| 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 | 34.3 | Very low | 32.4 | Very low | 232 Ų | 232 | 159.4 Ų | 159.4 | 100% | 1.143 | 82% | 0.823 | S | S | * | * | 0 | 112.9 | 0 | -80.5 | 173.5 | 156.5 | 0 | 0 | 105.9 | |||||
| 2 | F | 29.3 | Very low | 32.3 | Very low | 198 Ų | 198 | 152.4 Ų | 152.4 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | cis | -143.4 | 136.4 | 38.5 | -101.9 | -101.8 | 0 | 0 | 0 | 110.5 | ||||
| 3 | C | 28.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -108.1 | 135.5 | 151.2 | -162.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 4 | C | 34 | Very low | 32.6 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | trans | 174.8 | 110.6 | 144.3 | -91.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | L | 33.8 | Very low | 33 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 71% | 0.707 | 81% | 0.814 | S | S | * | * | 89.3 | 107.2 | 108.2 | -66.6 | 169.5 | 0 | 0 | 0 | 110.8 | |||||
| 6 | G | 31.6 | Very low | 33.7 | Very low | 59 Ų | 59 | 145.2 Ų | 145.2 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | 88.4 | 134.3 | 83.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 7 | Y | 27.7 | Very low | 33.9 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | cis | -162.6 | 150.9 | 30.3 | -56.6 | -93.8 | 0 | 0 | 0 | 105 | ||||
| 8 | E | 30.7 | Very low | 34.2 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | -170.3 | 141.5 | 95 | -95.1 | -176.2 | 142.7 | 0 | 0 | 110.6 | |||||
| 9 | W | 38.3 | Very low | 34.8 | Very low | 235 Ų | 235 | 145.8 Ų | 145.8 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 144.3 | 170.9 | -83.5 | 66.3 | 0 | 0 | 0 | 110.8 | ||||
| 10 | L | 32.7 | Very low | 35.3 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 95% | 0.948 | 77% | 0.769 | S | S | * | * | trans | -152.5 | 127.7 | 132.8 | -106.5 | 165.9 | 0 | 0 | 0 | 110.8 | ||||
| 11 | S | 35.6 | Very low | 35.4 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -77.3 | 155.3 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | G | 30.8 | Very low | 36 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 74% | 0.736 | S | S | * | * | trans | 124.3 | 108.2 | 162 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | G | 32.2 | Very low | 36.8 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | cis | 152 | 144.3 | 15.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 14 | C | 37.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 79.7 | 105.8 | 168.7 | -152.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 15 | K | 38.6 | Very low | 38 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | 161.1 | 93.9 | 123.9 | -85.5 | 159.6 | -174.3 | 172.6 | 0 | 111.6 | |||||
| 16 | T | 43.8 | Very low | 38.3 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -154 | 25.9 | 146.2 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 17 | W | 37 | Very low | 38.8 | Very low | 231 Ų | 231 | 128.8 Ų | 128.8 | 88% | 0.875 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -85.4 | -20.1 | 169.8 | -75.2 | 92.6 | 0 | 0 | 0 | 113 | ||
| 18 | H | 39.8 | Very low | 39.5 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.4 | -28.7 | -177.6 | -99.1 | -79.2 | 0 | 0 | 0 | 114.4 | V22 | H18-V22 WeakPolarHBondContact O-CG2 3.42Å; H18-V22 PolarHBondContact O-N 3.36Å |
| 19 | S | 45.4 | Very low | 40.1 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 47% | 0.469 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -75.6 | -31.3 | -178.7 | 44.2 | 0 | 0 | 0 | 0 | 112.7 | I23 | S19-I23 WeakPolarHBondContact O-CD1 3.35Å; S19-I23 VanDerWaalsContact O-CG1 3.23Å; S19-I23 WeakPolarHBondContact O-CG1 3.26Å; S19-I23 PolarHBondContact O-N 3.06Å |
| 20 | A | 45.5 | Very low | 40.3 | Very low | 53 Ų | 53 | 118.6 Ų | 118.6 | 44% | 0.438 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N24 | A20-N24 PolarHBondContact O-N 3.32Å |
| 21 | W | 36.3 | Very low | 40.7 | Very low | 181 Ų | 181 | 118.3 Ų | 118.3 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.2 | -47.3 | 177.6 | -154.8 | 59.5 | 0 | 0 | 0 | 110.9 | I23 N24 T25 | W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 2.97Å; W21-N24 PolarHBondContact O-N 3.41Å; W21-N24 VanDerWaalsContact O-N 3.15Å; W21-T25 PolarHBondContact O-N 3.03Å; W21-T25 PolarHBondContact O-OG1 3.03Å |
| 22 | V | 46.5 | Very low | 41 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 53% | 0.527 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -62.7 | -35.4 | -179.7 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | H18 L26 | H18-V22 WeakPolarHBondContact O-CG2 3.42Å; H18-V22 PolarHBondContact O-N 3.36Å; V22-L26 VanDerWaalsContact O-CB 3.28Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 PolarHBondContact O-N 3.44Å |
| 23 | I | 47.4 | Very low | 41.6 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 60% | 0.595 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.2 | -38.6 | 176.9 | -65 | 167.9 | 0 | 0 | 0 | 110.9 | S19 W21 A27 | S19-I23 WeakPolarHBondContact O-CD1 3.35Å; S19-I23 VanDerWaalsContact O-CG1 3.23Å; S19-I23 WeakPolarHBondContact O-CG1 3.26Å; S19-I23 PolarHBondContact O-N 3.06Å; W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 2.97Å; I23-A27 WeakPolarHBondContact O-CB 3.26Å; I23-A27 PolarHBondContact O-N 3.26Å |
| 24 | N | 43.2 | Very low | 42.1 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72 | -36.4 | 175.1 | -81.1 | -24 | 0 | 0 | 0 | 112.4 | A20 W21 L26 A27 D28 | A20-N24 PolarHBondContact O-N 3.32Å; W21-N24 PolarHBondContact O-N 3.41Å; W21-N24 VanDerWaalsContact O-N 3.15Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.46Å; N24-A27 PolarHBondContact O-N 3.09Å; N24-D28 VanDerWaalsContact O-CB 3.29Å; N24-D28 WeakPolarHBondContact O-CB 3.22Å; N24-D28 PolarHBondContact O-N 3.44Å |
| 25 | T | 43.4 | Very low | 42.7 | Very low | 50 Ų | 50 | 126.3 Ų | 126.3 | 31% | 0.307 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.6 | -32.7 | 175 | -30 | 0 | 0 | 0 | 0 | 111.9 | W21 H29 | W21-T25 PolarHBondContact O-N 3.03Å; W21-T25 PolarHBondContact O-OG1 3.03Å; T25-H29 PolarHBondContact O-N 3.4Å; T25-H29 PolarHBondContact O-ND1 3.29Å |
| 26 | L | 39.8 | Very low | 42.9 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 60% | 0.602 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.6 | -35.3 | 175.8 | -166.3 | 71.4 | 0 | 0 | 0 | 112.3 | V22 N24 | V22-L26 VanDerWaalsContact O-CB 3.28Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 PolarHBondContact O-N 3.44Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.46Å |
| 27 | A | 43.1 | Very low | 43 | Very low | 59 Ų | 59 | 125 Ų | 125 | 49% | 0.488 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69.9 | -35.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I23 N24 H29 H30 | I23-A27 WeakPolarHBondContact O-CB 3.26Å; I23-A27 PolarHBondContact O-N 3.26Å; N24-A27 PolarHBondContact O-N 3.09Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 3.34Å; A27-H30 PolarHBondContact O-N 2.96Å |
| 28 | D | 42.4 | Very low | 43.2 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 65% | 0.647 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.3 | -24.7 | 179.6 | -154.4 | 55.6 | 0 | 0 | 0 | 112.6 | N24 | N24-D28 VanDerWaalsContact O-CB 3.29Å; N24-D28 WeakPolarHBondContact O-CB 3.22Å; N24-D28 PolarHBondContact O-N 3.44Å |
| 29 | H | 42.6 | Very low | 44 | Very low | 127 Ų | 127 | 112.2 Ų | 112.2 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -83.3 | -11.8 | 176 | -76.7 | 19.5 | 0 | 0 | 0 | 114.7 | T25 A27 H31 | T25-H29 PolarHBondContact O-N 3.4Å; T25-H29 PolarHBondContact O-ND1 3.29Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 3.34Å; H29-H31 VanDerWaalsContact C-N 3.31Å |
| 30 | H | 43.7 | Very low | 44.6 | Very low | 162 Ų | 162 | 113.5 Ų | 113.5 | 75% | 0.75 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -86 | -0.4 | 174.9 | -93.3 | -71.6 | 0 | 0 | 0 | 114.1 | A27 | A27-H30 PolarHBondContact O-N 2.96Š|
| 31 | H | 39.8 | Very low | 45.1 | Very low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.806 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -108.4 | 4.5 | 177.6 | -107.4 | -53 | 0 | 0 | 0 | 115.4 | H29 G33 | H29-H31 VanDerWaalsContact C-N 3.31Å; H31-G33 PolarHBondContact O-N 3.46Å |
| 32 | R | 42.4 | Very low | 46.3 | Very low | 222 Ų | 222 | 116.2 Ų | 116.2 | 84% | 0.838 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -80.7 | 109.2 | 170.2 | -107.9 | 177.7 | 162.3 | 173 | -4.6 | 109.7 | T34 | R32-T34 PolarHBondContact O-N 3.49Š|
| 33 | G | 43.3 | Very low | 47 | Very low | 51 Ų | 51 | 118.6 Ų | 118.6 | 53% | 0.526 | 63% | 0.629 | S | S | . | * | trans | -41.2 | 127 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H31 D35 | H31-G33 PolarHBondContact O-N 3.46Å; G33-D35 PolarHBondContact O-N 3.23Å | ||
| 34 | T | 43.8 | Very low | 47.8 | Very low | 141 Ų | 141 | 117 Ų | 117 | 87% | 0.865 | 62% | 0.624 | S | S | * | * | trans | -67 | 74.4 | 151.6 | 45.3 | 0 | 0 | 0 | 0 | 108.1 | R32 F36 | R32-T34 PolarHBondContact O-N 3.49Å; T34-F36 PolarHBondContact O-N 2.94Å | ||
| 35 | D | 48 | Very low | 48.7 | Very low | 131 Ų | 131 | 115.9 Ų | 115.9 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | trans | -82.4 | 33.7 | 174.2 | -70.3 | -42.8 | 0 | 0 | 0 | 111.8 | G33 G37 | G33-D35 PolarHBondContact O-N 3.23Å; D35-G37 VanDerWaalsContact C-N 3.25Å; D35-G37 PolarHBondContact O-N 2.89Å | ||
| 36 | F | 43 | Very low | 49.6 | Very low | 220 Ų | 220 | 119 Ų | 119 | 97% | 0.965 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 38.1 | 171.1 | -90.7 | -80.2 | 0 | 0 | 0 | 112.3 | T34 | T34-F36 PolarHBondContact O-N 2.94Š|
| 37 | G | 47.3 | Very low | 50.4 | Low | 52 Ų | 52 | 115.7 Ų | 115.7 | 54% | 0.536 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 176.2 | 40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D35 | D35-G37 VanDerWaalsContact C-N 3.25Å; D35-G37 PolarHBondContact O-N 2.89Å |
| 38 | G | 40.4 | Very low | 51.1 | Low | 31 Ų | 31 | 120.4 Ų | 120.4 | 32% | 0.32 | 63% | 0.63 | S | S | . | * | trans | -51.6 | 158.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P40 W41 | G38-P40 WeakPolarHBondContact O-CD 3.35Å; G38-W41 PolarHBondContact O-N 2.97Å | ||
| 39 | S | 57.8 | Low | 52 | Low | 82 Ų | 82 | 117.3 Ų | 117.3 | 57% | 0.573 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -29.4 | -35.9 | 177.5 | -70.2 | 0 | 0 | 0 | 0 | 118.1 | W41 L42 H43 | S39-W41 VanDerWaalsContact C-N 3.35Å; S39-W41 PolarHBondContact O-N 3.39Å; S39-L42 PolarHBondContact O-N 3.38Å; S39-H43 PolarHBondContact O-CD2 3.39Å; S39-H43 VanDerWaalsContact O-CD2 3.25Å; S39-H43 PolarHBondContact O-N 2.87Å |
| 40 | P | 57.3 | Low | 52.9 | Low | 94 Ų | 94 | 115.2 Ų | 115.2 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.3 | -40.9 | 178.8 | -28.9 | 37 | 0 | 0 | 0 | 114.8 | G38 H43 V44 | G38-P40 WeakPolarHBondContact O-CD 3.35Å; P40-H43 PolarHBondContact O-N 2.95Å; P40-V44 VanDerWaalsContact O-CG2 3.29Å; P40-V44 WeakPolarHBondContact O-CG2 3.45Å; P40-V44 PolarHBondContact O-N 3.43Å |
| 41 | W | 56.3 | Low | 54 | Low | 189 Ų | 189 | 110.8 Ų | 110.8 | 72% | 0.716 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.6 | -34.5 | -176.9 | -112.3 | 82 | 0 | 0 | 0 | 112.6 | G38 S39 V44 I45 | G38-W41 PolarHBondContact O-N 2.97Å; S39-W41 VanDerWaalsContact C-N 3.35Å; S39-W41 PolarHBondContact O-N 3.39Å; W41-V44 PolarHBondContact O-N 3.49Å; W41-I45 HydrophobicContact CE3-CD1 3.83Å; W41-I45 HydrophobicContact CE3-CG1 4.17Å; W41-I45 HydrophobicContact CZ3-CD1 4.33Å; W41-I45 VanDerWaalsContact O-CG1 3.24Å; W41-I45 WeakPolarHBondContact O-CG1 3.06Å; W41-I45 PolarHBondContact O-N 3.45Å |
| 42 | L | 61.7 | Low | 55.7 | Low | 102 Ų | 102 | 108.3 Ų | 108.3 | 53% | 0.534 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.4 | -38.1 | 172.6 | -73.2 | 170.9 | 0 | 0 | 0 | 111.6 | S39 V44 I45 I46 | S39-L42 PolarHBondContact O-N 3.38Å; L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 PolarHBondContact O-N 2.9Å; L42-I45 PolarHBondContact O-N 3.47Å; L42-I46 WeakPolarHBondContact O-CB 3.37Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 2.81Å |
| 43 | H | 61.3 | Low | 57.3 | Low | 136 Ų | 136 | 103.7 Ų | 103.7 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.4 | -41.4 | 170.1 | -88.7 | -85 | 0 | 0 | 0 | 111.4 | S39 P40 I46 A47 | S39-H43 PolarHBondContact O-CD2 3.39Å; S39-H43 VanDerWaalsContact O-CD2 3.25Å; S39-H43 PolarHBondContact O-N 2.87Å; P40-H43 PolarHBondContact O-N 2.95Å; H43-I46 PolarHBondContact O-N 2.79Å; H43-A47 WeakPolarHBondContact O-CA 3.3Å; H43-A47 WeakPolarHBondContact O-CB 3.45Å; H43-A47 PolarHBondContact O-N 3.45Å |
