| 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 | 34.5 | Very low | 34.1 | Very low | 227 Ų | 227 | 165.7 Ų | 165.7 | 100% | 1.118 | 86% | 0.857 | S | S | * | * | 0 | 123.2 | 0 | -121.8 | 175.7 | 177.5 | 0 | 0 | 107 | |||||
| 2 | F | 29.9 | Very low | 34 | Very low | 188 Ų | 188 | 158 Ų | 158 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | trans | 63.9 | 134.2 | 175.6 | -65.2 | -87.5 | 0 | 0 | 0 | 116.2 | ||||
| 3 | C | 28.3 | Very low | 34.1 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 69% | 0.689 | 84% | 0.844 | S | S | * | * | cis | -148 | 128 | 33.1 | -140.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | C | 40.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 86% | 0.858 | 84% | 0.844 | S | S | * | * | trans | -81.3 | 117.1 | 159.1 | -60.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | L | 36.3 | Very low | 35.1 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 86% | 0.859 | 84% | 0.843 | S | S | * | * | trans | -150.6 | 128.4 | 158.1 | -72.2 | 172.5 | 0 | 0 | 0 | 103.6 | ||||
| 6 | G | 32 | Very low | 35.8 | Very low | 61 Ų | 61 | 149.1 Ų | 149.1 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | cis | 151.7 | 129.5 | 25.4 | 0 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 7 | Y | 32.8 | Very low | 36 | Very low | 233 Ų | 233 | 154.8 Ų | 154.8 | 91% | 0.914 | 83% | 0.833 | S | S | * | * | trans | -71.3 | 124.7 | -173.8 | -40.3 | -96.3 | 0 | 0 | 0 | 109.1 | ||||
| 8 | E | 33.5 | Very low | 36.3 | Very low | 197 Ų | 197 | 154.8 Ų | 154.8 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -127.6 | 106.7 | 162.1 | -82.7 | -171.3 | 151.4 | 0 | 0 | 109.6 | ||||
| 9 | W | 38.5 | Very low | 36.9 | Very low | 237 Ų | 237 | 149.2 Ų | 149.2 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -83.9 | 124.8 | 157.2 | -90 | 78.3 | 0 | 0 | 0 | 107.7 | ||||
| 10 | L | 35.7 | Very low | 37.4 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | 164.3 | 155.9 | 122.1 | -89.2 | 159.9 | 0 | 0 | 0 | 111.9 | |||||
| 11 | S | 33.6 | Very low | 37.5 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | 81.3 | 106.9 | 174.9 | -145.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 12 | G | 33 | Very low | 38.1 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | cis | 117.3 | 108.5 | 42.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 13 | G | 35.4 | Very low | 39.1 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | 94.2 | 111.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 14 | C | 42.1 | Very low | 40 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | 77.6 | 95.5 | 148.2 | -150.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 15 | K | 41.4 | Very low | 40.2 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | 158.8 | 103.2 | 146.7 | -87.5 | 153.4 | -170.8 | 176.5 | 0 | 103.4 | ||||
| 16 | T | 45.7 | Very low | 40.5 | Very low | 96 Ų | 96 | 130 Ų | 130 | 59% | 0.589 | 69% | 0.693 | S | S | * | * | -178.2 | 48.2 | 117.2 | 42.2 | 0 | 0 | 0 | 0 | 112.9 | H18 S19 | T16-H18 PolarHBondContact O-N 3.48Å; T16-S19 WeakPolarHBondContact CB-OG 3.33Å; T16-S19 VanDerWaalsContact CG2-OG 3.26Å; T16-S19 WeakPolarHBondContact CG2-OG 3.45Å | |||
| 17 | W | 38.8 | Very low | 41.1 | Very low | 246 Ų | 246 | 130 Ų | 130 | 93% | 0.932 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.5 | -25 | 167.1 | -77.8 | 96.6 | 0 | 0 | 0 | 112.4 | ||
| 18 | H | 42 | Very low | 41.6 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -78.2 | -31.3 | 178.3 | -110.9 | -80.1 | 0 | 0 | 0 | 114.4 | T16 V22 | T16-H18 PolarHBondContact O-N 3.48Å; H18-V22 VanDerWaalsContact O-CG2 3.3Å; H18-V22 WeakPolarHBondContact O-CG2 3.26Å; H18-V22 PolarHBondContact O-N 3.01Å |
| 19 | S | 47.8 | Very low | 42.1 | Very low | 48 Ų | 48 | 121 Ų | 121 | 34% | 0.336 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -85.2 | -23.4 | -178 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | T16 W21 I23 | T16-S19 WeakPolarHBondContact CB-OG 3.33Å; T16-S19 VanDerWaalsContact CG2-OG 3.26Å; T16-S19 WeakPolarHBondContact CG2-OG 3.45Å; S19-W21 VanDerWaalsContact C-N 3.35Å; S19-I23 WeakPolarHBondContact O-CB 3.21Å; S19-I23 WeakPolarHBondContact O-CD1 3.09Å; S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.06Å |
| 20 | A | 47.4 | Very low | 42.4 | Very low | 51 Ų | 51 | 117.4 Ų | 117.4 | 42% | 0.421 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.4 | -36.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N24 | A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.16Å; A20-N24 VanDerWaalsContact O-N 3.09Å; A20-N24 PolarHBondContact O-ND2 3.01Å |
