Q531 | I523-L527 HydrophobicContact CG2-CD1 3.86Å; I523-L527 HydrophobicContact CG2-CG 4.33Å; I523-L527 WeakPolarHBondContact O-CB 3.47Å; I523-L527 VanDerWaalsContact O-CG 3.26Å; I523-L527 WeakPolarHBondContact O-CG 3.3Å; I523-L527 PolarHBondContact O-N 3.39Å; R524-L527 PolarHBondContact O-N 3.05Å; L527-T529 VanDerWaalsContact C-N 3.35Å; L527-Q531 VanDerWaalsContact O-CB 3.27Å; L527-Q531 WeakPolarHBondContact O-CB 3.43Å; L527-Q531 PolarHBondContact O-N 3.49Å |
| 528 | H | 96.1 | Very high | 96.3 | Very high | 91 Ų | 91 | 88.8 Ų | 88.8 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.3 | -34.7 | 170.8 | -79.6 | -48 | 0 | 0 | 0 | 112.2 | R524 E526 Q531 D532 | R524-H528 WeakPolarHBondContact O-CB 3.3Å; R524-H528 PolarHBondContact O-CD2 3.28Å; R524-H528 VanDerWaalsContact O-CD2 3.22Å; R524-H528 PolarHBondContact O-N 2.92Å; E526-H528 VanDerWaalsContact C-N 3.32Å; E526-H528 PolarHBondContact O-N 3.37Å; H528-Q531 PolarHBondContact ND1-OE1 3.14Å; H528-Q531 PolarHBondContact O-N 2.69Å; H528-D532 WeakPolarHBondContact O-CB 3.39Å; H528-D532 PolarHBondContact O-N 3.44Å |
| 529 | T | 97.3 | Very high | 96.2 | Very high | 99 Ų | 99 | 90.9 Ų | 90.9 | 61% | 0.607 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.7 | -39.1 | 175.7 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | D525 E526 L527 D532 A533 | D525-T529 PolarHBondContact O-N 3.46Å; D525-T529 VanDerWaalsContact O-N 3.1Å; D525-T529 PolarHBondContact O-OG1 3.29Å; E526-T529 CarbonylContact O-C 3.59Å; E526-T529 WeakPolarHBondContact O-CA 3.36Å; E526-T529 WeakPolarHBondContact O-CB 3.5Å; E526-T529 PolarHBondContact O-N 3.4Å; L527-T529 VanDerWaalsContact C-N 3.35Å; T529-D532 PolarHBondContact O-N 2.97Å; T529-A533 WeakPolarHBondContact O-CB 3.27Å; T529-A533 PolarHBondContact O-N 3.42Å |
| 530 | E | 96.7 | Very high | 96.1 | Very high | 109 Ų | 109 | 89.2 Ų | 89.2 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 172.6 | -167.8 | -176.3 | -177.1 | 0 | 0 | 111.6 | E526 A533 M534 | E526-E530 PolarHBondContact O-N 3.46Å; E530-A533 PolarHBondContact O-N 2.84Å; E530-M534 HydrophobicContact CG-CE 4.23Å; E530-M534 WeakPolarHBondContact O-CG 3.49Å; E530-M534 PolarHBondContact O-N 3.47Å |
| 531 | Q | 95.6 | Very high | 96.1 | Very high | 97 Ų | 97 | 90.5 Ų | 90.5 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 173.5 | 176.7 | 171.6 | 51.2 | 0 | 0 | 112.4 | L527 H528 A533 M534 L535 | L527-Q531 VanDerWaalsContact O-CB 3.27Å; L527-Q531 WeakPolarHBondContact O-CB 3.43Å; L527-Q531 PolarHBondContact O-N 3.49Å; H528-Q531 PolarHBondContact ND1-OE1 3.14Å; H528-Q531 PolarHBondContact O-N 2.69Å; Q531-A533 VanDerWaalsContact C-N 3.28Å; Q531-A533 PolarHBondContact O-N 3.49Å; Q531-M534 PolarHBondContact O-N 2.82Å; Q531-L535 HydrophobicContact CG-CD1 4.1Å; Q531-L535 WeakPolarHBondContact O-CB 3.27Å; Q531-L535 VanDerWaalsContact O-CG 3.29Å; Q531-L535 WeakPolarHBondContact O-CG 3.11Å; Q531-L535 PolarHBondContact O-N 2.62Å |