| 44 | V | 63.2 | Low | 58.9 | Low | 82 Ų | 82 | 105 Ų | 105 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.3 | -46.8 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 111 | P40 W41 L42 I46 A47 F48 | P40-V44 VanDerWaalsContact O-CG2 3.29Å; P40-V44 WeakPolarHBondContact O-CG2 3.45Å; P40-V44 PolarHBondContact O-N 3.43Å; W41-V44 PolarHBondContact O-N 3.49Å; L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 PolarHBondContact O-N 2.9Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 3.18Å; V44-A47 PolarHBondContact O-N 3.31Å; V44-F48 WeakPolarHBondContact O-CB 3.36Å; V44-F48 PolarHBondContact O-N 3.39Å |
| 45 | I | 62.7 | Low | 60.6 | Low | 92 Ų | 92 | 102.9 Ų | 102.9 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.8 | -29.8 | 179.3 | -68.3 | 163.7 | 0 | 0 | 0 | 112.5 | W41 L42 P49 | W41-I45 HydrophobicContact CE3-CD1 3.83Å; W41-I45 HydrophobicContact CE3-CG1 4.17Å; W41-I45 HydrophobicContact CZ3-CD1 4.33Å; W41-I45 VanDerWaalsContact O-CG1 3.24Å; W41-I45 WeakPolarHBondContact O-CG1 3.06Å; W41-I45 PolarHBondContact O-N 3.45Å; L42-I45 PolarHBondContact O-N 3.47Å; I45-P49 WeakPolarHBondContact O-CD 3.26Å; I45-P49 WeakPolarHBondContact O-CG 3.18Å |
| 46 | I | 61.8 | Low | 62.2 | Low | 115 Ų | 115 | 100.1 Ų | 100.1 | 59% | 0.59 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -90.6 | -36.9 | 179 | -64.4 | 167.3 | 0 | 0 | 0 | 111.9 | L42 H43 V44 P49 T50 | L42-I46 WeakPolarHBondContact O-CB 3.37Å; L42-I46 VanDerWaalsContact O-CG1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 2.81Å; H43-I46 PolarHBondContact O-N 2.79Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 3.18Å; I46-P49 WeakPolarHBondContact O-CD 3.3Å; I46-T50 PolarHBondContact O-OG1 2.99Å |
| 47 | A | 57.8 | Low | 64 | Low | 47 Ų | 47 | 93.5 Ų | 93.5 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.5 | -39.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H43 V44 T50 S51 | H43-A47 WeakPolarHBondContact O-CA 3.3Å; H43-A47 WeakPolarHBondContact O-CB 3.45Å; H43-A47 PolarHBondContact O-N 3.45Å; V44-A47 PolarHBondContact O-N 3.31Å; A47-T50 WeakPolarHBondContact O-CA 3.44Å; A47-T50 WeakPolarHBondContact O-CB 3.23Å; A47-T50 PolarHBondContact O-N 3.29Å; A47-S51 WeakPolarHBondContact O-CB 3.42Å; A47-S51 PolarHBondContact O-N 3.29Å; A47-S51 PolarHBondContact O-OG 3.05Å; A47-S51 VanDerWaalsContact O-OG 3.08Å |
| 48 | F | 57.8 | Low | 65.7 | Low | 157 Ų | 157 | 96.4 Ų | 96.4 | 69% | 0.689 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | -177 | -157.9 | -89.6 | 0 | 0 | 0 | 113.3 | V44 T50 S51 Y52 | V44-F48 WeakPolarHBondContact O-CB 3.36Å; V44-F48 PolarHBondContact O-N 3.39Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 3.2Å; F48-S51 PolarHBondContact O-N 3.46Å; F48-Y52 PolarHBondContact O-N 2.96Å |
| 49 | P | 61.3 | Low | 67.8 | Low | 56 Ų | 56 | 103 Ų | 103 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -24 | 172 | -23.2 | 34.3 | 0 | 0 | 0 | 114.4 | I45 I46 Y52 K53 | I45-P49 WeakPolarHBondContact O-CD 3.26Å; I45-P49 WeakPolarHBondContact O-CG 3.18Å; I46-P49 WeakPolarHBondContact O-CD 3.3Å; P49-Y52 HydrophobicContact CB-CD1 4.48Å; P49-Y52 WeakPolarHBondContact O-CD1 3.32Å; P49-Y52 WeakPolarHBondContact O-CE1 3.46Å; P49-K53 VanDerWaalsContact O-CG 3.29Å; P49-K53 WeakPolarHBondContact O-CG 3.34Å |
| 50 | T | 60.4 | Low | 69.3 | Low | 83 Ų | 83 | 103 Ų | 103 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -82 | -44.2 | 179.2 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | I46 A47 F48 K53 V54 | I46-T50 PolarHBondContact O-OG1 2.99Å; A47-T50 WeakPolarHBondContact O-CA 3.44Å; A47-T50 WeakPolarHBondContact O-CB 3.23Å; A47-T50 PolarHBondContact O-N 3.29Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 3.2Å; T50-K53 PolarHBondContact O-N 3.42Å; T50-V54 WeakPolarHBondContact O-CG2 3.49Å; T50-V54 PolarHBondContact O-N 3.46Å; T50-V54 VanDerWaalsContact O-N 3.15Å |
| 51 | S | 67.5 | Low | 70.8 | Confident | 69 Ų | 69 | 102.5 Ų | 102.5 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | A47 F48 K53 V54 V55 | A47-S51 WeakPolarHBondContact O-CB 3.42Å; A47-S51 PolarHBondContact O-N 3.29Å; A47-S51 PolarHBondContact O-OG 3.05Å; A47-S51 VanDerWaalsContact O-OG 3.08Å; F48-S51 PolarHBondContact O-N 3.46Å; S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 2.89Å; S51-V54 PolarHBondContact O-N 3.35Å; S51-V54 VanDerWaalsContact O-N 3.16Å; S51-V55 WeakPolarHBondContact O-CG2 3.32Å; S51-V55 PolarHBondContact O-N 3.05Å |
| 52 | Y | 75.1 | Confident | 72.2 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 48% | 0.478 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 178.6 | 109 | -82 | 0 | 0 | 0 | 112.1 | F48 P49 V54 V55 I56 | F48-Y52 PolarHBondContact O-N 2.96Å; P49-Y52 HydrophobicContact CB-CD1 4.48Å; P49-Y52 WeakPolarHBondContact O-CD1 3.32Å; P49-Y52 WeakPolarHBondContact O-CE1 3.46Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; Y52-V54 PolarHBondContact O-N 3.32Å; Y52-V55 PolarHBondContact O-N 2.9Å; Y52-I56 HydrophobicContact CD2-CD1 3.26Å; Y52-I56 HydrophobicContact CD2-CG1 4.04Å; Y52-I56 HydrophobicContact CE2-CD1 3.24Å; Y52-I56 HydrophobicContact CE2-CG1 4.4Å; Y52-I56 HydrophobicContact CG-CD1 4.49Å; Y52-I56 WeakPolarHBondContact O-CB 3.33Å; Y52-I56 VanDerWaalsContact O-CG1 3.3Å; Y52-I56 WeakPolarHBondContact O-CG1 3.36Å; Y52-I56 PolarHBondContact O-N 2.82Å |
| 53 | K | 76.8 | Confident | 73.4 | Confident | 125 Ų | 125 | 100.9 Ų | 100.9 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 175.7 | -77.1 | 178.8 | -179.3 | 176.1 | 0 | 111.7 | P49 T50 S51 T57 | P49-K53 VanDerWaalsContact O-CG 3.29Å; P49-K53 WeakPolarHBondContact O-CG 3.34Å; T50-K53 PolarHBondContact O-N 3.42Å; S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 2.89Å; K53-T57 VanDerWaalsContact O-CB 3.3Å; K53-T57 WeakPolarHBondContact O-CB 3.22Å; K53-T57 PolarHBondContact O-N 3.38Å; K53-T57 PolarHBondContact O-OG1 3.05Å |
| 54 | V | 75.7 | Confident | 74.6 | Confident | 80 Ų | 80 | 102.1 Ų | 102.1 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | T50 S51 Y52 I56 T57 L58 | T50-V54 WeakPolarHBondContact O-CG2 3.49Å; T50-V54 PolarHBondContact O-N 3.46Å; T50-V54 VanDerWaalsContact O-N 3.15Å; S51-V54 PolarHBondContact O-N 3.35Å; S51-V54 VanDerWaalsContact O-N 3.16Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; Y52-V54 PolarHBondContact O-N 3.32Å; V54-I56 PolarHBondContact O-N 2.91Å; V54-T57 PolarHBondContact O-N 3.41Å; V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.36Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 2.85Å |
| 55 | V | 79.3 | Confident | 75.5 | Confident | 95 Ų | 95 | 102.2 Ų | 102.2 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 178.6 | 174 | 0 | 0 | 0 | 0 | 111.5 | S51 Y52 T57 L58 W59 | S51-V55 WeakPolarHBondContact O-CG2 3.32Å; S51-V55 PolarHBondContact O-N 3.05Å; Y52-V55 PolarHBondContact O-N 2.9Å; V55-T57 VanDerWaalsContact C-N 3.34Å; V55-T57 PolarHBondContact O-N 2.82Å; V55-L58 PolarHBondContact O-N 3.35Å; V55-W59 WeakPolarHBondContact O-CB 3.31Å; V55-W59 PolarHBondContact O-N 3.32Å |
| 56 | I | 83.1 | Confident | 76.3 | Confident | 73 Ų | 73 | 100 Ų | 100 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176 | -72.6 | -178 | 0 | 0 | 0 | 111.1 | Y52 V54 W59 I60 | Y52-I56 HydrophobicContact CD2-CD1 3.26Å; Y52-I56 HydrophobicContact CD2-CG1 4.04Å; Y52-I56 HydrophobicContact CE2-CD1 3.24Å; Y52-I56 HydrophobicContact CE2-CG1 4.4Å; Y52-I56 HydrophobicContact CG-CD1 4.49Å; Y52-I56 WeakPolarHBondContact O-CB 3.33Å; Y52-I56 VanDerWaalsContact O-CG1 3.3Å; Y52-I56 WeakPolarHBondContact O-CG1 3.36Å; Y52-I56 PolarHBondContact O-N 2.82Å; V54-I56 PolarHBondContact O-N 2.91Å; I56-W59 PolarHBondContact O-N 2.93Å; I56-I60 HydrophobicContact CG2-CD1 3.66Å; I56-I60 HydrophobicContact CG2-CG1 4.32Å; I56-I60 WeakPolarHBondContact O-CB 3.44Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 2.78Å |
| 57 | T | 79.9 | Confident | 77.1 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 179.6 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | K53 V54 V55 I60 V61 | K53-T57 VanDerWaalsContact O-CB 3.3Å; K53-T57 WeakPolarHBondContact O-CB 3.22Å; K53-T57 PolarHBondContact O-N 3.38Å; K53-T57 PolarHBondContact O-OG1 3.05Å; V54-T57 PolarHBondContact O-N 3.41Å; V55-T57 VanDerWaalsContact C-N 3.34Å; V55-T57 PolarHBondContact O-N 2.82Å; T57-I60 PolarHBondContact O-N 3.47Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.44Å; T57-V61 PolarHBondContact O-N 3.44Å |
| 58 | L | 82.4 | Confident | 78.2 | Confident | 112 Ų | 112 | 101.1 Ų | 101.1 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | 175 | -72.7 | 171.5 | 0 | 0 | 0 | 111.6 | V54 V55 V61 Y62 | V54-L58 HydrophobicContact CG1-CD1 3.87Å; V54-L58 HydrophobicContact CG1-CG 4.36Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 2.85Å; V55-L58 PolarHBondContact O-N 3.35Å; L58-V61 PolarHBondContact O-N 2.9Å; L58-Y62 VanDerWaalsContact O-CB 3.26Å; L58-Y62 WeakPolarHBondContact O-CB 3.21Å; L58-Y62 PolarHBondContact O-N 3.41Å |
| 59 | W | 84.7 | Confident | 78.9 | Confident | 170 Ų | 170 | 100.9 Ų | 100.9 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 176.9 | -173.2 | 60.1 | 0 | 0 | 0 | 112.1 | V55 I56 Y62 L63 | V55-W59 WeakPolarHBondContact O-CB 3.31Å; V55-W59 PolarHBondContact O-N 3.32Å; I56-W59 PolarHBondContact O-N 2.93Å; W59-Y62 PolarHBondContact O-N 3.41Å; W59-L63 WeakPolarHBondContact O-CB 3.28Å; W59-L63 PolarHBondContact O-N 2.8Å |
| 60 | I | 88.6 | Confident | 79.4 | Confident | 83 Ų | 83 | 102.6 Ų | 102.6 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.6 | -69.6 | 167.2 | 0 | 0 | 0 | 110.9 | I56 T57 Y62 L63 W64 | I56-I60 HydrophobicContact CG2-CD1 3.66Å; I56-I60 HydrophobicContact CG2-CG1 4.32Å; I56-I60 WeakPolarHBondContact O-CB 3.44Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.29Å; I56-I60 PolarHBondContact O-N 2.78Å; T57-I60 PolarHBondContact O-N 3.47Å; I60-Y62 VanDerWaalsContact C-N 3.35Å; I60-L63 PolarHBondContact O-N 3.47Å; I60-W64 WeakPolarHBondContact O-CB 3.35Å; I60-W64 PolarHBondContact O-N 3.26Å |
| 61 | V | 89.1 | Confident | 79.9 | Confident | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | T57 L58 W64 V65 | T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.44Å; T57-V61 PolarHBondContact O-N 3.44Å; L58-V61 PolarHBondContact O-N 2.9Å; V61-W64 PolarHBondContact O-N 2.95Å; V61-V65 HydrophobicContact CG1-CG2 4.31Å; V61-V65 VanDerWaalsContact O-CG2 3.32Å; V61-V65 WeakPolarHBondContact O-CG2 3.24Å; V61-V65 PolarHBondContact O-N 3.3Å |
| 62 | Y | 86.4 | Confident | 79.7 | Confident | 162 Ų | 162 | 105.1 Ų | 105.1 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 177.1 | -178.5 | -100.4 | 0 | 0 | 0 | 112.3 | L58 W59 I60 W64 V65 S66 | L58-Y62 VanDerWaalsContact O-CB 3.26Å; L58-Y62 WeakPolarHBondContact O-CB 3.21Å; L58-Y62 PolarHBondContact O-N 3.41Å; W59-Y62 PolarHBondContact O-N 3.41Å; I60-Y62 VanDerWaalsContact C-N 3.35Å; Y62-W64 VanDerWaalsContact C-N 3.33Å; Y62-W64 PolarHBondContact O-N 2.86Å; Y62-V65 PolarHBondContact O-N 2.87Å; Y62-S66 VanDerWaalsContact O-CB 3.3Å; Y62-S66 WeakPolarHBondContact O-CB 3.49Å; Y62-S66 PolarHBondContact O-N 3.38Å; Y62-S66 PolarHBondContact O-OG 3.37Å |
| 63 | L | 87.1 | Confident | 78.6 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.5 | -163 | 96.3 | 0 | 0 | 0 | 111 | W59 I60 S66 L67 | W59-L63 WeakPolarHBondContact O-CB 3.28Å; W59-L63 PolarHBondContact O-N 2.8Å; I60-L63 PolarHBondContact O-N 3.47Å; L63-S66 PolarHBondContact O-N 2.84Å; L63-L67 WeakPolarHBondContact O-CB 3.5Å; L63-L67 PolarHBondContact O-N 2.94Å |
| 64 | W | 85.3 | Confident | 77.6 | Confident | 162 Ų | 162 | 107.2 Ų | 107.2 | 61% | 0.614 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -46 | 176.9 | -97.5 | 87.9 | 0 | 0 | 0 | 112.7 | I60 V61 Y62 S66 L67 L68 | I60-W64 WeakPolarHBondContact O-CB 3.35Å; I60-W64 PolarHBondContact O-N 3.26Å; V61-W64 PolarHBondContact O-N 2.95Å; Y62-W64 VanDerWaalsContact C-N 3.33Å; Y62-W64 PolarHBondContact O-N 2.86Å; W64-S66 VanDerWaalsContact C-N 3.3Å; W64-S66 PolarHBondContact O-N 3.37Å; W64-L67 PolarHBondContact O-N 3.28Å; W64-L68 HydrophobicContact CE3-CD1 3.85Å; W64-L68 HydrophobicContact CZ3-CD1 4.5Å; W64-L68 VanDerWaalsContact O-CB 3.32Å; W64-L68 WeakPolarHBondContact O-CB 3.3Å; W64-L68 WeakPolarHBondContact O-CD1 3.38Å; W64-L68 PolarHBondContact O-N 2.85Å |