| 21 | W | 38 | Very low | 42.7 | Very low | 186 Ų | 186 | 118 Ų | 118 | 71% | 0.705 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.4 | -50.3 | 173 | -156.2 | 61.7 | 0 | 0 | 0 | 110.4 | S19 I23 N24 T25 | S19-W21 VanDerWaalsContact C-N 3.35Å; W21-I23 PolarHBondContact O-N 3.37Å; W21-N24 CarbonylContact O-C 3.58Å; W21-N24 PolarHBondContact O-N 3.28Å; W21-T25 PolarHBondContact O-N 3.4Å; W21-T25 PolarHBondContact O-OG1 3.27Å |
| 22 | V | 48.7 | Very low | 43.4 | Very low | 84 Ų | 84 | 122.3 Ų | 122.3 | 51% | 0.509 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -62.3 | -37.6 | 179.7 | 172.6 | 0 | 0 | 0 | 0 | 113 | H18 T25 L26 | H18-V22 VanDerWaalsContact O-CG2 3.3Å; H18-V22 WeakPolarHBondContact O-CG2 3.26Å; H18-V22 PolarHBondContact O-N 3.01Å; V22-T25 PolarHBondContact O-N 3.32Å; V22-L26 WeakPolarHBondContact O-CB 3.4Å; V22-L26 PolarHBondContact O-N 3.21Å |
| 23 | I | 49.5 | Very low | 43.9 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.6 | -38.4 | 176.6 | -66.5 | 164.7 | 0 | 0 | 0 | 111.1 | S19 W21 L26 A27 | S19-I23 WeakPolarHBondContact O-CB 3.21Å; S19-I23 WeakPolarHBondContact O-CD1 3.09Å; S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.06Å; W21-I23 PolarHBondContact O-N 3.37Å; I23-L26 PolarHBondContact O-N 3.14Å; I23-A27 WeakPolarHBondContact O-CB 3.17Å; I23-A27 PolarHBondContact O-N 3.01Å |
| 24 | N | 46.8 | Very low | 44.4 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.8 | -34.5 | 173.7 | -79.9 | -31.6 | 0 | 0 | 0 | 112.4 | A20 W21 L26 D28 | A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.16Å; A20-N24 VanDerWaalsContact O-N 3.09Å; A20-N24 PolarHBondContact O-ND2 3.01Å; W21-N24 CarbonylContact O-C 3.58Å; W21-N24 PolarHBondContact O-N 3.28Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-D28 WeakPolarHBondContact O-CB 3.45Å; N24-D28 PolarHBondContact O-N 3.09Å |
| 25 | T | 45.2 | Very low | 44.7 | Very low | 46 Ų | 46 | 125.4 Ų | 125.4 | 28% | 0.282 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.2 | -33.7 | 174.8 | -24.1 | 0 | 0 | 0 | 0 | 111.2 | W21 V22 H29 | W21-T25 PolarHBondContact O-N 3.4Å; W21-T25 PolarHBondContact O-OG1 3.27Å; V22-T25 PolarHBondContact O-N 3.32Å; T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.89Å; T25-H29 PolarHBondContact O-ND1 3.44Å |
| 26 | L | 41.8 | Very low | 44.9 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.7 | -37.3 | 176.2 | -165.4 | 73.4 | 0 | 0 | 0 | 112.2 | V22 I23 N24 H29 H30 | V22-L26 WeakPolarHBondContact O-CB 3.4Å; V22-L26 PolarHBondContact O-N 3.21Å; I23-L26 PolarHBondContact O-N 3.14Å; N24-L26 VanDerWaalsContact C-N 3.35Å; L26-H29 PolarHBondContact O-N 3.3Å; L26-H30 PolarHBondContact O-CD2 2.89Å; L26-H30 PolarHBondContact O-N 3.12Å |
| 27 | A | 45.5 | Very low | 45.1 | Very low | 60 Ų | 60 | 124.2 Ų | 124.2 | 50% | 0.496 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.7 | -35.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I23 H29 | I23-A27 WeakPolarHBondContact O-CB 3.17Å; I23-A27 PolarHBondContact O-N 3.01Å; A27-H29 VanDerWaalsContact C-N 3.31Å |
| 28 | D | 43.8 | Very low | 45.2 | Very low | 119 Ų | 119 | 115 Ų | 115 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76 | -20.1 | 177.5 | -154.8 | 51.7 | 0 | 0 | 0 | 112.5 | N24 | N24-D28 WeakPolarHBondContact O-CB 3.45Å; N24-D28 PolarHBondContact O-N 3.09Å |
| 29 | H | 44.4 | Very low | 46 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -90.9 | -12.1 | 176.3 | -75.5 | 7.2 | 0 | 0 | 0 | 115 | T25 L26 A27 H31 | T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.89Å; T25-H29 PolarHBondContact O-ND1 3.44Å; L26-H29 PolarHBondContact O-N 3.3Å; A27-H29 VanDerWaalsContact C-N 3.31Å; H29-H31 VanDerWaalsContact C-N 3.27Å; H29-H31 PolarHBondContact O-N 2.92Å |
| 30 | H | 43.5 | Very low | 46.5 | Very low | 162 Ų | 162 | 113.8 Ų | 113.8 | 75% | 0.75 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 0.5 | 171.5 | -92 | -72.3 | 0 | 0 | 0 | 114.2 | L26 | L26-H30 PolarHBondContact O-CD2 2.89Å; L26-H30 PolarHBondContact O-N 3.12Å |
| 31 | H | 41.6 | Very low | 46.9 | Very low | 174 Ų | 174 | 120.3 Ų | 120.3 | 81% | 0.806 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 5.1 | 176.6 | -107 | -56.4 | 0 | 0 | 0 | 115.4 | H29 | H29-H31 VanDerWaalsContact C-N 3.27Å; H29-H31 PolarHBondContact O-N 2.92Å |