| 532 | D | 97 | Very high | 95.8 | Very high | 100 Ų | 100 | 92.1 Ų | 92.1 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 176.4 | -95.1 | 6.2 | 0 | 0 | 0 | 111.9 | H528 T529 V536 | H528-D532 WeakPolarHBondContact O-CB 3.39Å; H528-D532 PolarHBondContact O-N 3.44Å; T529-D532 PolarHBondContact O-N 2.97Å; D532-V536 WeakPolarHBondContact O-CG2 3.39Å; D532-V536 PolarHBondContact O-N 2.95Å |
| 533 | A | 97.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 93.2 Ų | 93.2 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.8 | -51.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T529 E530 Q531 L535 V536 D537 | T529-A533 WeakPolarHBondContact O-CB 3.27Å; T529-A533 PolarHBondContact O-N 3.42Å; E530-A533 PolarHBondContact O-N 2.84Å; Q531-A533 VanDerWaalsContact C-N 3.28Å; Q531-A533 PolarHBondContact O-N 3.49Å; A533-L535 PolarHBondContact O-N 3.48Å; A533-V536 WeakPolarHBondContact O-CB 3.38Å; A533-V536 PolarHBondContact O-N 2.93Å; A533-D537 PolarHBondContact O-N 3.23Å |
| 534 | M | 95.9 | Very high | 95.4 | Very high | 98 Ų | 98 | 94.2 Ų | 94.2 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.4 | -35.6 | 176.9 | -72.7 | -172.6 | -71.5 | 0 | 0 | 112.7 | E530 Q531 D537 I538 | E530-M534 HydrophobicContact CG-CE 4.23Å; E530-M534 WeakPolarHBondContact O-CG 3.49Å; E530-M534 PolarHBondContact O-N 3.47Å; Q531-M534 PolarHBondContact O-N 2.82Å; M534-D537 PolarHBondContact O-N 3.43Å; M534-I538 WeakPolarHBondContact O-CB 3.42Å; M534-I538 WeakPolarHBondContact O-CD1 3.15Å; M534-I538 WeakPolarHBondContact O-CG1 3.44Å; M534-I538 PolarHBondContact O-N 2.87Å |
| 535 | L | 94 | Very high | 95.1 | Very high | 97 Ų | 97 | 93 Ų | 93 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 175.7 | -73.6 | 172 | 0 | 0 | 0 | 112.6 | Q531 A533 E539 | Q531-L535 HydrophobicContact CG-CD1 4.1Å; Q531-L535 WeakPolarHBondContact O-CB 3.27Å; Q531-L535 VanDerWaalsContact O-CG 3.29Å; Q531-L535 WeakPolarHBondContact O-CG 3.11Å; Q531-L535 PolarHBondContact O-N 2.62Å; A533-L535 PolarHBondContact O-N 3.48Å; L535-E539 PolarHBondContact O-N 3.1Å |
| 536 | V | 96.7 | Very high | 94.8 | Very high | 48 Ų | 48 | 93.7 Ų | 93.7 | 29% | 0.291 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.9 | -43.8 | 172.3 | 169.8 | 0 | 0 | 0 | 0 | 111 | D532 A533 I538 E539 D540 | D532-V536 WeakPolarHBondContact O-CG2 3.39Å; D532-V536 PolarHBondContact O-N 2.95Å; A533-V536 WeakPolarHBondContact O-CB 3.38Å; A533-V536 PolarHBondContact O-N 2.93Å; V536-I538 VanDerWaalsContact C-N 3.3Å; V536-I538 PolarHBondContact O-N 2.99Å; V536-E539 PolarHBondContact O-N 2.97Å; V536-E539 VanDerWaalsContact O-N 3.12Å; V536-D540 PolarHBondContact O-N 3.4Å |
| 537 | D | 96.3 | Very high | 94.5 | Very high | 99 Ų | 99 | 90.3 Ų | 90.3 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 175.9 | -69.1 | -31.3 | 0 | 0 | 0 | 111.3 | A533 M534 L541 | A533-D537 PolarHBondContact O-N 3.23Å; M534-D537 PolarHBondContact O-N 3.43Å; D537-L541 VanDerWaalsContact O-CB 3.23Å; D537-L541 WeakPolarHBondContact O-CB 3.3Å; D537-L541 WeakPolarHBondContact O-CG 3.38Å; D537-L541 PolarHBondContact O-N 2.9Å |