| 65 | V | 82.8 | Confident | 76.3 | Confident | 84 Ų | 84 | 109.5 Ų | 109.5 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | V61 Y62 L68 K69 | V61-V65 HydrophobicContact CG1-CG2 4.31Å; V61-V65 VanDerWaalsContact O-CG2 3.32Å; V61-V65 WeakPolarHBondContact O-CG2 3.24Å; V61-V65 PolarHBondContact O-N 3.3Å; Y62-V65 PolarHBondContact O-N 2.87Å; V65-L68 PolarHBondContact O-N 3.4Å; V65-K69 VanDerWaalsContact O-CB 3.23Å; V65-K69 WeakPolarHBondContact O-CB 3.33Å; V65-K69 PolarHBondContact O-N 2.85Å |
| 66 | S | 79.5 | Confident | 74.9 | Confident | 45 Ų | 45 | 109.9 Ų | 109.9 | 32% | 0.315 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | Y62 L63 W64 K69 T70 | Y62-S66 VanDerWaalsContact O-CB 3.3Å; Y62-S66 WeakPolarHBondContact O-CB 3.49Å; Y62-S66 PolarHBondContact O-N 3.38Å; Y62-S66 PolarHBondContact O-OG 3.37Å; L63-S66 PolarHBondContact O-N 2.84Å; W64-S66 VanDerWaalsContact C-N 3.3Å; W64-S66 PolarHBondContact O-N 3.37Å; S66-K69 PolarHBondContact O-N 2.94Å; S66-T70 WeakPolarHBondContact O-CG2 3.42Å; S66-T70 PolarHBondContact O-N 2.89Å; S66-T70 PolarHBondContact O-OG1 3.36Å |
| 67 | L | 79 | Confident | 73.4 | Confident | 90 Ų | 90 | 109.5 Ų | 109.5 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 176.3 | -169.8 | 121.2 | 0 | 0 | 0 | 112.5 | L63 W64 K69 T70 I71 | L63-L67 WeakPolarHBondContact O-CB 3.5Å; L63-L67 PolarHBondContact O-N 2.94Å; W64-L67 PolarHBondContact O-N 3.28Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-T70 WeakPolarHBondContact CA-OG1 3.36Å; L67-T70 PolarHBondContact O-N 2.97Å; L67-T70 PolarHBondContact O-OG1 3.42Å; L67-I71 HydrophobicContact CD2-CD1 3.66Å; L67-I71 HydrophobicContact CG-CD1 4.11Å; L67-I71 WeakPolarHBondContact O-CB 3.4Å; L67-I71 WeakPolarHBondContact O-CD1 3.33Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 2.94Å |
| 68 | L | 80.4 | Confident | 72 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 172.8 | -94 | 142.9 | 0 | 0 | 0 | 111 | W64 V65 I71 F72 | W64-L68 HydrophobicContact CE3-CD1 3.85Å; W64-L68 HydrophobicContact CZ3-CD1 4.5Å; W64-L68 VanDerWaalsContact O-CB 3.32Å; W64-L68 WeakPolarHBondContact O-CB 3.3Å; W64-L68 WeakPolarHBondContact O-CD1 3.38Å; W64-L68 PolarHBondContact O-N 2.85Å; V65-L68 PolarHBondContact O-N 3.4Å; L68-I71 PolarHBondContact O-N 2.94Å; L68-F72 WeakPolarHBondContact O-CB 3.22Å; L68-F72 PolarHBondContact O-N 2.96Å |
| 69 | K | 73.3 | Confident | 70.5 | Confident | 153 Ų | 153 | 112 Ų | 112 | 67% | 0.665 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.6 | -43.6 | 178.4 | -169.5 | 174.8 | 171.9 | 109.4 | 0 | 110.9 | V65 S66 L67 F72 W73 | V65-K69 VanDerWaalsContact O-CB 3.23Å; V65-K69 WeakPolarHBondContact O-CB 3.33Å; V65-K69 PolarHBondContact O-N 2.85Å; S66-K69 PolarHBondContact O-N 2.94Å; L67-K69 VanDerWaalsContact C-N 3.33Å; K69-F72 PolarHBondContact O-N 3.04Å; K69-W73 VanDerWaalsContact O-CB 3.3Å; K69-W73 WeakPolarHBondContact O-CB 3.29Å; K69-W73 PolarHBondContact O-N 3.26Å |
| 70 | T | 70.1 | Confident | 69 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 176.5 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | S66 L67 S74 | S66-T70 WeakPolarHBondContact O-CG2 3.42Å; S66-T70 PolarHBondContact O-N 2.89Å; S66-T70 PolarHBondContact O-OG1 3.36Å; L67-T70 WeakPolarHBondContact CA-OG1 3.36Å; L67-T70 PolarHBondContact O-N 2.97Å; L67-T70 PolarHBondContact O-OG1 3.42Å; T70-S74 PolarHBondContact O-N 3.04Å |
| 71 | I | 71.5 | Confident | 67.3 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 46% | 0.462 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.7 | -38.1 | 176.1 | -66.6 | 167.6 | 0 | 0 | 0 | 111.6 | L67 L68 S74 R75 | L67-I71 HydrophobicContact CD2-CD1 3.66Å; L67-I71 HydrophobicContact CG-CD1 4.11Å; L67-I71 WeakPolarHBondContact O-CB 3.4Å; L67-I71 WeakPolarHBondContact O-CD1 3.33Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 2.94Å; L68-I71 PolarHBondContact O-N 2.94Å; I71-S74 PolarHBondContact O-OG 3.34Å; I71-S74 VanDerWaalsContact O-OG 3.05Å; I71-R75 PolarHBondContact O-N 3.16Å |
| 72 | F | 62.9 | Low | 65.7 | Low | 115 Ų | 115 | 105.7 Ų | 105.7 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -76.5 | -33.8 | -179.4 | -136.5 | -93 | 0 | 0 | 0 | 112.2 | L68 K69 R75 N76 | L68-F72 WeakPolarHBondContact O-CB 3.22Å; L68-F72 PolarHBondContact O-N 2.96Å; K69-F72 PolarHBondContact O-N 3.04Å; F72-R75 PolarHBondContact O-N 2.92Å; F72-N76 PolarHBondContact O-N 3.23Å |
| 73 | W | 53.2 | Low | 64.4 | Low | 210 Ų | 210 | 101.8 Ų | 101.8 | 80% | 0.795 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.5 | -37.1 | 175.7 | -136.2 | 39 | 0 | 0 | 0 | 112 | K69 R75 N76 G77 | K69-W73 VanDerWaalsContact O-CB 3.3Å; K69-W73 WeakPolarHBondContact O-CB 3.29Å; K69-W73 PolarHBondContact O-N 3.26Å; W73-R75 PolarHBondContact O-N 3.46Å; W73-N76 PolarHBondContact O-N 2.95Å; W73-G77 PolarHBondContact O-N 2.87Å |
| 74 | S | 54.6 | Low | 63 | Low | 81 Ų | 81 | 101.9 Ų | 101.9 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66 | -22.9 | 173 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | T70 I71 | T70-S74 PolarHBondContact O-N 3.04Å; I71-S74 PolarHBondContact O-OG 3.34Å; I71-S74 VanDerWaalsContact O-OG 3.05Å |
| 75 | R | 50 | Low | 61.6 | Low | 127 Ų | 127 | 101 Ų | 101 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -86.4 | -40.1 | 176.6 | -162.4 | 133.4 | 83.7 | -175.9 | 6.8 | 113.2 | I71 F72 W73 G77 | I71-R75 PolarHBondContact O-N 3.16Å; F72-R75 PolarHBondContact O-N 2.92Å; W73-R75 PolarHBondContact O-N 3.46Å; R75-G77 VanDerWaalsContact C-N 3.34Å; R75-G77 PolarHBondContact O-N 3.49Å |
| 76 | N | 49.7 | Very low | 60.4 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -77.5 | -15.8 | -176.8 | -73.4 | 1.2 | 0 | 0 | 0 | 114.2 | F72 W73 | F72-N76 PolarHBondContact O-N 3.23Å; W73-N76 PolarHBondContact O-N 2.95Å |
| 77 | G | 50.8 | Low | 59.6 | Low | 65 Ų | 65 | 108.4 Ų | 108.4 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -7.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | W73 R75 | W73-G77 PolarHBondContact O-N 2.87Å; R75-G77 VanDerWaalsContact C-N 3.34Å; R75-G77 PolarHBondContact O-N 3.49Å |
| 78 | H | 50.8 | Low | 58.6 | Low | 124 Ų | 124 | 106.8 Ų | 106.8 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -105.4 | -3.3 | -169.8 | -94.7 | -37 | 0 | 0 | 0 | 116.3 | T82 | H78-T82 PolarHBondContact O-OG1 3.39Š|
| 79 | D | 50.7 | Low | 57.5 | Low | 122 Ų | 122 | 109.7 Ų | 109.7 | 65% | 0.652 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -9.9 | -170.5 | -73.7 | -17.3 | 0 | 0 | 0 | 114.7 | ||
| 80 | G | 53.3 | Low | 56.8 | Low | 55 Ų | 55 | 110 Ų | 110 | 57% | 0.567 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 81 | S | 52.8 | Low | 56.2 | Low | 74 Ų | 74 | 109.5 Ų | 109.5 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -82.9 | -26.7 | -172.5 | 178 | 0 | 0 | 0 | 0 | 113.4 | Q85 | S81-Q85 WeakPolarHBondContact O-CG 3.36Å; S81-Q85 PolarHBondContact O-N 3.36Å |
| 82 | T | 55.7 | Low | 55.6 | Low | 74 Ų | 74 | 110.2 Ų | 110.2 | 45% | 0.454 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.2 | -36 | -178 | 46 | 0 | 0 | 0 | 0 | 111.8 | H78 Q86 | H78-T82 PolarHBondContact O-OG1 3.39Å; T82-Q86 WeakPolarHBondContact O-CB 3.05Å; T82-Q86 PolarHBondContact O-N 2.85Å |
| 83 | D | 59 | Low | 55.3 | Low | 79 Ų | 79 | 111 Ų | 111 | 42% | 0.422 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.6 | -41.8 | 176.4 | -168.7 | 64.2 | 0 | 0 | 0 | 112 | Q86 R87 | D83-Q86 PolarHBondContact O-N 3.15Å; D83-R87 WeakPolarHBondContact O-CB 3.49Å; D83-R87 PolarHBondContact O-N 2.65Å; D83-R87 IonicContact OD2-CZ 3.49Å; D83-R87 IonicContact OD2-NE 2.79Å; D83-R87 IonicContact OD2-NH2 3.47Å; D83-R87 PolarHBondContact OD2-NH2 3.48Å |
| 84 | V | 57.9 | Low | 55.5 | Low | 99 Ų | 99 | 110.7 Ų | 110.7 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.4 | -45 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | R87 A88 | V84-R87 PolarHBondContact O-N 3.49Å; V84-A88 WeakPolarHBondContact O-CB 3Å; V84-A88 PolarHBondContact O-N 2.9Å |
| 85 | Q | 55.1 | Low | 55.5 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 67% | 0.673 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.9 | -36.4 | 176.3 | -71.4 | -145.6 | -26.4 | 0 | 0 | 112.5 | S81 A88 W89 | S81-Q85 WeakPolarHBondContact O-CG 3.36Å; S81-Q85 PolarHBondContact O-N 3.36Å; Q85-A88 PolarHBondContact O-N 3.45Å; Q85-W89 WeakPolarHBondContact O-CB 3.11Å; Q85-W89 PolarHBondContact O-N 3.08Å |
| 86 | Q | 57.9 | Low | 55.5 | Low | 111 Ų | 111 | 115 Ų | 115 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.3 | -32.2 | 177.1 | -166.9 | 143.3 | -45.4 | 0 | 0 | 112.2 | T82 D83 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.05Å; T82-Q86 PolarHBondContact O-N 2.85Å; D83-Q86 PolarHBondContact O-N 3.15Å; Q86-R90 WeakPolarHBondContact O-CB 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.47Å; Q86-R90 PolarHBondContact O-N 2.91Å |
| 87 | R | 62.4 | Low | 55.6 | Low | 172 Ų | 172 | 115.3 Ų | 115.3 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71 | -42.8 | 173.3 | -165.3 | 177.1 | -64.6 | -168.8 | 1.6 | 111.7 | D83 V84 R90 S91 | D83-R87 WeakPolarHBondContact O-CB 3.49Å; D83-R87 PolarHBondContact O-N 2.65Å; D83-R87 IonicContact OD2-CZ 3.49Å; D83-R87 IonicContact OD2-NE 2.79Å; D83-R87 IonicContact OD2-NH2 3.47Å; D83-R87 PolarHBondContact OD2-NH2 3.48Å; V84-R87 PolarHBondContact O-N 3.49Å; R87-R90 PolarHBondContact O-N 3.33Å; R87-S91 PolarHBondContact O-N 2.98Å; R87-S91 VanDerWaalsContact O-N 3.09Å |
| 88 | A | 58.8 | Low | 55.8 | Low | 57 Ų | 57 | 115.2 Ų | 115.2 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -40.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | V84 Q85 S91 N92 | V84-A88 WeakPolarHBondContact O-CB 3Å; V84-A88 PolarHBondContact O-N 2.9Å; Q85-A88 PolarHBondContact O-N 3.45Å; A88-S91 PolarHBondContact O-N 2.87Å; A88-N92 PolarHBondContact O-N 3.49Å |
| 89 | W | 57.5 | Low | 55.6 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 59% | 0.587 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -40.3 | 177.1 | -169.5 | 82.7 | 0 | 0 | 0 | 112.8 | Q85 S91 N92 R93 | Q85-W89 WeakPolarHBondContact O-CB 3.11Å; Q85-W89 PolarHBondContact O-N 3.08Å; W89-S91 VanDerWaalsContact C-N 3.31Å; W89-S91 PolarHBondContact O-N 2.84Å; W89-N92 PolarHBondContact O-N 2.91Å; W89-R93 WeakPolarHBondContact O-CB 3.46Å; W89-R93 PolarHBondContact O-N 2.97Å |
| 90 | R | 57.5 | Low | 55.5 | Low | 160 Ų | 160 | 118.8 Ų | 118.8 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64 | -34.7 | 173.7 | -80.7 | -177 | -179.8 | 159.1 | -0 | 112.6 | Q86 R87 R94 | Q86-R90 WeakPolarHBondContact O-CB 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.47Å; Q86-R90 PolarHBondContact O-N 2.91Å; R87-R90 PolarHBondContact O-N 3.33Å; R90-R94 PolarHBondContact O-N 3.34Å |
| 91 | S | 58 | Low | 55.2 | Low | 81 Ų | 81 | 121.2 Ų | 121.2 | 57% | 0.566 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69 | -45.8 | 175.9 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | R87 A88 W89 R93 R94 R95 | R87-S91 PolarHBondContact O-N 2.98Å; R87-S91 VanDerWaalsContact O-N 3.09Å; A88-S91 PolarHBondContact O-N 2.87Å; W89-S91 VanDerWaalsContact C-N 3.31Å; W89-S91 PolarHBondContact O-N 2.84Å; S91-R93 VanDerWaalsContact C-N 3.32Å; S91-R93 PolarHBondContact O-N 2.92Å; S91-R94 PolarHBondContact O-N 3.39Å; S91-R95 PolarHBondContact O-N 2.97Å |
| 92 | N | 58.9 | Low | 55 | Low | 105 Ų | 105 | 124.9 Ų | 124.9 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -29.6 | 177.3 | -102.5 | -27.1 | 0 | 0 | 0 | 113.3 | A88 W89 R95 Q96 | A88-N92 PolarHBondContact O-N 3.49Å; W89-N92 PolarHBondContact O-N 2.91Å; N92-R95 PolarHBondContact O-N 3Å; N92-Q96 PolarHBondContact O-N 3.49Å |
| 93 | R | 56.3 | Low | 54.4 | Low | 132 Ų | 132 | 126.3 Ų | 126.3 | 50% | 0.498 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.1 | -42 | 177 | -169.5 | 167.6 | -175 | 166.2 | 4.4 | 112.6 | W89 S91 R95 Q96 E97 | W89-R93 WeakPolarHBondContact O-CB 3.46Å; W89-R93 PolarHBondContact O-N 2.97Å; S91-R93 VanDerWaalsContact C-N 3.32Å; S91-R93 PolarHBondContact O-N 2.92Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R93-R95 PolarHBondContact O-N 3.35Å; R93-Q96 PolarHBondContact O-N 2.82Å; R93-E97 WeakPolarHBondContact CG-OE1 3.37Å; R93-E97 IonicContact NE-OE1 3.87Å; R93-E97 PolarHBondContact NE-OE1 3.25Å; R93-E97 WeakPolarHBondContact O-CG 3.26Å; R93-E97 PolarHBondContact O-N 2.93Å |