| 32 | R | 49.2 | Very low | 47.9 | Very low | 215 Ų | 215 | 116.1 Ų | 116.1 | 81% | 0.811 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -111.4 | 95.8 | 174.4 | -99.6 | -179.9 | 160.1 | 176.8 | -3.6 | 110.4 | ||
| 33 | G | 43.6 | Very low | 48.5 | Very low | 63 Ų | 63 | 118.8 Ų | 118.8 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | trans | 155.1 | 53.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 34 | T | 45.9 | Very low | 49.1 | Very low | 134 Ų | 134 | 117.2 Ų | 117.2 | 82% | 0.822 | 63% | 0.632 | S | S | * | * | trans | -148 | 53.6 | 140.6 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | F36 | T34-F36 PolarHBondContact O-N 3.44Š| ||
| 35 | D | 48.1 | Very low | 49.9 | Very low | 142 Ų | 142 | 116.3 Ų | 116.3 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | trans | -80.6 | 49.4 | 171.8 | -68.2 | -43 | 0 | 0 | 0 | 112.1 | ||||
| 36 | F | 46.4 | Very low | 50.7 | Low | 221 Ų | 221 | 119.6 Ų | 119.6 | 97% | 0.969 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -138.7 | 34.8 | 170.3 | -92.5 | -74.9 | 0 | 0 | 0 | 112.6 | T34 | T34-F36 PolarHBondContact O-N 3.44Š|
| 37 | G | 49 | Very low | 51.4 | Low | 42 Ų | 42 | 116.7 Ų | 116.7 | 43% | 0.433 | 63% | 0.632 | S | S | . | * | trans | -166.2 | 30.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 38 | G | 41.8 | Very low | 52 | Low | 52 Ų | 52 | 121 Ų | 121 | 54% | 0.536 | 64% | 0.64 | S | S | . | * | trans | -51.5 | 144.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P40 W41 | G38-P40 WeakPolarHBondContact O-CD 3.33Å; G38-W41 PolarHBondContact O-N 2.8Å; G38-W41 VanDerWaalsContact O-N 3.16Å | ||
| 39 | S | 58.1 | Low | 52.9 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.9 | -29.2 | -174.7 | -67 | 0 | 0 | 0 | 0 | 118.6 | W41 H43 | S39-W41 PolarHBondContact O-N 3.49Å; S39-H43 PolarHBondContact O-CD2 2.98Å; S39-H43 VanDerWaalsContact O-CD2 3.3Å; S39-H43 PolarHBondContact O-N 3.13Å |
| 40 | P | 57.9 | Low | 53.6 | Low | 92 Ų | 92 | 115.8 Ų | 115.8 | 60% | 0.597 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.8 | -38.1 | 176.9 | -26.7 | 36.5 | 0 | 0 | 0 | 115 | G38 H43 V44 | G38-P40 WeakPolarHBondContact O-CD 3.33Å; P40-H43 WeakPolarHBondContact O-CB 3.44Å; P40-H43 PolarHBondContact O-N 3.46Å; P40-V44 WeakPolarHBondContact O-CG2 3.47Å; P40-V44 PolarHBondContact O-N 3.04Å |
| 41 | W | 55.5 | Low | 54.8 | Low | 187 Ų | 187 | 111.2 Ų | 111.2 | 71% | 0.708 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.8 | -35.1 | -174.9 | -103.8 | 82.3 | 0 | 0 | 0 | 112.9 | G38 S39 V44 I45 | G38-W41 PolarHBondContact O-N 2.8Å; G38-W41 VanDerWaalsContact O-N 3.16Å; S39-W41 PolarHBondContact O-N 3.49Å; W41-V44 PolarHBondContact O-N 3.36Å; W41-I45 HydrophobicContact CE3-CD1 4.04Å; W41-I45 HydrophobicContact CE3-CG1 4.28Å; W41-I45 WeakPolarHBondContact O-CB 3.16Å; W41-I45 WeakPolarHBondContact O-CD1 3.48Å; W41-I45 WeakPolarHBondContact O-CG1 3.29Å; W41-I45 PolarHBondContact O-N 3.49Å |
| 42 | L | 60.4 | Low | 56.4 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 52% | 0.518 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67 | -37.9 | 173.2 | -73 | 170.8 | 0 | 0 | 0 | 111.7 | V44 I45 I46 | L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.11Å; L42-I45 PolarHBondContact O-N 3.27Å; L42-I46 WeakPolarHBondContact O-CB 3.28Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.23Å |
| 43 | H | 60.8 | Low | 57.7 | Low | 139 Ų | 139 | 103.6 Ų | 103.6 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.3 | -41.6 | 171 | -88.9 | -79.6 | 0 | 0 | 0 | 111.6 | S39 P40 I46 A47 | S39-H43 PolarHBondContact O-CD2 2.98Å; S39-H43 VanDerWaalsContact O-CD2 3.3Å; S39-H43 PolarHBondContact O-N 3.13Å; P40-H43 WeakPolarHBondContact O-CB 3.44Å; P40-H43 PolarHBondContact O-N 3.46Å; H43-I46 PolarHBondContact O-N 2.86Å; H43-A47 WeakPolarHBondContact O-CA 3.34Å; H43-A47 WeakPolarHBondContact O-CB 3.43Å; H43-A47 PolarHBondContact O-N 3.47Å |
| 44 | V | 62.4 | Low | 59.2 | Low | 81 Ų | 81 | 104.3 Ų | 104.3 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.2 | -46.1 | 174 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | P40 W41 L42 I46 A47 F48 | P40-V44 WeakPolarHBondContact O-CG2 3.47Å; P40-V44 PolarHBondContact O-N 3.04Å; W41-V44 PolarHBondContact O-N 3.36Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.11Å; V44-I46 VanDerWaalsContact C-N 3.29Å; V44-I46 PolarHBondContact O-N 3.3Å; V44-A47 PolarHBondContact O-N 3.43Å; V44-F48 WeakPolarHBondContact O-CB 3.18Å; V44-F48 PolarHBondContact O-N 3.48Å |