| 538 | I | 91.5 | Very high | 94.2 | Very high | 98 Ų | 98 | 89.9 Ų | 89.9 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.8 | -70 | 163.8 | 0 | 0 | 0 | 111.4 | M534 V536 T542 | M534-I538 WeakPolarHBondContact O-CB 3.42Å; M534-I538 WeakPolarHBondContact O-CD1 3.15Å; M534-I538 WeakPolarHBondContact O-CG1 3.44Å; M534-I538 PolarHBondContact O-N 2.87Å; V536-I538 VanDerWaalsContact C-N 3.3Å; V536-I538 PolarHBondContact O-N 2.99Å; I538-T542 VanDerWaalsContact O-CB 3.26Å; I538-T542 WeakPolarHBondContact O-CB 3.31Å; I538-T542 PolarHBondContact O-N 3.22Å; I538-T542 PolarHBondContact O-OG1 2.92Å |
| 539 | E | 94 | Very high | 93.8 | Very high | 103 Ų | 103 | 92.4 Ų | 92.4 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 177.7 | -161.9 | -168.8 | 148.7 | 0 | 0 | 111.1 | L535 V536 T542 R543 | L535-E539 PolarHBondContact O-N 3.1Å; V536-E539 PolarHBondContact O-N 2.97Å; V536-E539 VanDerWaalsContact O-N 3.12Å; E539-T542 PolarHBondContact O-N 3.16Å; E539-R543 VanDerWaalsContact O-CB 3.29Å; E539-R543 WeakPolarHBondContact O-CB 3.46Å; E539-R543 PolarHBondContact O-N 2.95Å; E539-R543 IonicContact OE1-CZ 3.37Å; E539-R543 IonicContact OE1-NH1 3.15Å; E539-R543 PolarHBondContact OE1-NH1 2.94Å; E539-R543 VanDerWaalsContact OE1-NH1 3.15Å; E539-R543 IonicContact OE1-NH2 2.7Å; E539-R543 PolarHBondContact OE1-NH2 3.16Å |
| 540 | D | 95.8 | Very high | 93.3 | Very high | 81 Ų | 81 | 93.3 Ų | 93.3 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.2 | -34.4 | -177.6 | -80 | -18 | 0 | 0 | 0 | 113.2 | V536 T542 R543 H544 | V536-D540 PolarHBondContact O-N 3.4Å; D540-T542 VanDerWaalsContact C-N 3.35Å; D540-R543 PolarHBondContact O-N 3.04Å; D540-R543 IonicContact OD1-CZ 2.98Å; D540-R543 IonicContact OD1-NE 2.88Å; D540-R543 PolarHBondContact OD1-NE 2.94Å; D540-R543 IonicContact OD1-NH2 2.71Å; D540-R543 PolarHBondContact OD1-NH2 3.46Å; D540-H544 WeakPolarHBondContact O-CB 3.37Å; D540-H544 PolarHBondContact O-N 3.28Å |
| 541 | L | 94 | Very high | 92.8 | Very high | 118 Ų | 118 | 92.7 Ų | 92.7 | 62% | 0.618 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 169 | -75.3 | 171.2 | 0 | 0 | 0 | 111.6 | D537 H544 A545 | D537-L541 VanDerWaalsContact O-CB 3.23Å; D537-L541 WeakPolarHBondContact O-CB 3.3Å; D537-L541 WeakPolarHBondContact O-CG 3.38Å; D537-L541 PolarHBondContact O-N 2.9Å; L541-H544 PolarHBondContact O-N 3.32Å; L541-A545 WeakPolarHBondContact O-CB 3.42Å; L541-A545 PolarHBondContact O-N 2.96Å |
| 542 | T | 90.8 | Very high | 92.1 | Very high | 72 Ų | 72 | 93.9 Ų | 93.9 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | I538 E539 D540 H544 A545 E546 | I538-T542 VanDerWaalsContact O-CB 3.26Å; I538-T542 WeakPolarHBondContact O-CB 3.31Å; I538-T542 PolarHBondContact O-N 3.22Å; I538-T542 PolarHBondContact O-OG1 2.92Å; E539-T542 PolarHBondContact O-N 3.16Å; D540-T542 VanDerWaalsContact C-N 3.35Å; T542-H544 VanDerWaalsContact C-N 3.31Å; T542-H544 PolarHBondContact O-N 2.8Å; T542-A545 PolarHBondContact O-N 3.04Å; T542-E546 PolarHBondContact O-N 3.43Å |