| 94 | R | 58.2 | Low | 53.9 | Low | 204 Ų | 204 | 131.2 Ų | 131.2 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.8 | -35.5 | 174.5 | -70.2 | -168.8 | -169.8 | -173.2 | 3.3 | 112.6 | R90 S91 | R90-R94 PolarHBondContact O-N 3.34Å; S91-R94 PolarHBondContact O-N 3.39Å |
| 95 | R | 53.9 | Low | 52.9 | Low | 201 Ų | 201 | 134.5 Ų | 134.5 | 76% | 0.758 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.2 | -35 | 173.9 | -106.1 | -171.2 | -177.1 | -175.1 | 1.5 | 113.2 | S91 N92 R93 | S91-R95 PolarHBondContact O-N 2.97Å; N92-R95 PolarHBondContact O-N 3Å; R93-R95 VanDerWaalsContact C-N 3.33Å; R93-R95 PolarHBondContact O-N 3.35Å |
| 96 | Q | 49.8 | Very low | 52.7 | Low | 96 Ų | 96 | 134 Ų | 134 | 45% | 0.449 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -80.2 | -24.2 | 176.3 | -76.1 | -146.3 | -4.1 | 0 | 0 | 113.9 | N92 R93 G98 L99 R100 | N92-Q96 PolarHBondContact O-N 3.49Å; R93-Q96 PolarHBondContact O-N 2.82Å; Q96-G98 PolarHBondContact O-N 3.29Å; Q96-L99 PolarHBondContact O-N 3Å; Q96-R100 VanDerWaalsContact O-CB 3.26Å; Q96-R100 WeakPolarHBondContact O-CB 3.4Å; Q96-R100 VanDerWaalsContact O-CG 3.26Å; Q96-R100 WeakPolarHBondContact O-CG 3.37Å; Q96-R100 PolarHBondContact O-N 3.42Å |
| 97 | E | 52.3 | Low | 51.7 | Low | 111 Ų | 111 | 138.2 Ų | 138.2 | 52% | 0.519 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -64.9 | -25.8 | 175.1 | -79.7 | 163.8 | -177.4 | 0 | 0 | 112.5 | R93 | R93-E97 WeakPolarHBondContact CG-OE1 3.37Å; R93-E97 IonicContact NE-OE1 3.87Å; R93-E97 PolarHBondContact NE-OE1 3.25Å; R93-E97 WeakPolarHBondContact O-CG 3.26Å; R93-E97 PolarHBondContact O-N 2.93Å |
| 98 | G | 54.7 | Low | 50.9 | Low | 64 Ų | 64 | 140.1 Ų | 140.1 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -17.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q96 | Q96-G98 PolarHBondContact O-N 3.29Š|
| 99 | L | 47.5 | Very low | 50.1 | Low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -10 | -179.4 | -80.9 | 165.4 | 0 | 0 | 0 | 113.6 | Q96 | Q96-L99 PolarHBondContact O-N 3Š|
| 100 | R | 47.3 | Very low | 49.2 | Very low | 175 Ų | 175 | 148 Ų | 148 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 9.1 | -172.5 | -82.9 | -178 | 179.1 | -147.6 | 1 | 115.3 | Q96 I102 | Q96-R100 VanDerWaalsContact O-CB 3.26Å; Q96-R100 WeakPolarHBondContact O-CB 3.4Å; Q96-R100 VanDerWaalsContact O-CG 3.26Å; Q96-R100 WeakPolarHBondContact O-CG 3.37Å; Q96-R100 PolarHBondContact O-N 3.42Å; R100-I102 PolarHBondContact O-N 3Å |
| 101 | S | 47 | Very low | 48.5 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -8 | 172.4 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 102 | I | 48.4 | Very low | 47.9 | Very low | 150 Ų | 150 | 147 Ų | 147 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -122.3 | 90.9 | 176.2 | -50 | 172.8 | 0 | 0 | 0 | 108.6 | R100 | R100-I102 PolarHBondContact O-N 3Š|
| 103 | C | 44.3 | Very low | 47.2 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | 148 | 89.3 | 153 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 104 | M | 47.5 | Very low | 46.5 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 89% | 0.892 | 77% | 0.768 | S | S | * | * | trans | -80.1 | 117.5 | 153.7 | -77.6 | -144.1 | 84.2 | 0 | 0 | 107.9 | ||||
| 105 | H | 37 | Very low | 45.8 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | -141.4 | 133.5 | 150.5 | -99 | -73.6 | 0 | 0 | 0 | 111.5 | K107 | H105-K107 PolarHBondContact O-N 2.92Š| ||
| 106 | T | 50.6 | Low | 46 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -48.6 | 117.1 | -177.9 | 40.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 107 | K | 37 | Very low | 46.4 | Very low | 199 Ų | 199 | 151.5 Ų | 151.5 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -128.7 | 101.1 | 156.1 | -92.1 | -176.5 | 177 | 176 | 0 | 110 | H105 R109 | H105-K107 PolarHBondContact O-N 2.92Å; K107-R109 PolarHBondContact O-N 3.42Å | ||
| 108 | K | 46.5 | Very low | 46.9 | Very low | 212 Ų | 212 | 151.8 Ų | 151.8 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -49.9 | 116 | 163.3 | -82.4 | -179.7 | 174.3 | 176.5 | 0 | 108.2 | ||||
| 109 | R | 41.6 | Very low | 47.5 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | trans | -88 | 113.4 | 166.6 | -73.8 | -169.7 | 179 | -163.7 | -1.2 | 108.3 | K107 S111 | K107-R109 PolarHBondContact O-N 3.42Å; R109-S111 PolarHBondContact O-N 3.4Å | ||
| 110 | V | 38.7 | Very low | 48.6 | Very low | 134 Ų | 134 | 148 Ų | 148 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -53.2 | 131.2 | 165.1 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | S112 | V110-S112 PolarHBondContact O-N 2.93Š| ||
| 111 | S | 42 | Very low | 49.7 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -50.4 | 115.4 | -177 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | R109 F113 | R109-S111 PolarHBondContact O-N 3.4Å; S111-F113 PolarHBondContact O-N 3.26Å | ||
| 112 | S | 47 | Very low | 51.1 | Low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -61.5 | 128.3 | 168 | 53.2 | 0 | 0 | 0 | 0 | 109.8 | V110 R114 | V110-S112 PolarHBondContact O-N 2.93Å; S112-R114 PolarHBondContact O-N 2.94Å | ||
| 113 | F | 42.6 | Very low | 52.4 | Low | 206 Ų | 206 | 143.5 Ų | 143.5 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | trans | -36.8 | 127.6 | 172.2 | -92 | -105.6 | 0 | 0 | 0 | 112.7 | S111 G115 | S111-F113 PolarHBondContact O-N 3.26Å; F113-G115 VanDerWaalsContact C-N 3.26Å; F113-G115 PolarHBondContact O-N 3.18Å | ||
| 114 | R | 42.2 | Very low | 54 | Low | 235 Ų | 235 | 142 Ų | 142 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | trans | -70 | 81.7 | 174.7 | -167.6 | 179.7 | -162.6 | -122 | 6.9 | 109 | S112 N116 | S112-R114 PolarHBondContact O-N 2.94Å; R114-N116 PolarHBondContact O-N 3.43Å | ||
| 115 | G | 44.2 | Very low | 55.8 | Low | 57 Ų | 57 | 137.4 Ų | 137.4 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | trans | -60.3 | 121.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | F113 K117 | F113-G115 VanDerWaalsContact C-N 3.26Å; F113-G115 PolarHBondContact O-N 3.18Å; G115-K117 VanDerWaalsContact C-N 3.28Å; G115-K117 PolarHBondContact O-N 3.27Å | ||
| 116 | N | 57.8 | Low | 57.8 | Low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -62.6 | 90 | 170.3 | -93.1 | -0.8 | 0 | 0 | 0 | 109 | R114 I118 | R114-N116 PolarHBondContact O-N 3.43Å; N116-I118 PolarHBondContact O-N 3.01Å | ||
| 117 | K | 59.1 | Low | 59.5 | Low | 200 Ų | 200 | 136.3 Ų | 136.3 | 87% | 0.87 | 68% | 0.678 | S | S | * | * | trans | -74.9 | 79 | 166.6 | -66 | -179.1 | -177.8 | -179.1 | 0 | 107.4 | G115 G119 | G115-K117 VanDerWaalsContact C-N 3.28Å; G115-K117 PolarHBondContact O-N 3.27Å; K117-G119 PolarHBondContact O-N 3.2Å | ||
| 118 | I | 60.8 | Low | 61.8 | Low | 116 Ų | 116 | 135 Ų | 135 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | trans | -65.5 | 104.2 | 167.7 | -64.4 | 169.3 | 0 | 0 | 0 | 105.4 | N116 D122 V123 | N116-I118 PolarHBondContact O-N 3.01Å; I118-D122 HydrophobicContact CG2-CB 3.99Å; I118-V123 HydrophobicContact CG2-CG2 3.7Å | ||
| 119 | G | 68.3 | Low | 63.7 | Low | 29 Ų | 29 | 129.2 Ų | 129.2 | 30% | 0.299 | 64% | 0.644 | S | S | . | * | trans | -65.8 | 150.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | K117 K121 D122 V123 | K117-G119 PolarHBondContact O-N 3.2Å; G119-K121 PolarHBondContact O-N 2.86Å; G119-D122 PolarHBondContact N-OD2 3.32Å; G119-D122 WeakPolarHBondContact O-CB 3.06Å; G119-D122 PolarHBondContact O-N 3.32Å; G119-V123 PolarHBondContact O-N 3.31Å | ||
| 120 | L | 70.3 | Confident | 65.9 | Low | 100 Ų | 100 | 121.1 Ų | 121.1 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -51.1 | -32 | 169.9 | 178.9 | 62 | 0 | 0 | 0 | 111.4 | V123 I124 | L120-V123 PolarHBondContact O-N 3.18Å; L120-I124 HydrophobicContact CD1-CD1 4.18Å; L120-I124 HydrophobicContact CD1-CG1 4.43Å; L120-I124 HydrophobicContact CG-CD1 3.85Å; L120-I124 WeakPolarHBondContact O-CD1 2.84Å; L120-I124 WeakPolarHBondContact O-CG1 3.24Å; L120-I124 PolarHBondContact O-N 2.91Å |
| 121 | K | 71.9 | Confident | 68 | Low | 172 Ų | 172 | 118 Ų | 118 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.1 | -41.6 | 173.7 | -67.1 | -178.4 | 178.4 | 179.8 | 0 | 112.6 | G119 I124 T125 | G119-K121 PolarHBondContact O-N 2.86Å; K121-I124 PolarHBondContact O-N 3.35Å; K121-T125 PolarHBondContact O-N 3.46Å; K121-T125 PolarHBondContact O-OG1 3.3Å |
| 122 | D | 74.8 | Confident | 70.3 | Confident | 87 Ų | 87 | 117 Ų | 117 | 47% | 0.465 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.4 | -35.8 | -179.4 | -57.2 | -35.6 | 0 | 0 | 0 | 111.9 | I118 G119 T125 L126 | I118-D122 HydrophobicContact CG2-CB 3.99Å; G119-D122 PolarHBondContact N-OD2 3.32Å; G119-D122 WeakPolarHBondContact O-CB 3.06Å; G119-D122 PolarHBondContact O-N 3.32Å; D122-T125 VanDerWaalsContact CA-OG1 3.28Å; D122-T125 WeakPolarHBondContact CA-OG1 3.44Å; D122-T125 PolarHBondContact O-OG1 3.36Å; D122-L126 WeakPolarHBondContact O-CB 3.27Å; D122-L126 PolarHBondContact O-N 3.49Å |
| 123 | V | 76.2 | Confident | 72.2 | Confident | 79 Ų | 79 | 117.4 Ų | 117.4 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.2 | -41.2 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | I118 G119 L120 L126 R127 | I118-V123 HydrophobicContact CG2-CG2 3.7Å; G119-V123 PolarHBondContact O-N 3.31Å; L120-V123 PolarHBondContact O-N 3.18Å; V123-L126 PolarHBondContact O-N 2.77Å; V123-R127 WeakPolarHBondContact O-CB 3.41Å; V123-R127 PolarHBondContact O-N 2.93Å |
| 124 | I | 79.1 | Confident | 74.5 | Confident | 74 Ų | 74 | 111 Ų | 111 | 38% | 0.379 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.5 | -42.2 | 178.8 | -67.8 | 166.1 | 0 | 0 | 0 | 111 | L120 K121 R127 R128 | L120-I124 HydrophobicContact CD1-CD1 4.18Å; L120-I124 HydrophobicContact CD1-CG1 4.43Å; L120-I124 HydrophobicContact CG-CD1 3.85Å; L120-I124 WeakPolarHBondContact O-CD1 2.84Å; L120-I124 WeakPolarHBondContact O-CG1 3.24Å; L120-I124 PolarHBondContact O-N 2.91Å; K121-I124 PolarHBondContact O-N 3.35Å; I124-R127 PolarHBondContact O-N 2.91Å; I124-R128 WeakPolarHBondContact O-CG 3.41Å; I124-R128 PolarHBondContact O-N 3.17Å |
| 125 | T | 84.4 | Confident | 76.5 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 52% | 0.515 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 176.2 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | K121 D122 R127 R128 H129 | K121-T125 PolarHBondContact O-N 3.46Å; K121-T125 PolarHBondContact O-OG1 3.3Å; D122-T125 VanDerWaalsContact CA-OG1 3.28Å; D122-T125 WeakPolarHBondContact CA-OG1 3.44Å; D122-T125 PolarHBondContact O-OG1 3.36Å; T125-R127 PolarHBondContact O-N 3.43Å; T125-R128 PolarHBondContact O-N 3.25Å; T125-H129 WeakPolarHBondContact O-CB 3.01Å; T125-H129 PolarHBondContact O-N 2.99Å |
| 126 | L | 79.4 | Confident | 78.4 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 175.7 | -173.9 | 65.7 | 0 | 0 | 0 | 111.6 | D122 V123 H129 V130 | D122-L126 WeakPolarHBondContact O-CB 3.27Å; D122-L126 PolarHBondContact O-N 3.49Å; V123-L126 PolarHBondContact O-N 2.77Å; L126-H129 PolarHBondContact O-N 3.45Å; L126-V130 WeakPolarHBondContact O-CG2 3.34Å; L126-V130 PolarHBondContact O-N 3Å |
| 127 | R | 86.8 | Confident | 79.7 | Confident | 169 Ų | 169 | 108 Ų | 108 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.4 | -49.2 | 175.3 | -178.2 | -176.7 | 166.9 | -159 | -5.4 | 111.6 | V123 I124 T125 H129 V130 E131 | V123-R127 WeakPolarHBondContact O-CB 3.41Å; V123-R127 PolarHBondContact O-N 2.93Å; I124-R127 PolarHBondContact O-N 2.91Å; T125-R127 PolarHBondContact O-N 3.43Å; R127-H129 VanDerWaalsContact C-N 3.3Å; R127-H129 PolarHBondContact O-N 3.32Å; R127-V130 PolarHBondContact O-N 3.47Å; R127-E131 IonicContact CZ-OE1 3.59Å; R127-E131 VanDerWaalsContact CZ-OE1 3.25Å; R127-E131 IonicContact NE-OE1 3.54Å; R127-E131 PolarHBondContact NE-OE1 3.06Å; R127-E131 IonicContact NH2-OE1 3.01Å; R127-E131 PolarHBondContact NH2-OE1 2.93Å; R127-E131 WeakPolarHBondContact O-CG 3.35Å; R127-E131 PolarHBondContact O-N 2.88Å |