| 45 | I | 62.7 | Low | 60.8 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -28.6 | 179.8 | -67.3 | 161.6 | 0 | 0 | 0 | 112.6 | W41 L42 P49 | W41-I45 HydrophobicContact CE3-CD1 4.04Å; W41-I45 HydrophobicContact CE3-CG1 4.28Å; W41-I45 WeakPolarHBondContact O-CB 3.16Å; W41-I45 WeakPolarHBondContact O-CD1 3.48Å; W41-I45 WeakPolarHBondContact O-CG1 3.29Å; W41-I45 PolarHBondContact O-N 3.49Å; L42-I45 PolarHBondContact O-N 3.27Å; I45-P49 WeakPolarHBondContact O-CD 3.3Å; I45-P49 WeakPolarHBondContact O-CG 3.26Å |
| 46 | I | 61.5 | Low | 62.4 | Low | 115 Ų | 115 | 99.6 Ų | 99.6 | 59% | 0.59 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -92 | -37.6 | 177.9 | -63.9 | 167.4 | 0 | 0 | 0 | 112.1 | L42 H43 V44 P49 T50 | L42-I46 WeakPolarHBondContact O-CB 3.28Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.23Å; H43-I46 PolarHBondContact O-N 2.86Å; V44-I46 VanDerWaalsContact C-N 3.29Å; V44-I46 PolarHBondContact O-N 3.3Å; I46-P49 WeakPolarHBondContact O-CD 3.44Å; I46-T50 PolarHBondContact O-OG1 3.47Å; I46-T50 VanDerWaalsContact O-OG1 3.06Å |
| 47 | A | 58.1 | Low | 64 | Low | 47 Ų | 47 | 93 Ų | 93 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.9 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H43 V44 T50 S51 | H43-A47 WeakPolarHBondContact O-CA 3.34Å; H43-A47 WeakPolarHBondContact O-CB 3.43Å; H43-A47 PolarHBondContact O-N 3.47Å; V44-A47 PolarHBondContact O-N 3.43Å; A47-T50 PolarHBondContact O-N 3.31Å; A47-T50 VanDerWaalsContact O-N 3.12Å; A47-S51 WeakPolarHBondContact O-CB 3.43Å; A47-S51 PolarHBondContact O-N 3.42Å; A47-S51 PolarHBondContact O-OG 3Å; A47-S51 VanDerWaalsContact O-OG 3.06Å |
| 48 | F | 57.7 | Low | 65.6 | Low | 150 Ų | 150 | 96.4 Ų | 96.4 | 66% | 0.658 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | -178.9 | -158.4 | -90.3 | 0 | 0 | 0 | 112.3 | V44 T50 S51 Y52 | V44-F48 WeakPolarHBondContact O-CB 3.18Å; V44-F48 PolarHBondContact O-N 3.48Å; F48-T50 PolarHBondContact O-N 2.92Å; F48-S51 PolarHBondContact O-N 3.48Å; F48-Y52 WeakPolarHBondContact O-CD1 3.29Å; F48-Y52 PolarHBondContact O-N 2.96Å |
| 49 | P | 62 | Low | 67.6 | Low | 45 Ų | 45 | 102 Ų | 102 | 29% | 0.292 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 170.6 | -30.4 | 36.1 | 0 | 0 | 0 | 115.8 | I45 I46 Y52 K53 | I45-P49 WeakPolarHBondContact O-CD 3.3Å; I45-P49 WeakPolarHBondContact O-CG 3.26Å; I46-P49 WeakPolarHBondContact O-CD 3.44Å; P49-Y52 HydrophobicContact CB-CD1 4.26Å; P49-Y52 HydrophobicContact CB-CE1 3.76Å; P49-Y52 HydrophobicContact CG-CE1 4.46Å; P49-Y52 VanDerWaalsContact O-CD1 3.23Å; P49-Y52 WeakPolarHBondContact O-CD1 3.47Å; P49-Y52 VanDerWaalsContact O-CE1 3.27Å; P49-Y52 WeakPolarHBondContact O-CE1 3.3Å; P49-K53 VanDerWaalsContact O-CG 3.27Å; P49-K53 WeakPolarHBondContact O-CG 3.19Å; P49-K53 PolarHBondContact O-N 3.37Å |
| 50 | T | 60.4 | Low | 69.1 | Low | 87 Ų | 87 | 101.6 Ų | 101.6 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.1 | -42.8 | -176.6 | -52 | 0 | 0 | 0 | 0 | 109.7 | I46 A47 F48 K53 V54 | I46-T50 PolarHBondContact O-OG1 3.47Å; I46-T50 VanDerWaalsContact O-OG1 3.06Å; A47-T50 PolarHBondContact O-N 3.31Å; A47-T50 VanDerWaalsContact O-N 3.12Å; F48-T50 PolarHBondContact O-N 2.92Å; T50-K53 PolarHBondContact O-N 3.28Å; T50-V54 VanDerWaalsContact O-CG2 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.06Å; T50-V54 VanDerWaalsContact O-N 3.11Å |
| 51 | S | 67.7 | Low | 70.5 | Confident | 67 Ų | 67 | 101.1 Ų | 101.1 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 176.2 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | A47 F48 K53 V54 V55 | A47-S51 WeakPolarHBondContact O-CB 3.43Å; A47-S51 PolarHBondContact O-N 3.42Å; A47-S51 PolarHBondContact O-OG 3Å; A47-S51 VanDerWaalsContact O-OG 3.06Å; F48-S51 PolarHBondContact O-N 3.48Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 2.97Å; S51-V54 PolarHBondContact O-N 2.85Å; S51-V55 VanDerWaalsContact O-CG2 3.32Å; S51-V55 WeakPolarHBondContact O-CG2 3.35Å; S51-V55 PolarHBondContact O-N 3.44Å |