| 543 | R | 93.4 | Very high | 91.4 | Very high | 126 Ų | 126 | 91.8 Ų | 91.8 | 48% | 0.475 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 175.9 | -164.6 | -164.5 | -40.7 | -70.9 | 5.7 | 111.9 | E539 D540 S547 | E539-R543 VanDerWaalsContact O-CB 3.29Å; E539-R543 WeakPolarHBondContact O-CB 3.46Å; E539-R543 PolarHBondContact O-N 2.95Å; E539-R543 IonicContact OE1-CZ 3.37Å; E539-R543 IonicContact OE1-NH1 3.15Å; E539-R543 PolarHBondContact OE1-NH1 2.94Å; E539-R543 VanDerWaalsContact OE1-NH1 3.15Å; E539-R543 IonicContact OE1-NH2 2.7Å; E539-R543 PolarHBondContact OE1-NH2 3.16Å; D540-R543 PolarHBondContact O-N 3.04Å; D540-R543 IonicContact OD1-CZ 2.98Å; D540-R543 IonicContact OD1-NE 2.88Å; D540-R543 PolarHBondContact OD1-NE 2.94Å; D540-R543 IonicContact OD1-NH2 2.71Å; D540-R543 PolarHBondContact OD1-NH2 3.46Å; R543-S547 WeakPolarHBondContact O-CB 3.34Å; R543-S547 PolarHBondContact O-N 3.13Å |
| 544 | H | 93.6 | Very high | 90.5 | Very high | 103 Ų | 103 | 97 Ų | 97 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 176 | 177.3 | -135.7 | 0 | 0 | 0 | 111.5 | D540 L541 T542 E546 S547 Q548 | D540-H544 WeakPolarHBondContact O-CB 3.37Å; D540-H544 PolarHBondContact O-N 3.28Å; L541-H544 PolarHBondContact O-N 3.32Å; T542-H544 VanDerWaalsContact C-N 3.31Å; T542-H544 PolarHBondContact O-N 2.8Å; H544-E546 PolarHBondContact O-N 3.32Å; H544-S547 PolarHBondContact O-N 3.43Å; H544-S547 VanDerWaalsContact O-N 3.14Å; H544-S547 PolarHBondContact O-OG 2.99Å; H544-Q548 PolarHBondContact CE1-NE2 3.33Å; H544-Q548 PolarHBondContact NE2-NE2 3.37Å; H544-Q548 PolarHBondContact O-N 3.21Å |
| 545 | A | 90.1 | Very high | 89.4 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L541 T542 S547 Q548 Q549 | L541-A545 WeakPolarHBondContact O-CB 3.42Å; L541-A545 PolarHBondContact O-N 2.96Å; T542-A545 PolarHBondContact O-N 3.04Å; A545-S547 VanDerWaalsContact C-N 3.33Å; A545-S547 PolarHBondContact O-N 2.93Å; A545-Q548 PolarHBondContact O-N 3.24Å; A545-Q549 PolarHBondContact O-N 3.31Å |
| 546 | E | 90.9 | Very high | 87.8 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 171.9 | -81.2 | -169.9 | -146.1 | 0 | 0 | 112.5 | T542 H544 Q548 Q549 K550 | T542-E546 PolarHBondContact O-N 3.43Å; H544-E546 PolarHBondContact O-N 3.32Å; E546-Q548 VanDerWaalsContact C-N 3.32Å; E546-Q548 PolarHBondContact O-N 3.36Å; E546-Q549 PolarHBondContact O-N 2.91Å; E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CD 3.32Å; E546-K550 VanDerWaalsContact O-CG 3.3Å; E546-K550 WeakPolarHBondContact O-CG 3.41Å; E546-K550 PolarHBondContact O-N 2.73Å; E546-K550 IonicContact OE2-NZ 2.62Å; E546-K550 PolarHBondContact OE2-NZ 3.04Å |
| 547 | S | 92 | Very high | 85.7 | Confident | 61 Ų | 61 | 104.1 Ų | 104.1 | 43% | 0.427 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | -179.7 | 78.7 | 0 | 0 | 0 | 0 | 111.6 | R543 H544 A545 H551 | R543-S547 WeakPolarHBondContact O-CB 3.34Å; R543-S547 PolarHBondContact O-N 3.13Å; H544-S547 PolarHBondContact O-N 3.43Å; H544-S547 VanDerWaalsContact O-N 3.14Å; H544-S547 PolarHBondContact O-OG 2.99Å; A545-S547 VanDerWaalsContact C-N 3.33Å; A545-S547 PolarHBondContact O-N 2.93Å; S547-H551 WeakPolarHBondContact O-CB 3.35Å; S547-H551 PolarHBondContact O-N 3.35Å |