| 128 | R | 85.3 | Confident | 80.8 | Confident | 172 Ų | 172 | 103.4 Ų | 103.4 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.4 | -41.6 | 177.6 | -75.4 | 178.8 | 177.2 | -176.4 | 0.2 | 111.6 | I124 T125 E131 T132 | I124-R128 WeakPolarHBondContact O-CG 3.41Å; I124-R128 PolarHBondContact O-N 3.17Å; T125-R128 PolarHBondContact O-N 3.25Å; R128-E131 PolarHBondContact O-N 3.08Å; R128-T132 WeakPolarHBondContact O-CG2 3.21Å; R128-T132 PolarHBondContact O-N 3.25Å; R128-T132 PolarHBondContact O-OG1 3.39Å |
| 129 | H | 85.2 | Confident | 81.7 | Confident | 90 Ų | 90 | 106.6 Ų | 106.6 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 178.1 | 171.2 | -101.8 | 0 | 0 | 0 | 113 | T125 L126 R127 T132 K133 | T125-H129 WeakPolarHBondContact O-CB 3.01Å; T125-H129 PolarHBondContact O-N 2.99Å; L126-H129 PolarHBondContact O-N 3.45Å; R127-H129 VanDerWaalsContact C-N 3.3Å; R127-H129 PolarHBondContact O-N 3.32Å; H129-T132 PolarHBondContact O-OG1 3.37Å; H129-K133 VanDerWaalsContact CE1-CE 3.41Å; H129-K133 WeakPolarHBondContact CE1-CE 3.31Å; H129-K133 PolarHBondContact CE1-NZ 3.36Å; H129-K133 VanDerWaalsContact CE1-NZ 3.32Å; H129-K133 WeakPolarHBondContact NE2-CE 3.4Å; H129-K133 PolarHBondContact NE2-NZ 2.9Å; H129-K133 PolarHBondContact O-N 3.48Å |
| 130 | V | 88.3 | Confident | 82.1 | Confident | 74 Ų | 74 | 112.7 Ų | 112.7 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 174.3 | 173 | 0 | 0 | 0 | 0 | 110.6 | L126 R127 T132 K133 V134 | L126-V130 WeakPolarHBondContact O-CG2 3.34Å; L126-V130 PolarHBondContact O-N 3Å; R127-V130 PolarHBondContact O-N 3.47Å; V130-T132 PolarHBondContact O-N 3.5Å; V130-K133 PolarHBondContact O-N 2.88Å; V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 2.89Å |
| 131 | E | 82.9 | Confident | 82.2 | Confident | 67 Ų | 67 | 117 Ų | 117 | 31% | 0.313 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 178.2 | -76.2 | -177.8 | -174.5 | 0 | 0 | 112.2 | R127 R128 V134 R135 | R127-E131 IonicContact CZ-OE1 3.59Å; R127-E131 VanDerWaalsContact CZ-OE1 3.25Å; R127-E131 IonicContact NE-OE1 3.54Å; R127-E131 PolarHBondContact NE-OE1 3.06Å; R127-E131 IonicContact NH2-OE1 3.01Å; R127-E131 PolarHBondContact NH2-OE1 2.93Å; R127-E131 WeakPolarHBondContact O-CG 3.35Å; R127-E131 PolarHBondContact O-N 2.88Å; R128-E131 PolarHBondContact O-N 3.08Å; E131-V134 PolarHBondContact O-N 3.08Å; E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 VanDerWaalsContact O-CG 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.35Å; E131-R135 PolarHBondContact O-N 3.3Å |
| 132 | T | 89 | Confident | 82.1 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 176.5 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | R128 H129 V130 V134 R135 A136 | R128-T132 WeakPolarHBondContact O-CG2 3.21Å; R128-T132 PolarHBondContact O-N 3.25Å; R128-T132 PolarHBondContact O-OG1 3.39Å; H129-T132 PolarHBondContact O-OG1 3.37Å; V130-T132 PolarHBondContact O-N 3.5Å; T132-V134 PolarHBondContact O-N 3.45Å; T132-R135 PolarHBondContact O-N 3.36Å; T132-A136 WeakPolarHBondContact O-CB 3.38Å; T132-A136 PolarHBondContact O-N 3.47Å |
| 133 | K | 88.7 | Confident | 81.8 | Confident | 122 Ų | 122 | 115.6 Ų | 115.6 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 174.7 | -80.7 | -171.9 | 173.3 | 179.4 | 0 | 112.5 | H129 V130 A136 K137 | H129-K133 VanDerWaalsContact CE1-CE 3.41Å; H129-K133 WeakPolarHBondContact CE1-CE 3.31Å; H129-K133 PolarHBondContact CE1-NZ 3.36Å; H129-K133 VanDerWaalsContact CE1-NZ 3.32Å; H129-K133 WeakPolarHBondContact NE2-CE 3.4Å; H129-K133 PolarHBondContact NE2-NZ 2.9Å; H129-K133 PolarHBondContact O-N 3.48Å; V130-K133 PolarHBondContact O-N 2.88Å; K133-A136 PolarHBondContact O-N 3.18Å; K133-K137 WeakPolarHBondContact O-CG 3.46Å; K133-K137 PolarHBondContact O-N 3.4Å |
| 134 | V | 90.3 | Very high | 81 | Confident | 71 Ų | 71 | 115.3 Ų | 115.3 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | V130 E131 T132 A136 K137 I138 | V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.48Å; V130-V134 PolarHBondContact O-N 2.89Å; E131-V134 PolarHBondContact O-N 3.08Å; T132-V134 PolarHBondContact O-N 3.45Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 2.89Å; V134-K137 PolarHBondContact O-N 3.42Å; V134-I138 HydrophobicContact CG1-CD1 3.78Å; V134-I138 HydrophobicContact CG1-CG1 4.39Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 2.87Å |
| 135 | R | 84.3 | Confident | 80 | Confident | 158 Ų | 158 | 116 Ų | 116 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.6 | -41.3 | 176.1 | -73.5 | 175.6 | -176.2 | -161.6 | 2.6 | 112.1 | E131 T132 I138 R139 | E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 VanDerWaalsContact O-CG 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.35Å; E131-R135 PolarHBondContact O-N 3.3Å; T132-R135 PolarHBondContact O-N 3.36Å; R135-I138 PolarHBondContact O-N 2.84Å; R135-R139 WeakPolarHBondContact O-CB 3.4Å; R135-R139 WeakPolarHBondContact O-CG 3.35Å; R135-R139 PolarHBondContact O-N 3.06Å |
| 136 | A | 84.8 | Confident | 78.7 | Confident | 48 Ų | 48 | 119.8 Ų | 119.8 | 40% | 0.397 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T132 K133 V134 R139 K140 | T132-A136 WeakPolarHBondContact O-CB 3.38Å; T132-A136 PolarHBondContact O-N 3.47Å; K133-A136 PolarHBondContact O-N 3.18Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 2.89Å; A136-R139 PolarHBondContact O-N 2.88Å; A136-K140 WeakPolarHBondContact O-CB 3.46Å; A136-K140 WeakPolarHBondContact O-CG 3.37Å; A136-K140 PolarHBondContact O-N 3.41Å |
| 137 | K | 83.8 | Confident | 77.7 | Confident | 159 Ų | 159 | 120.1 Ų | 120.1 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -42.5 | 174.2 | -77.2 | -178.6 | 177 | -175.9 | 0 | 112.2 | K133 V134 K140 R141 | K133-K137 WeakPolarHBondContact O-CG 3.46Å; K133-K137 PolarHBondContact O-N 3.4Å; V134-K137 PolarHBondContact O-N 3.42Å; K137-K140 PolarHBondContact O-N 3.36Å; K137-R141 WeakPolarHBondContact O-CB 3.39Å; K137-R141 PolarHBondContact O-N 2.78Å |
| 138 | I | 82.9 | Confident | 76.1 | Confident | 103 Ų | 103 | 117.9 Ų | 117.9 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.5 | -45.5 | 176.6 | -67.5 | 167.9 | 0 | 0 | 0 | 110.7 | V134 R135 R141 K142 | V134-I138 HydrophobicContact CG1-CD1 3.78Å; V134-I138 HydrophobicContact CG1-CG1 4.39Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 2.87Å; R135-I138 PolarHBondContact O-N 2.84Å; I138-R141 PolarHBondContact O-N 3.25Å; I138-K142 WeakPolarHBondContact O-CB 3.36Å; I138-K142 PolarHBondContact O-N 2.81Å |
| 139 | R | 79.6 | Confident | 74.7 | Confident | 184 Ų | 184 | 117.5 Ų | 117.5 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -47.5 | 176.2 | -75 | 179.2 | -179.9 | -179 | -1.1 | 111.6 | R135 A136 R141 K142 V143 | R135-R139 WeakPolarHBondContact O-CB 3.4Å; R135-R139 WeakPolarHBondContact O-CG 3.35Å; R135-R139 PolarHBondContact O-N 3.06Å; A136-R139 PolarHBondContact O-N 2.88Å; R139-R141 PolarHBondContact O-N 2.91Å; R139-K142 PolarHBondContact O-N 2.99Å; R139-V143 WeakPolarHBondContact O-CB 3.41Å; R139-V143 VanDerWaalsContact O-CG2 3.28Å; R139-V143 WeakPolarHBondContact O-CG2 3.46Å; R139-V143 PolarHBondContact O-N 2.85Å |
| 140 | K | 76.8 | Confident | 73.3 | Confident | 156 Ų | 156 | 121.1 Ų | 121.1 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.4 | -47.6 | 175.1 | -76.9 | -173.3 | 177.8 | -170 | 0 | 111.4 | A136 K137 K142 V143 T144 | A136-K140 WeakPolarHBondContact O-CB 3.46Å; A136-K140 WeakPolarHBondContact O-CG 3.37Å; A136-K140 PolarHBondContact O-N 3.41Å; K137-K140 PolarHBondContact O-N 3.36Å; K140-K142 PolarHBondContact O-N 3.03Å; K140-V143 PolarHBondContact O-N 3.19Å; K140-T144 WeakPolarHBondContact O-CG2 3.33Å; K140-T144 PolarHBondContact O-N 3.37Å; K140-T144 PolarHBondContact O-OG1 2.91Å; K140-T144 VanDerWaalsContact O-OG1 3.1Å |
| 141 | R | 72.1 | Confident | 71.8 | Confident | 191 Ų | 191 | 123.9 Ų | 123.9 | 72% | 0.721 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.3 | -44.8 | 177.1 | -167.2 | 177.4 | -176.3 | -161.4 | 1 | 111.9 | K137 I138 R139 T144 T145 | K137-R141 WeakPolarHBondContact O-CB 3.39Å; K137-R141 PolarHBondContact O-N 2.78Å; I138-R141 PolarHBondContact O-N 3.25Å; R139-R141 PolarHBondContact O-N 2.91Å; R141-T144 WeakPolarHBondContact CA-OG1 3.18Å; R141-T144 PolarHBondContact O-N 3.37Å; R141-T144 PolarHBondContact O-OG1 3.45Å; R141-T145 WeakPolarHBondContact O-CB 3.41Å; R141-T145 PolarHBondContact O-N 2.85Å; R141-T145 PolarHBondContact O-OG1 2.78Å |
| 142 | K | 70.1 | Confident | 70.5 | Confident | 146 Ų | 146 | 129.9 Ų | 129.9 | 64% | 0.635 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.8 | -39.1 | 178 | -168.6 | 174.2 | -176.8 | 177.3 | 0 | 112.2 | I138 R139 K140 T145 K146 | I138-K142 WeakPolarHBondContact O-CB 3.36Å; I138-K142 PolarHBondContact O-N 2.81Å; R139-K142 PolarHBondContact O-N 2.99Å; K140-K142 PolarHBondContact O-N 3.03Å; K142-T145 PolarHBondContact O-N 3.47Å; K142-K146 PolarHBondContact O-N 3.35Å |
| 143 | V | 67.1 | Low | 69 | Low | 83 Ų | 83 | 130.3 Ų | 130.3 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.1 | -46.9 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110.4 | R139 K140 T145 K146 I147 | R139-V143 WeakPolarHBondContact O-CB 3.41Å; R139-V143 VanDerWaalsContact O-CG2 3.28Å; R139-V143 WeakPolarHBondContact O-CG2 3.46Å; R139-V143 PolarHBondContact O-N 2.85Å; K140-V143 PolarHBondContact O-N 3.19Å; V143-T145 VanDerWaalsContact C-N 3.33Å; V143-T145 PolarHBondContact O-N 3.4Å; V143-K146 PolarHBondContact O-N 3.1Å; V143-I147 HydrophobicContact CG1-CD1 3.67Å; V143-I147 HydrophobicContact CG1-CG1 4.41Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.47Å; V143-I147 PolarHBondContact O-N 2.88Å |
| 144 | T | 59.6 | Low | 67.5 | Low | 73 Ų | 73 | 130.8 Ų | 130.8 | 45% | 0.448 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -35 | 176.6 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | K140 R141 I147 N148 | K140-T144 WeakPolarHBondContact O-CG2 3.33Å; K140-T144 PolarHBondContact O-N 3.37Å; K140-T144 PolarHBondContact O-OG1 2.91Å; K140-T144 VanDerWaalsContact O-OG1 3.1Å; R141-T144 WeakPolarHBondContact CA-OG1 3.18Å; R141-T144 PolarHBondContact O-N 3.37Å; R141-T144 PolarHBondContact O-OG1 3.45Å; T144-I147 PolarHBondContact O-N 3.29Å; T144-N148 WeakPolarHBondContact O-CB 3.24Å; T144-N148 PolarHBondContact O-N 3.29Å; T144-N148 VanDerWaalsContact O-N 3.11Å; T144-N148 PolarHBondContact O-ND2 3.46Å |
| 145 | T | 58.9 | Low | 65.7 | Low | 90 Ų | 90 | 130.1 Ų | 130.1 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -37 | 174.4 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | R141 K142 V143 | R141-T145 WeakPolarHBondContact O-CB 3.41Å; R141-T145 PolarHBondContact O-N 2.85Å; R141-T145 PolarHBondContact O-OG1 2.78Å; K142-T145 PolarHBondContact O-N 3.47Å; V143-T145 VanDerWaalsContact C-N 3.33Å; V143-T145 PolarHBondContact O-N 3.4Å |
| 146 | K | 56.4 | Low | 64.3 | Low | 163 Ų | 163 | 131.5 Ų | 131.5 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.2 | -40.7 | 174.1 | -90.4 | -167.2 | 167.1 | -166 | 0 | 112.5 | K142 V143 N148 H149 | K142-K146 PolarHBondContact O-N 3.35Å; V143-K146 PolarHBondContact O-N 3.1Å; K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 2.87Å; K146-H149 PolarHBondContact O-N 3.25Å |
| 147 | I | 58.2 | Low | 62.8 | Low | 117 Ų | 117 | 139.5 Ų | 139.5 | 60% | 0.6 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.3 | -32.8 | 178.3 | -67.2 | 167.3 | 0 | 0 | 0 | 111 | V143 T144 H149 | V143-I147 HydrophobicContact CG1-CD1 3.67Å; V143-I147 HydrophobicContact CG1-CG1 4.41Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.47Å; V143-I147 PolarHBondContact O-N 2.88Å; T144-I147 PolarHBondContact O-N 3.29Å; I147-H149 VanDerWaalsContact C-N 3.26Å; I147-H149 PolarHBondContact O-N 3.45Å |
| 148 | N | 54.4 | Low | 61.4 | Low | 123 Ų | 123 | 137.5 Ų | 137.5 | 66% | 0.658 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 6.4 | 178.9 | -76.5 | -23.6 | 0 | 0 | 0 | 115.7 | T144 K146 | T144-N148 WeakPolarHBondContact O-CB 3.24Å; T144-N148 PolarHBondContact O-N 3.29Å; T144-N148 VanDerWaalsContact O-N 3.11Å; T144-N148 PolarHBondContact O-ND2 3.46Å; K146-N148 VanDerWaalsContact C-N 3.27Å; K146-N148 PolarHBondContact O-N 2.87Å |
| 149 | H | 56 | Low | 60.3 | Low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 4.6 | 176.4 | -154.6 | -59.8 | 0 | 0 | 0 | 113.5 | K146 I147 | K146-H149 PolarHBondContact O-N 3.25Å; I147-H149 VanDerWaalsContact C-N 3.26Å; I147-H149 PolarHBondContact O-N 3.45Å |
| 150 | H | 55.9 | Low | 59.7 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | trans | -105.4 | 9.9 | 179.8 | -100.8 | -72.5 | 0 | 0 | 0 | 116.3 | K152 | H150-K152 PolarHBondContact O-N 3.19Š| ||