| 52 | Y | 75.6 | Confident | 72 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 178.4 | 87.9 | -114.3 | 0 | 0 | 0 | 111.2 | F48 P49 V54 V55 I56 | F48-Y52 WeakPolarHBondContact O-CD1 3.29Å; F48-Y52 PolarHBondContact O-N 2.96Å; P49-Y52 HydrophobicContact CB-CD1 4.26Å; P49-Y52 HydrophobicContact CB-CE1 3.76Å; P49-Y52 HydrophobicContact CG-CE1 4.46Å; P49-Y52 VanDerWaalsContact O-CD1 3.23Å; P49-Y52 WeakPolarHBondContact O-CD1 3.47Å; P49-Y52 VanDerWaalsContact O-CE1 3.27Å; P49-Y52 WeakPolarHBondContact O-CE1 3.3Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 3.35Å; Y52-V55 PolarHBondContact O-N 2.83Å; Y52-I56 HydrophobicContact CD2-CD1 3.62Å; Y52-I56 HydrophobicContact CD2-CG1 4.44Å; Y52-I56 HydrophobicContact CE2-CD1 4.18Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.24Å; Y52-I56 WeakPolarHBondContact O-CG1 3.21Å; Y52-I56 PolarHBondContact O-N 3.5Å |
| 53 | K | 75.9 | Confident | 73.2 | Confident | 120 Ų | 120 | 99.6 Ų | 99.6 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 178.2 | -76.4 | 178.9 | -177.1 | 176.7 | 0 | 111.1 | P49 T50 S51 T57 | P49-K53 VanDerWaalsContact O-CG 3.27Å; P49-K53 WeakPolarHBondContact O-CG 3.19Å; P49-K53 PolarHBondContact O-N 3.37Å; T50-K53 PolarHBondContact O-N 3.28Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 2.97Å; K53-T57 VanDerWaalsContact O-CB 3.28Å; K53-T57 WeakPolarHBondContact O-CB 3.31Å; K53-T57 PolarHBondContact O-N 3.04Å; K53-T57 PolarHBondContact O-OG1 2.96Å |
| 54 | V | 75.3 | Confident | 74.4 | Confident | 78 Ų | 78 | 100.9 Ų | 100.9 | 47% | 0.473 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 176.2 | 173 | 0 | 0 | 0 | 0 | 110.6 | T50 S51 Y52 T57 L58 | T50-V54 VanDerWaalsContact O-CG2 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.06Å; T50-V54 VanDerWaalsContact O-N 3.11Å; S51-V54 PolarHBondContact O-N 2.85Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 3.35Å; V54-T57 PolarHBondContact O-N 3.2Å; V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.39Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.33Å; V54-L58 PolarHBondContact O-N 3.14Å |
| 55 | V | 78.8 | Confident | 75.4 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | S51 Y52 T57 L58 W59 | S51-V55 VanDerWaalsContact O-CG2 3.32Å; S51-V55 WeakPolarHBondContact O-CG2 3.35Å; S51-V55 PolarHBondContact O-N 3.44Å; Y52-V55 PolarHBondContact O-N 2.83Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.42Å; V55-L58 PolarHBondContact O-N 3.43Å; V55-W59 WeakPolarHBondContact O-CB 3.21Å; V55-W59 PolarHBondContact O-N 2.95Å |
| 56 | I | 82.9 | Confident | 76.2 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 43% | 0.431 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176.4 | -68.9 | 177.7 | 0 | 0 | 0 | 110.5 | Y52 W59 I60 | Y52-I56 HydrophobicContact CD2-CD1 3.62Å; Y52-I56 HydrophobicContact CD2-CG1 4.44Å; Y52-I56 HydrophobicContact CE2-CD1 4.18Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.24Å; Y52-I56 WeakPolarHBondContact O-CG1 3.21Å; Y52-I56 PolarHBondContact O-N 3.5Å; I56-W59 PolarHBondContact O-N 2.8Å; I56-I60 HydrophobicContact CG2-CD1 3.69Å; I56-I60 HydrophobicContact CG2-CG1 4.34Å; I56-I60 WeakPolarHBondContact O-CB 3.31Å; I56-I60 VanDerWaalsContact O-CG1 3.23Å; I56-I60 WeakPolarHBondContact O-CG1 3.26Å; I56-I60 PolarHBondContact O-N 2.9Å |
| 57 | T | 79.9 | Confident | 77 | Confident | 82 Ų | 82 | 97.5 Ų | 97.5 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 111 | K53 V54 V55 W59 I60 V61 | K53-T57 VanDerWaalsContact O-CB 3.28Å; K53-T57 WeakPolarHBondContact O-CB 3.31Å; K53-T57 PolarHBondContact O-N 3.04Å; K53-T57 PolarHBondContact O-OG1 2.96Å; V54-T57 PolarHBondContact O-N 3.2Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.42Å; T57-W59 VanDerWaalsContact C-N 3.35Å; T57-W59 PolarHBondContact O-N 3.47Å; T57-I60 PolarHBondContact O-N 2.92Å; T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 3.39Å |
| 58 | L | 82.1 | Confident | 78 | Confident | 113 Ų | 113 | 100.3 Ų | 100.3 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 175.6 | -73 | 171.9 | 0 | 0 | 0 | 111.7 | V54 V55 V61 Y62 | V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.39Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.33Å; V54-L58 PolarHBondContact O-N 3.14Å; V55-L58 PolarHBondContact O-N 3.43Å; L58-V61 PolarHBondContact O-N 2.89Å; L58-Y62 VanDerWaalsContact O-CB 3.24Å; L58-Y62 WeakPolarHBondContact O-CB 3.38Å; L58-Y62 PolarHBondContact O-N 3.28Å |
| 59 | W | 84.3 | Confident | 78.8 | Confident | 169 Ų | 169 | 100.4 Ų | 100.4 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 177 | -172.9 | 59.7 | 0 | 0 | 0 | 112.1 | V55 I56 T57 Y62 L63 | V55-W59 WeakPolarHBondContact O-CB 3.21Å; V55-W59 PolarHBondContact O-N 2.95Å; I56-W59 PolarHBondContact O-N 2.8Å; T57-W59 VanDerWaalsContact C-N 3.35Å; T57-W59 PolarHBondContact O-N 3.47Å; W59-Y62 PolarHBondContact O-N 3.5Å; W59-L63 VanDerWaalsContact O-CB 3.31Å; W59-L63 WeakPolarHBondContact O-CB 3.24Å; W59-L63 PolarHBondContact O-N 2.85Å |