| 548 | Q | 89.2 | Confident | 83.7 | Confident | 89 Ų | 89 | 104.7 Ų | 104.7 | 42% | 0.416 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 173 | -67.5 | -162.5 | 19.4 | 0 | 0 | 111.3 | H544 A545 E546 K550 H551 M552 | H544-Q548 PolarHBondContact CE1-NE2 3.33Å; H544-Q548 PolarHBondContact NE2-NE2 3.37Å; H544-Q548 PolarHBondContact O-N 3.21Å; A545-Q548 PolarHBondContact O-N 3.24Å; E546-Q548 VanDerWaalsContact C-N 3.32Å; E546-Q548 PolarHBondContact O-N 3.36Å; Q548-K550 PolarHBondContact O-N 3.38Å; Q548-H551 PolarHBondContact O-N 3.12Å; Q548-M552 WeakPolarHBondContact O-CB 3.45Å; Q548-M552 VanDerWaalsContact O-CG 3.31Å; Q548-M552 WeakPolarHBondContact O-CG 3.44Å; Q548-M552 PolarHBondContact O-N 2.91Å |
| 549 | Q | 87 | Confident | 81.4 | Confident | 143 Ų | 143 | 113.1 Ų | 113.1 | 67% | 0.668 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62 | -42.8 | 178.7 | -171.4 | 177.6 | 0.1 | 0 | 0 | 112.1 | A545 E546 M552 A553 | A545-Q549 PolarHBondContact O-N 3.31Å; E546-Q549 PolarHBondContact O-N 2.91Å; Q549-M552 PolarHBondContact O-N 2.75Å; Q549-A553 WeakPolarHBondContact O-CB 3.45Å; Q549-A553 PolarHBondContact O-N 3.3Å |
| 550 | K | 88.3 | Confident | 80.7 | Confident | 119 Ų | 119 | 113.7 Ų | 113.7 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.2 | -49.8 | 174.6 | -72.8 | 160.8 | 179.7 | 164.7 | 0 | 111 | E546 Q548 M552 A553 E554 | E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CD 3.32Å; E546-K550 VanDerWaalsContact O-CG 3.3Å; E546-K550 WeakPolarHBondContact O-CG 3.41Å; E546-K550 PolarHBondContact O-N 2.73Å; E546-K550 IonicContact OE2-NZ 2.62Å; E546-K550 PolarHBondContact OE2-NZ 3.04Å; Q548-K550 PolarHBondContact O-N 3.38Å; K550-M552 VanDerWaalsContact C-N 3.32Å; K550-M552 PolarHBondContact O-N 3.33Å; K550-A553 PolarHBondContact O-N 3.31Å; K550-A553 VanDerWaalsContact O-N 3.13Å; K550-E554 WeakPolarHBondContact O-CG 3.2Å; K550-E554 PolarHBondContact O-N 3.29Å |
| 551 | H | 86 | Confident | 79.9 | Confident | 96 Ų | 96 | 115.4 Ų | 115.4 | 44% | 0.444 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -28.4 | 177.5 | 173.1 | -129.1 | 0 | 0 | 0 | 114 | S547 Q548 K555 | S547-H551 WeakPolarHBondContact O-CB 3.35Å; S547-H551 PolarHBondContact O-N 3.35Å; Q548-H551 PolarHBondContact O-N 3.12Å; H551-K555 PolarHBondContact CE1-NZ 2.9Å; H551-K555 VanDerWaalsContact CE1-NZ 3.32Å; H551-K555 VanDerWaalsContact NE2-CE 3.32Å; H551-K555 WeakPolarHBondContact NE2-CE 3.46Å; H551-K555 PolarHBondContact NE2-NZ 3.33Å; H551-K555 WeakPolarHBondContact O-CB 3.45Å; H551-K555 WeakPolarHBondContact O-CG 3.42Å; H551-K555 PolarHBondContact O-N 2.87Å |