| 151 | D | 55.3 | Low | 59.5 | Low | 132 Ų | 132 | 130.9 Ų | 130.9 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | trans | -72.8 | 100.1 | 162 | -77.8 | -14.1 | 0 | 0 | 0 | 108.2 | I153 | D151-I153 WeakPolarHBondContact O-CG1 3.44Å; D151-I153 PolarHBondContact O-N 2.96Å | ||
| 152 | K | 55.3 | Low | 59.6 | Low | 193 Ų | 193 | 128.7 Ų | 128.7 | 84% | 0.839 | 63% | 0.631 | S | S | * | * | trans | -56.2 | 93.9 | 159.2 | -83.4 | 179.8 | 177.2 | 177.8 | 0 | 106.8 | H150 N154 | H150-K152 PolarHBondContact O-N 3.19Å; K152-N154 PolarHBondContact O-N 3.32Å | ||
| 153 | I | 58 | Low | 59.8 | Low | 94 Ų | 94 | 127.6 Ų | 127.6 | 48% | 0.482 | 63% | 0.628 | S | S | . | * | trans | -67.6 | 91.5 | 174.7 | -67 | 155.5 | 0 | 0 | 0 | 105.9 | D151 G155 K158 | D151-I153 WeakPolarHBondContact O-CG1 3.44Å; D151-I153 PolarHBondContact O-N 2.96Å; I153-G155 PolarHBondContact O-N 2.84Å; I153-K158 HydrophobicContact CG2-CD 3.36Å; I153-K158 HydrophobicContact CG2-CG 3.57Å | ||
| 154 | N | 57.3 | Low | 60.7 | Low | 132 Ų | 132 | 130.4 Ų | 130.4 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -52.1 | 112.4 | 163.4 | -85.8 | -15.7 | 0 | 0 | 0 | 107.5 | K152 K156 R157 | K152-N154 PolarHBondContact O-N 3.32Å; N154-K156 PolarHBondContact O-N 3.26Å; N154-R157 PolarHBondContact O-N 3.35Å; N154-R157 VanDerWaalsContact O-N 3.1Å | ||
| 155 | G | 53.6 | Low | 62.1 | Low | 58 Ų | 58 | 131.9 Ų | 131.9 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -53.6 | -18.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I153 T159 | I153-G155 PolarHBondContact O-N 2.84Å; G155-T159 PolarHBondContact O-OG1 2.92Å |
| 156 | K | 53.6 | Low | 63.2 | Low | 186 Ų | 186 | 133.8 Ų | 133.8 | 81% | 0.809 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.9 | -30.1 | 178.7 | -64.2 | -175.2 | 178.2 | -177.8 | 0 | 114.7 | N154 T159 | N154-K156 PolarHBondContact O-N 3.26Å; K156-T159 PolarHBondContact O-OG1 3.49Å |
| 157 | R | 54.1 | Low | 64.7 | Low | 217 Ų | 217 | 131.9 Ų | 131.9 | 82% | 0.819 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.9 | -27.9 | -176.1 | -156.5 | 175.9 | -172 | 174 | 3.1 | 112.9 | N154 R161 | N154-R157 PolarHBondContact O-N 3.35Å; N154-R157 VanDerWaalsContact O-N 3.1Å; R157-R161 WeakPolarHBondContact O-CB 3.43Å; R157-R161 PolarHBondContact O-N 2.99Å; R157-R161 VanDerWaalsContact O-N 3.11Å |
| 158 | K | 53.9 | Low | 66.3 | Low | 116 Ų | 116 | 135.1 Ų | 135.1 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.4 | -37.6 | 176.7 | -84.8 | -173.5 | 178.7 | 166 | 0 | 112.2 | I153 K162 | I153-K158 HydrophobicContact CG2-CD 3.36Å; I153-K158 HydrophobicContact CG2-CG 3.57Å; K158-K162 VanDerWaalsContact O-CB 3.3Å; K158-K162 WeakPolarHBondContact O-CB 3.33Å; K158-K162 WeakPolarHBondContact O-CG 3.46Å; K158-K162 PolarHBondContact O-N 3.37Å |
| 159 | T | 59.3 | Low | 67.9 | Low | 78 Ų | 78 | 132 Ų | 132 | 48% | 0.479 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.9 | -46.4 | 176.1 | 11.2 | 0 | 0 | 0 | 0 | 111.3 | G155 K156 R161 K162 Q163 | G155-T159 PolarHBondContact O-OG1 2.92Å; K156-T159 PolarHBondContact O-OG1 3.49Å; T159-R161 PolarHBondContact O-N 3.5Å; T159-K162 PolarHBondContact O-N 2.96Å; T159-Q163 WeakPolarHBondContact O-CB 3.39Å; T159-Q163 WeakPolarHBondContact O-CG 3.28Å; T159-Q163 PolarHBondContact O-N 3.42Å |
| 160 | A | 67.8 | Low | 69.5 | Low | 44 Ų | 44 | 128.4 Ų | 128.4 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.9 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K164 | A160-K164 WeakPolarHBondContact O-CB 3.32Å; A160-K164 WeakPolarHBondContact O-CG 3.34Å; A160-K164 PolarHBondContact O-N 3.48Å |
| 161 | R | 72.8 | Confident | 71.2 | Confident | 183 Ų | 183 | 125.2 Ų | 125.2 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.3 | -39.7 | 176.7 | -167.8 | 177.6 | 177.4 | 173.8 | 0.1 | 112 | R157 T159 K164 M165 | R157-R161 WeakPolarHBondContact O-CB 3.43Å; R157-R161 PolarHBondContact O-N 2.99Å; R157-R161 VanDerWaalsContact O-N 3.11Å; T159-R161 PolarHBondContact O-N 3.5Å; R161-K164 PolarHBondContact O-N 2.87Å; R161-M165 HydrophobicContact CG-CE 4.25Å; R161-M165 WeakPolarHBondContact O-CG 3.47Å; R161-M165 PolarHBondContact O-N 3.35Å |
| 162 | K | 74.3 | Confident | 72.9 | Confident | 145 Ų | 145 | 124.2 Ų | 124.2 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.9 | -44.2 | 174 | -83.9 | -173.8 | 173 | -172.6 | 0 | 111.8 | K158 T159 K164 M165 F166 | K158-K162 VanDerWaalsContact O-CB 3.3Å; K158-K162 WeakPolarHBondContact O-CB 3.33Å; K158-K162 WeakPolarHBondContact O-CG 3.46Å; K158-K162 PolarHBondContact O-N 3.37Å; T159-K162 PolarHBondContact O-N 2.96Å; K162-K164 PolarHBondContact O-N 3.31Å; K162-M165 HydrophobicContact CG-CE 4.25Å; K162-M165 PolarHBondContact O-N 3.11Å; K162-F166 WeakPolarHBondContact O-CB 3.31Å; K162-F166 PolarHBondContact O-N 2.91Å |
| 163 | Q | 73.9 | Confident | 74.3 | Confident | 123 Ų | 123 | 123.3 Ų | 123.3 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.8 | -43.9 | 175.3 | -77.3 | 173.9 | -19.4 | 0 | 0 | 111.5 | T159 M165 F166 Q167 | T159-Q163 WeakPolarHBondContact O-CB 3.39Å; T159-Q163 WeakPolarHBondContact O-CG 3.28Å; T159-Q163 PolarHBondContact O-N 3.42Å; Q163-M165 VanDerWaalsContact C-N 3.35Å; Q163-M165 PolarHBondContact O-N 3.24Å; Q163-F166 PolarHBondContact O-N 3.45Å; Q163-Q167 WeakPolarHBondContact O-CB 3.46Å; Q163-Q167 WeakPolarHBondContact O-CG 3.29Å; Q163-Q167 PolarHBondContact O-N 3.19Å |
| 164 | K | 86.6 | Confident | 75.7 | Confident | 142 Ų | 142 | 127 Ų | 127 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.1 | -38.9 | 174.2 | -75.7 | -179 | 178.7 | -173.1 | 0 | 113 | A160 R161 K162 R168 | A160-K164 WeakPolarHBondContact O-CB 3.32Å; A160-K164 WeakPolarHBondContact O-CG 3.34Å; A160-K164 PolarHBondContact O-N 3.48Å; R161-K164 PolarHBondContact O-N 2.87Å; K162-K164 PolarHBondContact O-N 3.31Å; K164-R168 WeakPolarHBondContact O-CB 3.45Å; K164-R168 WeakPolarHBondContact O-CG 3.44Å; K164-R168 PolarHBondContact O-N 2.96Å |
| 165 | M | 87.4 | Confident | 77 | Confident | 103 Ų | 103 | 128 Ų | 128 | 51% | 0.507 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.5 | -38.9 | 175.2 | -72.9 | -174.9 | -63 | 0 | 0 | 111.9 | R161 K162 Q163 R168 A169 | R161-M165 HydrophobicContact CG-CE 4.25Å; R161-M165 WeakPolarHBondContact O-CG 3.47Å; R161-M165 PolarHBondContact O-N 3.35Å; K162-M165 HydrophobicContact CG-CE 4.25Å; K162-M165 PolarHBondContact O-N 3.11Å; Q163-M165 VanDerWaalsContact C-N 3.35Å; Q163-M165 PolarHBondContact O-N 3.24Å; M165-R168 PolarHBondContact O-N 2.95Å; M165-A169 WeakPolarHBondContact O-CB 3.17Å; M165-A169 PolarHBondContact O-N 3.48Å |
| 166 | F | 83.4 | Confident | 78.4 | Confident | 131 Ų | 131 | 128.1 Ų | 128.1 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.7 | -44.6 | 176.4 | -173.3 | -104.2 | 0 | 0 | 0 | 112 | K162 Q163 R168 A169 Q170 | K162-F166 WeakPolarHBondContact O-CB 3.31Å; K162-F166 PolarHBondContact O-N 2.91Å; Q163-F166 PolarHBondContact O-N 3.45Å; F166-R168 PolarHBondContact O-N 3.27Å; F166-A169 PolarHBondContact O-N 3.05Å; F166-Q170 HydrophobicContact CD1-CG 4.48Å; F166-Q170 HydrophobicContact CE1-CG 4.23Å; F166-Q170 HydrophobicContact CZ-CG 4.45Å; F166-Q170 WeakPolarHBondContact O-CG 3.01Å; F166-Q170 PolarHBondContact O-N 3.39Å |
| 167 | Q | 87.7 | Confident | 79.6 | Confident | 123 Ų | 123 | 123.2 Ų | 123.2 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.6 | -45.3 | 173.3 | -75 | 175.2 | -13.7 | 0 | 0 | 111.6 | Q163 A169 Q170 E171 | Q163-Q167 WeakPolarHBondContact O-CB 3.46Å; Q163-Q167 WeakPolarHBondContact O-CG 3.29Å; Q163-Q167 PolarHBondContact O-N 3.19Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.25Å; Q167-Q170 PolarHBondContact O-N 3.16Å; Q167-E171 PolarHBondContact O-N 2.96Å |
| 168 | R | 91 | Very high | 80.9 | Confident | 184 Ų | 184 | 116.7 Ų | 116.7 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 175.4 | -78.2 | -178.5 | 179.6 | -169.6 | -1.3 | 112.9 | K164 M165 F166 E171 L172 | K164-R168 WeakPolarHBondContact O-CB 3.45Å; K164-R168 WeakPolarHBondContact O-CG 3.44Å; K164-R168 PolarHBondContact O-N 2.96Å; M165-R168 PolarHBondContact O-N 2.95Å; F166-R168 PolarHBondContact O-N 3.27Å; R168-E171 PolarHBondContact O-N 3.44Å; R168-L172 WeakPolarHBondContact O-CG 3.44Å; R168-L172 PolarHBondContact O-N 3.33Å |
| 169 | A | 88.3 | Confident | 81.8 | Confident | 57 Ų | 57 | 118 Ų | 118 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M165 F166 Q167 L172 R173 | M165-A169 WeakPolarHBondContact O-CB 3.17Å; M165-A169 PolarHBondContact O-N 3.48Å; F166-A169 PolarHBondContact O-N 3.05Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.25Å; A169-L172 PolarHBondContact O-N 3.42Å; A169-R173 WeakPolarHBondContact O-CB 3.46Å; A169-R173 PolarHBondContact O-N 2.79Å |
| 170 | Q | 89.9 | Confident | 82.3 | Confident | 89 Ų | 89 | 119.8 Ų | 119.8 | 42% | 0.416 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 173.7 | -74.1 | -175.1 | -27.3 | 0 | 0 | 112.2 | F166 Q167 R173 R174 | F166-Q170 HydrophobicContact CD1-CG 4.48Å; F166-Q170 HydrophobicContact CE1-CG 4.23Å; F166-Q170 HydrophobicContact CZ-CG 4.45Å; F166-Q170 WeakPolarHBondContact O-CG 3.01Å; F166-Q170 PolarHBondContact O-N 3.39Å; Q167-Q170 PolarHBondContact O-N 3.16Å; Q170-R173 WeakPolarHBondContact O-CB 3.43Å; Q170-R173 PolarHBondContact O-N 2.73Å; Q170-R174 WeakPolarHBondContact O-CG 3.44Å; Q170-R174 PolarHBondContact O-N 3.23Å |
| 171 | E | 91.4 | Very high | 82.3 | Confident | 99 Ų | 99 | 122.4 Ų | 122.4 | 46% | 0.463 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 177.5 | -169.9 | 169.5 | 170.2 | 0 | 0 | 112.3 | Q167 R168 R173 R174 R175 | Q167-E171 PolarHBondContact O-N 2.96Å; R168-E171 PolarHBondContact O-N 3.44Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.32Å; E171-R174 PolarHBondContact O-N 3.46Å; E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 2.95Å; E171-R175 IonicContact OE1-CZ 2.87Å; E171-R175 IonicContact OE1-NE 3.88Å; E171-R175 IonicContact OE1-NH2 2.84Å; E171-R175 PolarHBondContact OE1-NH2 3.4Å |
| 172 | L | 91 | Very high | 82 | Confident | 112 Ų | 112 | 119.2 Ų | 119.2 | 59% | 0.586 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.2 | -39.8 | 172.3 | -74.2 | 172.5 | 0 | 0 | 0 | 111.9 | R168 A169 R175 A176 | R168-L172 WeakPolarHBondContact O-CG 3.44Å; R168-L172 PolarHBondContact O-N 3.33Å; A169-L172 PolarHBondContact O-N 3.42Å; L172-R175 PolarHBondContact O-N 3.48Å; L172-A176 WeakPolarHBondContact O-CB 3.29Å; L172-A176 PolarHBondContact O-N 2.76Å |
| 173 | R | 85.8 | Confident | 81.8 | Confident | 174 Ų | 174 | 118.7 Ų | 118.7 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.9 | -46.6 | 174.7 | -178.3 | 178.6 | 172.4 | 166.6 | 3.2 | 111.6 | A169 Q170 E171 R175 A176 E177 | A169-R173 WeakPolarHBondContact O-CB 3.46Å; A169-R173 PolarHBondContact O-N 2.79Å; Q170-R173 WeakPolarHBondContact O-CB 3.43Å; Q170-R173 PolarHBondContact O-N 2.73Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.32Å; R173-R175 PolarHBondContact O-N 2.87Å; R173-A176 PolarHBondContact O-N 3.43Å; R173-E177 WeakPolarHBondContact CG-OE1 3.3Å; R173-E177 IonicContact CZ-OE1 3.54Å; R173-E177 IonicContact NE-OE1 3.75Å; R173-E177 PolarHBondContact NE-OE1 2.64Å; R173-E177 IonicContact NH2-OE1 2.72Å; R173-E177 WeakPolarHBondContact O-CG 3.49Å; R173-E177 PolarHBondContact O-N 3.42Å |
| 174 | R | 85.8 | Confident | 81.4 | Confident | 172 Ų | 172 | 114.3 Ų | 114.3 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 175.9 | -72.5 | -179.9 | -178.2 | 178.7 | 0.3 | 111.7 | Q170 E171 A176 E177 D178 | Q170-R174 WeakPolarHBondContact O-CG 3.44Å; Q170-R174 PolarHBondContact O-N 3.23Å; E171-R174 PolarHBondContact O-N 3.46Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.37Å; R174-E177 PolarHBondContact O-N 3.32Å; R174-D178 WeakPolarHBondContact O-CB 3.48Å; R174-D178 VanDerWaalsContact O-CG 3.28Å; R174-D178 PolarHBondContact O-N 3.11Å |
| 175 | R | 86.1 | Confident | 80.6 | Confident | 151 Ų | 151 | 110.9 Ų | 110.9 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -37.8 | 176 | -71.6 | -178 | -169.6 | 170.2 | 3.8 | 113 | E171 L172 R173 Y179 | E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 2.95Å; E171-R175 IonicContact OE1-CZ 2.87Å; E171-R175 IonicContact OE1-NE 3.88Å; E171-R175 IonicContact OE1-NH2 2.84Å; E171-R175 PolarHBondContact OE1-NH2 3.4Å; L172-R175 PolarHBondContact O-N 3.48Å; R173-R175 PolarHBondContact O-N 2.87Å; R175-Y179 VanDerWaalsContact O-CB 3.29Å; R175-Y179 WeakPolarHBondContact O-CB 3.45Å; R175-Y179 PolarHBondContact O-N 3.47Å |