| 60 | I | 88.4 | Confident | 79.1 | Confident | 81 Ų | 81 | 102.7 Ų | 102.7 | 42% | 0.415 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.8 | -69.5 | 167.5 | 0 | 0 | 0 | 110.7 | I56 T57 Y62 L63 W64 | I56-I60 HydrophobicContact CG2-CD1 3.69Å; I56-I60 HydrophobicContact CG2-CG1 4.34Å; I56-I60 WeakPolarHBondContact O-CB 3.31Å; I56-I60 VanDerWaalsContact O-CG1 3.23Å; I56-I60 WeakPolarHBondContact O-CG1 3.26Å; I56-I60 PolarHBondContact O-N 2.9Å; T57-I60 PolarHBondContact O-N 2.92Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 2.92Å; I60-L63 PolarHBondContact O-N 3.36Å; I60-W64 WeakPolarHBondContact O-CB 3.32Å; I60-W64 PolarHBondContact O-N 3.28Å |
| 61 | V | 88.6 | Confident | 79.6 | Confident | 81 Ų | 81 | 102.8 Ų | 102.8 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | T57 L58 W64 V65 | T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 3.39Å; L58-V61 PolarHBondContact O-N 2.89Å; V61-W64 PolarHBondContact O-N 3.47Å; V61-V65 HydrophobicContact CG1-CG2 4.33Å; V61-V65 WeakPolarHBondContact O-CB 3.23Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 2.92Å |
| 62 | Y | 86.3 | Confident | 79.2 | Confident | 159 Ų | 159 | 105 Ų | 105 | 62% | 0.624 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 177.1 | -179 | -99.2 | 0 | 0 | 0 | 112.4 | L58 W59 I60 W64 V65 S66 | L58-Y62 VanDerWaalsContact O-CB 3.24Å; L58-Y62 WeakPolarHBondContact O-CB 3.38Å; L58-Y62 PolarHBondContact O-N 3.28Å; W59-Y62 PolarHBondContact O-N 3.5Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 2.92Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-V65 PolarHBondContact O-N 3.5Å; Y62-S66 VanDerWaalsContact O-CB 3.26Å; Y62-S66 WeakPolarHBondContact O-CB 3.4Å; Y62-S66 PolarHBondContact O-N 3Å; Y62-S66 PolarHBondContact O-OG 2.88Å |
| 63 | L | 86.4 | Confident | 78.1 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.9 | -170.6 | 70 | 0 | 0 | 0 | 111 | W59 I60 S66 L67 | W59-L63 VanDerWaalsContact O-CB 3.31Å; W59-L63 WeakPolarHBondContact O-CB 3.24Å; W59-L63 PolarHBondContact O-N 2.85Å; I60-L63 PolarHBondContact O-N 3.36Å; L63-S66 PolarHBondContact O-N 3.38Å; L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.9Å |
| 64 | W | 85.1 | Confident | 77 | Confident | 166 Ų | 166 | 108.1 Ų | 108.1 | 63% | 0.629 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 176.1 | -96 | 85.7 | 0 | 0 | 0 | 112.6 | I60 V61 Y62 S66 L67 L68 | I60-W64 WeakPolarHBondContact O-CB 3.32Å; I60-W64 PolarHBondContact O-N 3.28Å; V61-W64 PolarHBondContact O-N 3.47Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; W64-S66 VanDerWaalsContact C-N 3.34Å; W64-L67 PolarHBondContact O-N 3.42Å; W64-L68 WeakPolarHBondContact O-CB 3.38Å; W64-L68 PolarHBondContact O-N 2.83Å |
| 65 | V | 82.8 | Confident | 75.8 | Confident | 86 Ų | 86 | 111.4 Ų | 111.4 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V61 Y62 L68 K69 | V61-V65 HydrophobicContact CG1-CG2 4.33Å; V61-V65 WeakPolarHBondContact O-CB 3.23Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 2.92Å; Y62-V65 PolarHBondContact O-N 3.5Å; V65-L68 PolarHBondContact O-N 2.85Å; V65-K69 WeakPolarHBondContact O-CB 3.4Å; V65-K69 PolarHBondContact O-N 2.79Å |
| 66 | S | 80.4 | Confident | 74.4 | Confident | 42 Ų | 42 | 111.8 Ų | 111.8 | 29% | 0.294 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.5 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | Y62 L63 W64 K69 T70 | Y62-S66 VanDerWaalsContact O-CB 3.26Å; Y62-S66 WeakPolarHBondContact O-CB 3.4Å; Y62-S66 PolarHBondContact O-N 3Å; Y62-S66 PolarHBondContact O-OG 2.88Å; L63-S66 PolarHBondContact O-N 3.38Å; W64-S66 VanDerWaalsContact C-N 3.34Å; S66-K69 PolarHBondContact O-N 2.86Å; S66-T70 WeakPolarHBondContact O-CG2 3.5Å; S66-T70 PolarHBondContact O-N 2.89Å; S66-T70 PolarHBondContact O-OG1 2.82Å |
| 67 | L | 78.3 | Confident | 72.8 | Confident | 93 Ų | 93 | 110.7 Ų | 110.7 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 175.9 | -169.5 | 119 | 0 | 0 | 0 | 112.3 | L63 W64 K69 T70 I71 | L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.9Å; W64-L67 PolarHBondContact O-N 3.42Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 3.4Å; L67-T70 WeakPolarHBondContact CA-OG1 3.45Å; L67-T70 PolarHBondContact O-OG1 3.31Å; L67-I71 HydrophobicContact CD2-CD1 3.66Å; L67-I71 HydrophobicContact CG-CD1 4.07Å; L67-I71 WeakPolarHBondContact O-CB 3.48Å; L67-I71 WeakPolarHBondContact O-CD1 3.42Å; L67-I71 WeakPolarHBondContact O-CG1 3.29Å; L67-I71 PolarHBondContact O-N 2.84Å |