| 552 | M | 80.5 | Confident | 79.2 | Confident | 121 Ų | 121 | 115.2 Ų | 115.2 | 60% | 0.596 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.9 | -41.3 | 169.8 | -73.9 | -175.2 | -171.7 | 0 | 0 | 111.8 | Q548 Q549 K550 K555 M556 | Q548-M552 WeakPolarHBondContact O-CB 3.45Å; Q548-M552 VanDerWaalsContact O-CG 3.31Å; Q548-M552 WeakPolarHBondContact O-CG 3.44Å; Q548-M552 PolarHBondContact O-N 2.91Å; Q549-M552 PolarHBondContact O-N 2.75Å; K550-M552 VanDerWaalsContact C-N 3.32Å; K550-M552 PolarHBondContact O-N 3.33Å; M552-K555 PolarHBondContact O-N 3.13Å; M552-M556 PolarHBondContact O-N 3.25Å |
| 553 | A | 82.5 | Confident | 78.5 | Confident | 56 Ų | 56 | 117.8 Ų | 117.8 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.9 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q549 K550 K555 M556 | Q549-A553 WeakPolarHBondContact O-CB 3.45Å; Q549-A553 PolarHBondContact O-N 3.3Å; K550-A553 PolarHBondContact O-N 3.31Å; K550-A553 VanDerWaalsContact O-N 3.13Å; A553-K555 PolarHBondContact O-N 3.24Å; A553-M556 PolarHBondContact O-N 3.17Å; A553-M556 VanDerWaalsContact O-N 3.13Å |
| 554 | E | 78.4 | Confident | 77.5 | Confident | 162 Ų | 162 | 117.3 Ų | 117.3 | 76% | 0.757 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.6 | -27.5 | 174.3 | -72.6 | 176.2 | 176.6 | 0 | 0 | 113.3 | K550 | K550-E554 WeakPolarHBondContact O-CG 3.2Å; K550-E554 PolarHBondContact O-N 3.29Å |
| 555 | K | 73.5 | Confident | 76.5 | Confident | 145 Ų | 145 | 118.2 Ų | 118.2 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -87.2 | -9.2 | 178 | -79.6 | 178.2 | 169.2 | 174.1 | 0 | 114.3 | H551 M552 A553 P557 | H551-K555 PolarHBondContact CE1-NZ 2.9Å; H551-K555 VanDerWaalsContact CE1-NZ 3.32Å; H551-K555 VanDerWaalsContact NE2-CE 3.32Å; H551-K555 WeakPolarHBondContact NE2-CE 3.46Å; H551-K555 PolarHBondContact NE2-NZ 3.33Å; H551-K555 WeakPolarHBondContact O-CB 3.45Å; H551-K555 WeakPolarHBondContact O-CG 3.42Å; H551-K555 PolarHBondContact O-N 2.87Å; M552-K555 PolarHBondContact O-N 3.13Å; A553-K555 PolarHBondContact O-N 3.24Å; K555-P557 WeakPolarHBondContact O-CD 3.36Å |
| 556 | M | 60 | Low | 75.5 | Confident | 140 Ų | 140 | 122.6 Ų | 122.6 | 69% | 0.69 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -81.7 | 114.7 | 168 | -70.7 | -158.5 | -69 | 0 | 0 | 109.2 | M552 A553 A558 | M552-M556 PolarHBondContact O-N 3.25Å; A553-M556 PolarHBondContact O-N 3.17Å; A553-M556 VanDerWaalsContact O-N 3.13Å; M556-A558 PolarHBondContact O-N 3.29Å |
| 557 | P | 52.7 | Low | 74.3 | Confident | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | trans | -64.9 | 129.7 | 175.9 | 27.5 | -33.6 | 0 | 0 | 0 | 109.5 | K555 K559 | K555-P557 WeakPolarHBondContact O-CD 3.36Å; P557-K559 PolarHBondContact O-N 2.86Å | ||
| 558 | A | 54.6 | Low | 72.9 | Confident | 110 Ų | 110 | 130.4 Ų | 130.4 | 91% | 0.909 | 67% | 0.666 | S | S | * | * | trans | -55.5 | 128.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | M556 | M556-A558 PolarHBondContact O-N 3.29Š| ||
| 559 | K | 41.5 | Very low | 71.4 | Confident | 276 Ų | 276 | 134.2 Ų | 134.2 | 100% | 1.2 | 69% | 0.689 | S | S | * | * | trans | -98.9 | 0 | -177.3 | -80.7 | -178 | 173.5 | 174.9 | 0 | 111.8 | P557 | P557-K559 PolarHBondContact O-N 2.86Š|
Retrieved 559 of 559 residues in 497.7 ms
(Link to these results)