| 176 | A | 82 | Confident | 79.6 | Confident | 61 Ų | 61 | 111 Ų | 111 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L172 R173 R174 Y179 H180 | L172-A176 WeakPolarHBondContact O-CB 3.29Å; L172-A176 PolarHBondContact O-N 2.76Å; R173-A176 PolarHBondContact O-N 3.43Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.37Å; A176-Y179 PolarHBondContact O-N 3.33Å; A176-H180 WeakPolarHBondContact O-CB 3.29Å; A176-H180 PolarHBondContact O-N 2.96Å |
| 177 | E | 78.6 | Confident | 78.7 | Confident | 84 Ų | 84 | 109.1 Ų | 109.1 | 39% | 0.393 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.4 | -72.4 | 172.9 | -165.4 | 0 | 0 | 111.2 | R173 R174 H180 K181 | R173-E177 WeakPolarHBondContact CG-OE1 3.3Å; R173-E177 IonicContact CZ-OE1 3.54Å; R173-E177 IonicContact NE-OE1 3.75Å; R173-E177 PolarHBondContact NE-OE1 2.64Å; R173-E177 IonicContact NH2-OE1 2.72Å; R173-E177 WeakPolarHBondContact O-CG 3.49Å; R173-E177 PolarHBondContact O-N 3.42Å; R174-E177 PolarHBondContact O-N 3.32Å; E177-H180 PolarHBondContact O-N 3.33Å; E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 3.21Å |
| 178 | D | 82.6 | Confident | 77.6 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | 177.2 | -68.7 | -22.3 | 0 | 0 | 0 | 111.9 | R174 H180 K181 C182 | R174-D178 WeakPolarHBondContact O-CB 3.48Å; R174-D178 VanDerWaalsContact O-CG 3.28Å; R174-D178 PolarHBondContact O-N 3.11Å; D178-H180 VanDerWaalsContact C-N 3.33Å; D178-H180 PolarHBondContact O-N 2.83Å; D178-K181 WeakPolarHBondContact O-CB 3.43Å; D178-K181 PolarHBondContact O-N 2.91Å; D178-K181 IonicContact OD1-NZ 3.25Å; D178-C182 WeakPolarHBondContact O-CB 3.42Å; D178-C182 PolarHBondContact O-N 2.84Å; D178-C182 PolarHBondContact O-SG 2.79Å |
| 179 | Y | 72.6 | Confident | 76.3 | Confident | 143 Ų | 143 | 100.4 Ų | 100.4 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -42.3 | 172 | -176.5 | -101.7 | 0 | 0 | 0 | 112.1 | R175 A176 K181 C182 K183 | R175-Y179 VanDerWaalsContact O-CB 3.29Å; R175-Y179 WeakPolarHBondContact O-CB 3.45Å; R175-Y179 PolarHBondContact O-N 3.47Å; A176-Y179 PolarHBondContact O-N 3.33Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; Y179-C182 PolarHBondContact O-N 3.47Å; Y179-K183 HydrophobicContact CD1-CD 4.18Å; Y179-K183 HydrophobicContact CE1-CD 3.5Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 HydrophobicContact CE2-CD 4.36Å; Y179-K183 WeakPolarHBondContact O-CB 3.35Å; Y179-K183 PolarHBondContact O-N 3.12Å; Y179-K183 WeakPolarHBondContact OH-CE 3.47Å; Y179-K183 PolarHBondContact OH-NZ 3.33Å |
| 180 | H | 69.4 | Low | 75.3 | Confident | 116 Ų | 116 | 104.9 Ų | 104.9 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 175.7 | -170.1 | 72.7 | 0 | 0 | 0 | 111.8 | A176 E177 D178 I184 | A176-H180 WeakPolarHBondContact O-CB 3.29Å; A176-H180 PolarHBondContact O-N 2.96Å; E177-H180 PolarHBondContact O-N 3.33Å; D178-H180 VanDerWaalsContact C-N 3.33Å; D178-H180 PolarHBondContact O-N 2.83Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.48Å; H180-I184 PolarHBondContact O-N 3.48Å; H180-I184 VanDerWaalsContact O-N 3.16Å |
| 181 | K | 67.3 | Low | 74.2 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 172.6 | -71.7 | 171.8 | -170.5 | 165.3 | 0 | 111.5 | E177 D178 Y179 K183 I184 R189 | E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 3.21Å; D178-K181 WeakPolarHBondContact O-CB 3.43Å; D178-K181 PolarHBondContact O-N 2.91Å; D178-K181 IonicContact OD1-NZ 3.25Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; K181-K183 VanDerWaalsContact C-N 3.34Å; K181-K183 PolarHBondContact O-N 2.87Å; K181-I184 VanDerWaalsContact O-O 3.13Å; K181-R189 VanDerWaalsContact C-NH2 3.25Å; K181-R189 PolarHBondContact O-NH2 3.46Å |
| 182 | C | 67.7 | Low | 72.9 | Confident | 115 Ų | 115 | 103 Ų | 103 | 78% | 0.777 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.3 | -28.3 | -178.8 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | D178 Y179 | D178-C182 WeakPolarHBondContact O-CB 3.42Å; D178-C182 PolarHBondContact O-N 2.84Å; D178-C182 PolarHBondContact O-SG 2.79Å; Y179-C182 PolarHBondContact O-N 3.47Å |
| 183 | K | 69.8 | Low | 71.6 | Confident | 135 Ų | 135 | 101.5 Ų | 101.5 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -82.3 | -26.9 | 178.3 | -86.7 | -164.3 | 163 | -176.2 | 0 | 115 | Y179 K181 | Y179-K183 HydrophobicContact CD1-CD 4.18Å; Y179-K183 HydrophobicContact CE1-CD 3.5Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 HydrophobicContact CE2-CD 4.36Å; Y179-K183 WeakPolarHBondContact O-CB 3.35Å; Y179-K183 PolarHBondContact O-N 3.12Å; Y179-K183 WeakPolarHBondContact OH-CE 3.47Å; Y179-K183 PolarHBondContact OH-NZ 3.33Å; K181-K183 VanDerWaalsContact C-N 3.34Å; K181-K183 PolarHBondContact O-N 2.87Å |
| 184 | I | 65 | Low | 70.9 | Confident | 30 Ų | 30 | 97.3 Ų | 97.3 | 15% | 0.154 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -106.1 | 113.3 | -178.2 | -53.1 | -172.7 | 0 | 0 | 0 | 109.7 | H180 K181 A188 R189 L192 | H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.48Å; H180-I184 PolarHBondContact O-N 3.48Å; H180-I184 VanDerWaalsContact O-N 3.16Å; K181-I184 VanDerWaalsContact O-O 3.13Å; I184-A188 HydrophobicContact CG2-CB 3.73Å; I184-R189 HydrophobicContact CB-CG 4.02Å; I184-R189 HydrophobicContact CG2-CG 3.48Å; I184-R189 VanDerWaalsContact CG2-CG 3.48Å; I184-R189 PolarHBondContact O-NE 3.21Å; I184-R189 VanDerWaalsContact O-NE 3.11Å; I184-R189 PolarHBondContact O-NH2 2.94Å; I184-L192 HydrophobicContact CD1-CD1 4.45Å |
| 185 | P | 69.8 | Low | 70.1 | Confident | 70 Ų | 70 | 97.6 Ų | 97.6 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -59.7 | 145.8 | 177.1 | 23.6 | -30.6 | 0 | 0 | 0 | 109.9 | S187 A188 R189 | P185-S187 PolarHBondContact O-N 2.97Å; P185-A188 HydrophobicContact CG-CB 3.82Å; P185-A188 PolarHBondContact O-N 3.4Å; P185-R189 PolarHBondContact O-N 3.49Å | ||
| 186 | P | 65.5 | Low | 69.3 | Low | 105 Ų | 105 | 94.5 Ų | 94.5 | 68% | 0.682 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -52.1 | -33.9 | -176.4 | -28.1 | 34.6 | 0 | 0 | 0 | 114.1 | R189 K190 | P186-R189 PolarHBondContact O-N 3.49Å; P186-K190 PolarHBondContact O-N 3.01Å |
| 187 | S | 64.9 | Low | 68.5 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -43 | 175.7 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | P185 R189 K190 A191 | P185-S187 PolarHBondContact O-N 2.97Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 3.24Å; S187-K190 PolarHBondContact O-N 2.93Å; S187-A191 PolarHBondContact O-N 3.38Å |
| 188 | A | 64.3 | Low | 67.7 | Low | 35 Ų | 35 | 102.8 Ų | 102.8 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.8 | -28.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I184 P185 A191 L192 | I184-A188 HydrophobicContact CG2-CB 3.73Å; P185-A188 HydrophobicContact CG-CB 3.82Å; P185-A188 PolarHBondContact O-N 3.4Å; A188-A191 PolarHBondContact O-N 2.93Å; A188-L192 WeakPolarHBondContact O-CB 3.34Å; A188-L192 PolarHBondContact O-N 2.97Å |
| 189 | R | 65 | Low | 66.6 | Low | 89 Ų | 89 | 100.5 Ų | 100.5 | 34% | 0.336 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 172 | -60.2 | -170.3 | -151 | 158.7 | 12.2 | 111.7 | K181 I184 P185 P186 S187 L192 C193 | K181-R189 VanDerWaalsContact C-NH2 3.25Å; K181-R189 PolarHBondContact O-NH2 3.46Å; I184-R189 HydrophobicContact CB-CG 4.02Å; I184-R189 HydrophobicContact CG2-CG 3.48Å; I184-R189 VanDerWaalsContact CG2-CG 3.48Å; I184-R189 PolarHBondContact O-NE 3.21Å; I184-R189 VanDerWaalsContact O-NE 3.11Å; I184-R189 PolarHBondContact O-NH2 2.94Å; P185-R189 PolarHBondContact O-N 3.49Å; P186-R189 PolarHBondContact O-N 3.49Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 3.24Å; R189-L192 PolarHBondContact O-N 3.4Å; R189-C193 WeakPolarHBondContact O-CB 3.41Å; R189-C193 PolarHBondContact O-N 3.41Å; R189-C193 PolarHBondContact O-SG 3.27Å; R189-C193 VanDerWaalsContact O-SG 3.39Å |
| 190 | K | 66.2 | Low | 66 | Low | 152 Ų | 152 | 95.9 Ų | 95.9 | 66% | 0.661 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 177.4 | -161 | 175.8 | -175.8 | -177.7 | 0 | 111.2 | P186 S187 C193 N194 | P186-K190 PolarHBondContact O-N 3.01Å; S187-K190 PolarHBondContact O-N 2.93Å; K190-C193 PolarHBondContact O-N 3.43Å; K190-N194 VanDerWaalsContact O-CB 3.32Å; K190-N194 WeakPolarHBondContact O-CB 3.37Å; K190-N194 PolarHBondContact O-N 3.25Å |
| 191 | A | 66.6 | Low | 65.5 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S187 A188 N194 W195 | S187-A191 PolarHBondContact O-N 3.38Å; A188-A191 PolarHBondContact O-N 2.93Å; A191-N194 PolarHBondContact O-N 3.37Å; A191-W195 WeakPolarHBondContact O-CB 3.28Å; A191-W195 PolarHBondContact O-N 2.99Å |
| 192 | L | 65.1 | Low | 64.8 | Low | 86 Ų | 86 | 94.2 Ų | 94.2 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.1 | -99.3 | 150.8 | 0 | 0 | 0 | 112.6 | I184 A188 R189 N194 W195 V196 | I184-L192 HydrophobicContact CD1-CD1 4.45Å; A188-L192 WeakPolarHBondContact O-CB 3.34Å; A188-L192 PolarHBondContact O-N 2.97Å; R189-L192 PolarHBondContact O-N 3.4Å; L192-N194 VanDerWaalsContact C-N 3.34Å; L192-N194 PolarHBondContact O-N 3.31Å; L192-W195 PolarHBondContact O-N 3.48Å; L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.45Å; L192-V196 PolarHBondContact O-N 3.36Å |
| 193 | C | 64.1 | Low | 64 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.2 | -73.2 | 0 | 0 | 0 | 0 | 112.2 | R189 K190 R197 | R189-C193 WeakPolarHBondContact O-CB 3.41Å; R189-C193 PolarHBondContact O-N 3.41Å; R189-C193 PolarHBondContact O-SG 3.27Å; R189-C193 VanDerWaalsContact O-SG 3.39Å; K190-C193 PolarHBondContact O-N 3.43Å; C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.43Å; C193-R197 PolarHBondContact O-N 3.06Å |
| 194 | N | 71.3 | Confident | 62.9 | Low | 86 Ų | 86 | 98.9 Ų | 98.9 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 174.8 | -74.7 | -8.3 | 0 | 0 | 0 | 111.3 | K190 A191 L192 R197 M198 | K190-N194 VanDerWaalsContact O-CB 3.32Å; K190-N194 WeakPolarHBondContact O-CB 3.37Å; K190-N194 PolarHBondContact O-N 3.25Å; A191-N194 PolarHBondContact O-N 3.37Å; L192-N194 VanDerWaalsContact C-N 3.34Å; L192-N194 PolarHBondContact O-N 3.31Å; N194-R197 PolarHBondContact O-N 3.44Å; N194-M198 WeakPolarHBondContact O-CB 3.3Å; N194-M198 VanDerWaalsContact O-CG 3.3Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 2.91Å |
| 195 | W | 68.4 | Low | 62.2 | Low | 179 Ų | 179 | 105.3 Ų | 105.3 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 176.3 | -176 | 71.1 | 0 | 0 | 0 | 112.2 | A191 L192 R197 M198 A199 | A191-W195 WeakPolarHBondContact O-CB 3.28Å; A191-W195 PolarHBondContact O-N 2.99Å; L192-W195 PolarHBondContact O-N 3.48Å; W195-R197 VanDerWaalsContact C-N 3.31Å; W195-R197 PolarHBondContact O-N 2.94Å; W195-M198 PolarHBondContact O-N 2.93Å; W195-A199 WeakPolarHBondContact O-CB 3.4Å; W195-A199 PolarHBondContact O-N 2.91Å |
| 196 | V | 68.4 | Low | 61.4 | Low | 86 Ų | 86 | 107.3 Ų | 107.3 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.5 | -37.8 | 174 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L192 A200 | L192-V196 VanDerWaalsContact O-CG2 3.31Å; L192-V196 WeakPolarHBondContact O-CG2 3.45Å; L192-V196 PolarHBondContact O-N 3.36Å; V196-A200 VanDerWaalsContact O-CB 3.24Å; V196-A200 WeakPolarHBondContact O-CB 3.39Å; V196-A200 PolarHBondContact O-N 3.48Å |
| 197 | R | 65.5 | Low | 60.8 | Low | 194 Ų | 194 | 105.2 Ų | 105.2 | 73% | 0.732 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 174.3 | -76.2 | 179.2 | 100.2 | 162.9 | 6 | 112.4 | C193 N194 W195 A200 A201 | C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.43Å; C193-R197 PolarHBondContact O-N 3.06Å; N194-R197 PolarHBondContact O-N 3.44Å; W195-R197 VanDerWaalsContact C-N 3.31Å; W195-R197 PolarHBondContact O-N 2.94Å; R197-A200 PolarHBondContact O-N 3.03Å; R197-A201 WeakPolarHBondContact O-CB 3.48Å; R197-A201 PolarHBondContact O-N 2.85Å |