| 68 | L | 79.9 | Confident | 71.4 | Confident | 105 Ų | 105 | 112.6 Ų | 112.6 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.1 | -40.2 | 175.4 | -139 | 84 | 0 | 0 | 0 | 110.6 | W64 V65 I71 F72 | W64-L68 WeakPolarHBondContact O-CB 3.38Å; W64-L68 PolarHBondContact O-N 2.83Å; V65-L68 PolarHBondContact O-N 2.85Å; L68-I71 PolarHBondContact O-N 3.41Å; L68-F72 VanDerWaalsContact O-CB 3.26Å; L68-F72 WeakPolarHBondContact O-CB 3.28Å; L68-F72 PolarHBondContact O-N 3.35Å |
| 69 | K | 72.9 | Confident | 69.8 | Low | 152 Ų | 152 | 112.6 Ų | 112.6 | 66% | 0.661 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.4 | -43.3 | 179.1 | -174 | 158.9 | 176.6 | 161.3 | 0 | 111.2 | V65 S66 L67 F72 W73 | V65-K69 WeakPolarHBondContact O-CB 3.4Å; V65-K69 PolarHBondContact O-N 2.79Å; S66-K69 PolarHBondContact O-N 2.86Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 3.4Å; K69-F72 PolarHBondContact O-N 2.92Å; K69-W73 VanDerWaalsContact O-CB 3.3Å; K69-W73 WeakPolarHBondContact O-CB 3.42Å; K69-W73 PolarHBondContact O-N 3.41Å |
| 70 | T | 70.1 | Confident | 68.3 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 174.8 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | S66 L67 S74 | S66-T70 WeakPolarHBondContact O-CG2 3.5Å; S66-T70 PolarHBondContact O-N 2.89Å; S66-T70 PolarHBondContact O-OG1 2.82Å; L67-T70 WeakPolarHBondContact CA-OG1 3.45Å; L67-T70 PolarHBondContact O-OG1 3.31Å; T70-S74 WeakPolarHBondContact O-CB 3.2Å; T70-S74 PolarHBondContact O-N 3.43Å |
| 71 | I | 70.4 | Confident | 66.5 | Low | 90 Ų | 90 | 106.5 Ų | 106.5 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 176.3 | -67.1 | 167.1 | 0 | 0 | 0 | 111.7 | L67 L68 S74 R75 | L67-I71 HydrophobicContact CD2-CD1 3.66Å; L67-I71 HydrophobicContact CG-CD1 4.07Å; L67-I71 WeakPolarHBondContact O-CB 3.48Å; L67-I71 WeakPolarHBondContact O-CD1 3.42Å; L67-I71 WeakPolarHBondContact O-CG1 3.29Å; L67-I71 PolarHBondContact O-N 2.84Å; L68-I71 PolarHBondContact O-N 3.41Å; I71-S74 PolarHBondContact O-N 2.91Å; I71-R75 PolarHBondContact O-N 3.31Å |
| 72 | F | 59.8 | Low | 64.9 | Low | 113 Ų | 113 | 106.2 Ų | 106.2 | 50% | 0.496 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -73.5 | -35 | -177.9 | -154.9 | -98.5 | 0 | 0 | 0 | 112 | L68 K69 S74 R75 N76 | L68-F72 VanDerWaalsContact O-CB 3.26Å; L68-F72 WeakPolarHBondContact O-CB 3.28Å; L68-F72 PolarHBondContact O-N 3.35Å; K69-F72 PolarHBondContact O-N 2.92Å; F72-S74 VanDerWaalsContact C-N 3.35Å; F72-R75 PolarHBondContact O-N 3.49Å; F72-R75 VanDerWaalsContact O-N 3.14Å; F72-N76 VanDerWaalsContact CE1-ND2 3.3Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.01Å; F72-N76 PolarHBondContact O-N 3.23Å |
| 73 | W | 52.5 | Low | 63.5 | Low | 216 Ų | 216 | 102.7 Ų | 102.7 | 82% | 0.818 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.1 | -37 | 172.7 | -140 | 40.7 | 0 | 0 | 0 | 111.7 | K69 R75 N76 G77 | K69-W73 VanDerWaalsContact O-CB 3.3Å; K69-W73 WeakPolarHBondContact O-CB 3.42Å; K69-W73 PolarHBondContact O-N 3.41Å; W73-R75 PolarHBondContact O-N 3.26Å; W73-N76 PolarHBondContact O-N 2.95Å; W73-G77 PolarHBondContact O-N 3.22Å |
| 74 | S | 52.8 | Low | 62.1 | Low | 79 Ų | 79 | 102.8 Ų | 102.8 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -23.8 | 171.1 | 126 | 0 | 0 | 0 | 0 | 113.4 | T70 I71 F72 | T70-S74 WeakPolarHBondContact O-CB 3.2Å; T70-S74 PolarHBondContact O-N 3.43Å; I71-S74 PolarHBondContact O-N 2.91Å; F72-S74 VanDerWaalsContact C-N 3.35Å |
| 75 | R | 49.7 | Very low | 60.6 | Low | 146 Ų | 146 | 101.7 Ų | 101.7 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -89.1 | -40.3 | 178.8 | -164.7 | 146.2 | 74.5 | 171.6 | 7.8 | 112.4 | I71 F72 W73 G77 H78 | I71-R75 PolarHBondContact O-N 3.31Å; F72-R75 PolarHBondContact O-N 3.49Å; F72-R75 VanDerWaalsContact O-N 3.14Å; W73-R75 PolarHBondContact O-N 3.26Å; R75-G77 VanDerWaalsContact C-N 3.33Å; R75-G77 PolarHBondContact O-N 2.91Å; R75-H78 PolarHBondContact O-N 3.49Å |
| 76 | N | 48.9 | Very low | 59.3 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.5 | -19.4 | -179.2 | -76.3 | 8.5 | 0 | 0 | 0 | 114.1 | F72 W73 | F72-N76 VanDerWaalsContact CE1-ND2 3.3Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.01Å; F72-N76 PolarHBondContact O-N 3.23Å; W73-N76 PolarHBondContact O-N 2.95Å |