| 198 | M | 63 | Low | 60.1 | Low | 124 Ų | 124 | 104.3 Ų | 104.3 | 61% | 0.611 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66 | -46.9 | 176.4 | -73.8 | -59.9 | -61.8 | 0 | 0 | 111.2 | N194 W195 A200 A201 E202 | N194-M198 WeakPolarHBondContact O-CB 3.3Å; N194-M198 VanDerWaalsContact O-CG 3.3Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 2.91Å; W195-M198 PolarHBondContact O-N 2.93Å; M198-A200 VanDerWaalsContact C-N 3.29Å; M198-A200 PolarHBondContact O-N 3.25Å; M198-A201 CarbonylContact O-C 3.58Å; M198-A201 WeakPolarHBondContact O-CB 3.5Å; M198-A201 PolarHBondContact O-N 3.24Å; M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.32Å; M198-E202 PolarHBondContact O-N 3.44Å |
| 199 | A | 59.2 | Low | 59.3 | Low | 33 Ų | 33 | 109.2 Ų | 109.2 | 27% | 0.273 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W195 E202 H203 | W195-A199 WeakPolarHBondContact O-CB 3.4Å; W195-A199 PolarHBondContact O-N 2.91Å; A199-E202 PolarHBondContact O-N 3.49Å; A199-H203 WeakPolarHBondContact O-CB 3.44Å; A199-H203 PolarHBondContact O-N 2.98Å |
| 200 | A | 58.6 | Low | 58.2 | Low | 45 Ų | 45 | 110 Ų | 110 | 37% | 0.372 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.4 | -31.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V196 R197 M198 R204 | V196-A200 VanDerWaalsContact O-CB 3.24Å; V196-A200 WeakPolarHBondContact O-CB 3.39Å; V196-A200 PolarHBondContact O-N 3.48Å; R197-A200 PolarHBondContact O-N 3.03Å; M198-A200 VanDerWaalsContact C-N 3.29Å; M198-A200 PolarHBondContact O-N 3.25Å; A200-R204 WeakPolarHBondContact O-CB 3.48Å; A200-R204 WeakPolarHBondContact O-CD 3.35Å; A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.41Å |
| 201 | A | 58.9 | Low | 57 | Low | 37 Ų | 37 | 112.2 Ų | 112.2 | 31% | 0.306 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.6 | -41.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R197 M198 R204 H205 | R197-A201 WeakPolarHBondContact O-CB 3.48Å; R197-A201 PolarHBondContact O-N 2.85Å; M198-A201 CarbonylContact O-C 3.58Å; M198-A201 WeakPolarHBondContact O-CB 3.5Å; M198-A201 PolarHBondContact O-N 3.24Å; A201-R204 WeakPolarHBondContact O-CA 3.33Å; A201-R204 WeakPolarHBondContact O-CB 3.38Å; A201-R204 PolarHBondContact O-N 3.24Å; A201-H205 PolarHBondContact O-CD2 2.83Å; A201-H205 PolarHBondContact O-N 3.44Å; A201-H205 VanDerWaalsContact O-N 3.08Å |
| 202 | E | 54.3 | Low | 55.9 | Low | 144 Ų | 144 | 120.2 Ų | 120.2 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67 | -42.1 | 179.3 | -164.8 | 168 | -167.9 | 0 | 0 | 111.7 | M198 A199 R204 H205 S206 | M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.32Å; M198-E202 PolarHBondContact O-N 3.44Å; A199-E202 PolarHBondContact O-N 3.49Å; E202-R204 PolarHBondContact O-N 3.21Å; E202-H205 PolarHBondContact O-N 3.44Å; E202-S206 PolarHBondContact O-N 2.92Å |
| 203 | H | 49.9 | Very low | 55 | Low | 154 Ų | 154 | 119.4 Ų | 119.4 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.3 | -24.9 | 169.9 | -109.3 | -73.8 | 0 | 0 | 0 | 113.5 | A199 | A199-H203 WeakPolarHBondContact O-CB 3.44Å; A199-H203 PolarHBondContact O-N 2.98Å |
| 204 | R | 47.8 | Very low | 54 | Low | 193 Ų | 193 | 126.2 Ų | 126.2 | 73% | 0.728 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -85.8 | -21.7 | 179.1 | -79.2 | 175.4 | 179.3 | -176.8 | -0.1 | 113.9 | A200 A201 E202 S207 | A200-R204 WeakPolarHBondContact O-CB 3.48Å; A200-R204 WeakPolarHBondContact O-CD 3.35Å; A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.41Å; A201-R204 WeakPolarHBondContact O-CA 3.33Å; A201-R204 WeakPolarHBondContact O-CB 3.38Å; A201-R204 PolarHBondContact O-N 3.24Å; E202-R204 PolarHBondContact O-N 3.21Å; R204-S207 PolarHBondContact O-OG 3.31Å |
| 205 | H | 49.6 | Very low | 52.9 | Low | 166 Ų | 166 | 126.2 Ų | 126.2 | 77% | 0.769 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.2 | -25.5 | 172.9 | -71.2 | -60 | 0 | 0 | 0 | 112.5 | A201 E202 | A201-H205 PolarHBondContact O-CD2 2.83Å; A201-H205 PolarHBondContact O-N 3.44Å; A201-H205 VanDerWaalsContact O-N 3.08Å; E202-H205 PolarHBondContact O-N 3.44Å |
| 206 | S | 52.3 | Low | 52.3 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -14.2 | 176.9 | -158.1 | 0 | 0 | 0 | 0 | 113.8 | E202 | E202-S206 PolarHBondContact O-N 2.92Š|
| 207 | S | 53.5 | Low | 51.4 | Low | 61 Ų | 61 | 121.9 Ų | 121.9 | 43% | 0.427 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -2.6 | -175.9 | 63.1 | 0 | 0 | 0 | 0 | 115.4 | R204 L209 | R204-S207 PolarHBondContact O-OG 3.31Å; S207-L209 PolarHBondContact O-N 2.74Å |
| 208 | G | 50 | Low | 50.8 | Low | 73 Ų | 73 | 119 Ų | 119 | 75% | 0.753 | 62% | 0.623 | S | S | * | * | trans | 60.6 | 15.1 | 173 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 209 | L | 47.8 | Very low | 50.3 | Low | 139 Ų | 139 | 115.7 Ų | 115.7 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | trans | -84.9 | 134.2 | -176.9 | -80.7 | 164.4 | 0 | 0 | 0 | 111.7 | S207 Y211 | S207-L209 PolarHBondContact O-N 2.74Å; L209-Y211 PolarHBondContact O-N 2.82Å | ||
| 210 | P | 42 | Very low | 50.1 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | trans | -64.3 | 135 | -178.7 | 23.6 | -30.7 | 0 | 0 | 0 | 111.7 | W212 | P210-W212 PolarHBondContact O-N 3.26Š| ||
| 211 | Y | 41.6 | Very low | 49.8 | Very low | 198 Ų | 198 | 123.6 Ų | 123.6 | 78% | 0.776 | 63% | 0.634 | S | S | * | * | trans | -61.4 | 110.3 | 179.2 | 173.9 | -104 | 0 | 0 | 0 | 111.3 | L209 P213 | L209-Y211 PolarHBondContact O-N 2.82Å; Y211-P213 HydrophobicContact CD1-CB 4.47Å; Y211-P213 HydrophobicContact CD1-CG 4.17Å; Y211-P213 HydrophobicContact CE1-CB 3.59Å; Y211-P213 HydrophobicContact CE1-CG 3.61Å | ||
| 212 | W | 42.4 | Very low | 49.8 | Very low | 229 Ų | 229 | 127.2 Ų | 127.2 | 87% | 0.867 | 65% | 0.648 | S | S | * | * | trans | -95.7 | 111.2 | 158.2 | -88.6 | 87.5 | 0 | 0 | 0 | 108.2 | P210 Y214 | P210-W212 PolarHBondContact O-N 3.26Å; W212-Y214 PolarHBondContact O-N 3.15Å | ||
| 213 | P | 46.1 | Very low | 49.8 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | trans | -62.3 | 114.9 | 175.8 | 10.1 | -8.7 | 0 | 0 | 0 | 108.3 | Y211 L215 | Y211-P213 HydrophobicContact CD1-CB 4.47Å; Y211-P213 HydrophobicContact CD1-CG 4.17Å; Y211-P213 HydrophobicContact CE1-CB 3.59Å; Y211-P213 HydrophobicContact CE1-CG 3.61Å; P213-L215 PolarHBondContact O-N 3.32Å | ||
| 214 | Y | 43.8 | Very low | 50 | Low | 224 Ų | 224 | 129.1 Ų | 129.1 | 88% | 0.878 | 65% | 0.651 | S | S | * | * | trans | -58.2 | 107.6 | 161.7 | -139.2 | -93.4 | 0 | 0 | 0 | 105.5 | W212 T216 | W212-Y214 PolarHBondContact O-N 3.15Å; Y214-T216 PolarHBondContact O-N 3.01Å | ||
| 215 | L | 47.3 | Very low | 50.2 | Low | 85 Ų | 85 | 123 Ų | 123 | 45% | 0.445 | 65% | 0.648 | S | S | . | * | trans | -52.7 | 107.7 | 174.4 | -82 | 157 | 0 | 0 | 0 | 107.3 | P213 A217 T219 | P213-L215 PolarHBondContact O-N 3.32Å; L215-A217 PolarHBondContact O-N 3.03Å; L215-T219 HydrophobicContact CD2-CG2 3.9Å | ||
| 216 | T | 55.7 | Low | 50.4 | Low | 95 Ų | 95 | 122.8 Ų | 122.8 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | trans | -55.2 | 141.2 | 174 | -25.3 | 0 | 0 | 0 | 0 | 107.2 | Y214 E218 T219 L220 | Y214-T216 PolarHBondContact O-N 3.01Å; T216-E218 PolarHBondContact O-N 3.33Å; T216-T219 PolarHBondContact N-OG1 3.36Å; T216-T219 WeakPolarHBondContact O-CB 3.35Å; T216-T219 PolarHBondContact O-N 3.26Å; T216-T219 PolarHBondContact O-OG1 2.87Å; T216-L220 PolarHBondContact O-N 3.18Å | ||
| 217 | A | 51.2 | Low | 50.5 | Low | 80 Ų | 80 | 126.2 Ų | 126.2 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -51.8 | -28.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L215 T219 L220 K221 | L215-A217 PolarHBondContact O-N 3.03Å; A217-T219 PolarHBondContact O-N 2.72Å; A217-L220 PolarHBondContact O-N 2.99Å; A217-K221 PolarHBondContact O-N 3.11Å |
| 218 | E | 52.1 | Low | 50.7 | Low | 132 Ų | 132 | 128.7 Ų | 128.7 | 62% | 0.617 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -52.2 | -47.8 | 168.9 | -128 | 82.7 | -143.2 | 0 | 0 | 113.5 | T216 L220 K221 N222 | T216-E218 PolarHBondContact O-N 3.33Å; E218-L220 PolarHBondContact O-N 2.81Å; E218-K221 PolarHBondContact O-N 2.98Å; E218-N222 PolarHBondContact O-N 3.01Å; E218-N222 VanDerWaalsContact O-N 3.12Å |
| 219 | T | 51.3 | Low | 51.1 | Low | 56 Ų | 56 | 130.8 Ų | 130.8 | 34% | 0.344 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69.3 | -33.4 | -177.3 | -9 | 0 | 0 | 0 | 0 | 112.4 | L215 T216 A217 R223 | L215-T219 HydrophobicContact CD2-CG2 3.9Å; T216-T219 PolarHBondContact N-OG1 3.36Å; T216-T219 WeakPolarHBondContact O-CB 3.35Å; T216-T219 PolarHBondContact O-N 3.26Å; T216-T219 PolarHBondContact O-OG1 2.87Å; A217-T219 PolarHBondContact O-N 2.72Å; T219-R223 PolarHBondContact O-N 3.14Å |
| 220 | L | 55 | Low | 51.4 | Low | 91 Ų | 91 | 129.5 Ų | 129.5 | 48% | 0.476 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -72.5 | -37.1 | 176 | -119.7 | 155.5 | 0 | 0 | 0 | 111.1 | T216 A217 E218 R223 M224 | T216-L220 PolarHBondContact O-N 3.18Å; A217-L220 PolarHBondContact O-N 2.99Å; E218-L220 PolarHBondContact O-N 2.81Å; L220-R223 PolarHBondContact O-N 3.1Å; L220-M224 HydrophobicContact CB-CE 4.45Å; L220-M224 HydrophobicContact CD2-CE 3.85Å; L220-M224 WeakPolarHBondContact O-CE 3.23Å; L220-M224 PolarHBondContact O-N 3.44Å |
| 221 | K | 54.3 | Low | 51.7 | Low | 153 Ų | 153 | 130.4 Ų | 130.4 | 67% | 0.665 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.1 | -40.7 | 175.6 | -170.6 | -179.6 | 170.9 | -172.7 | 0 | 112.3 | A217 E218 R223 M224 | A217-K221 PolarHBondContact O-N 3.11Å; E218-K221 PolarHBondContact O-N 2.98Å; K221-R223 VanDerWaalsContact C-N 3.32Å; K221-R223 PolarHBondContact O-N 2.85Å; K221-M224 PolarHBondContact O-N 3.21Å |
| 222 | N | 56.9 | Low | 52.1 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69 | -28.2 | 178.4 | -68.7 | -17.4 | 0 | 0 | 0 | 113.2 | E218 | E218-N222 PolarHBondContact O-N 3.01Å; E218-N222 VanDerWaalsContact O-N 3.12Å |
| 223 | R | 55.7 | Low | 52.4 | Low | 192 Ų | 192 | 125.6 Ų | 125.6 | 73% | 0.725 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.3 | -27.4 | 175.1 | -76 | -172.8 | 178.3 | -170.7 | -0.1 | 114 | T219 L220 K221 G225 | T219-R223 PolarHBondContact O-N 3.14Å; L220-R223 PolarHBondContact O-N 3.1Å; K221-R223 VanDerWaalsContact C-N 3.32Å; K221-R223 PolarHBondContact O-N 2.85Å; R223-G225 VanDerWaalsContact C-N 3.3Å |
| 224 | M | 53.5 | Low | 52.6 | Low | 147 Ų | 147 | 134.8 Ų | 134.8 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -78.2 | -12 | 176.3 | -79.8 | -177.2 | -82.1 | 0 | 0 | 113.9 | L220 K221 | L220-M224 HydrophobicContact CB-CE 4.45Å; L220-M224 HydrophobicContact CD2-CE 3.85Å; L220-M224 WeakPolarHBondContact O-CE 3.23Å; L220-M224 PolarHBondContact O-N 3.44Å; K221-M224 PolarHBondContact O-N 3.21Å |
| 225 | G | 51.6 | Low | 53 | Low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -4.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R223 | R223-G225 VanDerWaalsContact C-N 3.3Š|
| 226 | H | 54 | Low | 53.3 | Low | 161 Ų | 161 | 132.7 Ų | 132.7 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | trans | -102.1 | 113.9 | 179.8 | -76.5 | 57.7 | 0 | 0 | 0 | 110.1 | ||||
| 227 | Q | 54.2 | Low | 53.2 | Low | 184 Ų | 184 | 134.8 Ų | 134.8 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.8 | 164.6 | -80.4 | -165.7 | -5.8 | 0 | 0 | 109.6 | ||
| 228 | P | 57.7 | Low | 53.3 | Low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -67 | 145 | 172 | 27.2 | -31.3 | 0 | 0 | 0 | 110.5 | ||
| 229 | P | 59.2 | Low | 53.4 | Low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 148.6 | 178 | 27.1 | -33 | 0 | 0 | 0 | 110.9 | ||
| 230 | P | 54.5 | Low | 53.6 | Low | 112 Ų | 112 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 144.9 | -177 | 26.3 | -33.1 | 0 | 0 | 0 | 111.4 | T232 | P230-T232 PolarHBondContact O-N 3.38Š|
| 231 | P | 47 | Very low | 53.4 | Low | 124 Ų | 124 | 147.7 Ų | 147.7 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.8 | -177.7 | 26.5 | -32.6 | 0 | 0 | 0 | 110.9 | Q233 | P231-Q233 PolarHBondContact O-N 3.45Š|
| 232 | T | 50.1 | Low | 53.4 | Low | 137 Ų | 137 | 147.3 Ų | 147.3 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 123.2 | 172.9 | -38.4 | 0 | 0 | 0 | 0 | 108.9 | P230 | P230-T232 PolarHBondContact O-N 3.38Š|
| 233 | Q | 49.4 | Very low | 53.1 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 129.2 | 170.5 | -68.9 | -149.9 | 6.6 | 0 | 0 | 109.5 | P231 | P231-Q233 PolarHBondContact O-N 3.45Š|
| 234 | Q | 50.3 | Low | 52.9 | Low | 263 Ų | 263 | 146.5 Ų | 146.5 | 100% | 1.229 | 82% | 0.815 | S | S | * | * | trans | -108.7 | 0 | 159.5 | -77.2 | -171.6 | -16.2 | 0 | 0 | 108.1 |
Retrieved 234 of 234 residues in 50.5 ms
(Link to these results)