| 77 | G | 49.5 | Very low | 58.3 | Low | 60 Ų | 60 | 109.3 Ų | 109.3 | 62% | 0.619 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -11 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | W73 R75 | W73-G77 PolarHBondContact O-N 3.22Å; R75-G77 VanDerWaalsContact C-N 3.33Å; R75-G77 PolarHBondContact O-N 2.91Å |
| 78 | H | 50.3 | Low | 57.2 | Low | 123 Ų | 123 | 107.2 Ų | 107.2 | 57% | 0.569 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -9.2 | -171.8 | -93.6 | -33.2 | 0 | 0 | 0 | 115.6 | R75 T82 | R75-H78 PolarHBondContact O-N 3.49Å; H78-T82 PolarHBondContact O-OG1 3.31Å |
| 79 | D | 48.4 | Very low | 56 | Low | 113 Ų | 113 | 109.6 Ų | 109.6 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -81.4 | -18.4 | -173.5 | -74.3 | -16.9 | 0 | 0 | 0 | 113.8 | ||
| 80 | G | 52.1 | Low | 55.1 | Low | 54 Ų | 54 | 110.5 Ų | 110.5 | 56% | 0.557 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -85.1 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V84 | G80-V84 WeakPolarHBondContact O-CG2 3.27Å |
| 81 | S | 51.9 | Low | 54.4 | Low | 68 Ų | 68 | 109.5 Ų | 109.5 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -82.7 | -30.5 | -173.2 | 168.9 | 0 | 0 | 0 | 0 | 113.2 | Q85 | S81-Q85 WeakPolarHBondContact O-CB 3.35Å; S81-Q85 WeakPolarHBondContact O-CG 3.06Å; S81-Q85 PolarHBondContact O-N 3.34Å; S81-Q85 VanDerWaalsContact O-N 3.12Å |
| 82 | T | 54.3 | Low | 53.8 | Low | 74 Ų | 74 | 110 Ų | 110 | 45% | 0.454 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.8 | -35.6 | -178.3 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | H78 Q86 | H78-T82 PolarHBondContact O-OG1 3.31Å; T82-Q86 WeakPolarHBondContact O-CB 3.26Å; T82-Q86 PolarHBondContact O-N 2.85Å |
| 83 | D | 57.2 | Low | 53.5 | Low | 85 Ų | 85 | 110.9 Ų | 110.9 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.6 | -42.1 | 175.9 | -170.3 | 64.9 | 0 | 0 | 0 | 112 | Q86 R87 | D83-Q86 PolarHBondContact O-N 2.85Å; D83-R87 WeakPolarHBondContact O-CB 3.5Å; D83-R87 PolarHBondContact O-N 3.36Å; D83-R87 IonicContact OD2-CZ 3.84Å; D83-R87 IonicContact OD2-NH2 3.88Å |
| 84 | V | 56.5 | Low | 53.6 | Low | 99 Ų | 99 | 110.6 Ų | 110.6 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.6 | -44.3 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | G80 Q86 R87 A88 | G80-V84 WeakPolarHBondContact O-CG2 3.27Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 2.92Å; V84-R87 PolarHBondContact O-N 3.46Å; V84-A88 WeakPolarHBondContact O-CB 3Å; V84-A88 PolarHBondContact O-N 3.26Å |
| 85 | Q | 53.8 | Low | 53.5 | Low | 143 Ų | 143 | 116.6 Ų | 116.6 | 67% | 0.668 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -39.4 | 175.7 | -72.5 | -105.6 | -42.6 | 0 | 0 | 111.7 | S81 W89 | S81-Q85 WeakPolarHBondContact O-CB 3.35Å; S81-Q85 WeakPolarHBondContact O-CG 3.06Å; S81-Q85 PolarHBondContact O-N 3.34Å; S81-Q85 VanDerWaalsContact O-N 3.12Å; Q85-W89 VanDerWaalsContact O-CB 3.26Å; Q85-W89 WeakPolarHBondContact O-CB 3.4Å; Q85-W89 PolarHBondContact O-N 2.96Å |
| 86 | Q | 56.3 | Low | 53.4 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.5 | -32.7 | 179.9 | -167.7 | 150.9 | -43 | 0 | 0 | 112.6 | T82 D83 V84 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.26Å; T82-Q86 PolarHBondContact O-N 2.85Å; D83-Q86 PolarHBondContact O-N 2.85Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 2.92Å; Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.39Å |
| 87 | R | 58.9 | Low | 53.5 | Low | 178 Ų | 178 | 116.4 Ų | 116.4 | 67% | 0.672 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.3 | -41 | 172.6 | -169.7 | 176 | -83 | 173.1 | -3.5 | 111.4 | D83 V84 R90 S91 | D83-R87 WeakPolarHBondContact O-CB 3.5Å; D83-R87 PolarHBondContact O-N 3.36Å; D83-R87 IonicContact OD2-CZ 3.84Å; D83-R87 IonicContact OD2-NH2 3.88Å; V84-R87 PolarHBondContact O-N 3.46Å; R87-R90 PolarHBondContact O-N 3.49Å; R87-S91 PolarHBondContact O-N 2.93Å; R87-S91 VanDerWaalsContact O-N 3.13Å |
| 88 | A | 55.3 | Low | 53.7 | Low | 50 Ų | 50 | 116.8 Ų | 116.8 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.7 | -35.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V84 S91 N92 | V84-A88 WeakPolarHBondContact O-CB 3Å; V84-A88 PolarHBondContact O-N 3.26Å; A88-S91 PolarHBondContact O-OG 3.32Å; A88-N92 PolarHBondContact O-N 2.82Å; A88-N92 VanDerWaalsContact O-N 3.14Å |
| 89 | W | 54.3 | Low | 53.4 | Low | 154 Ų | 154 | 117.6 Ų | 117.6 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.6 | -39.1 | 176 | -169.6 | 80.6 | 0 | 0 | 0 | 112.4 | Q85 R93 | Q85-W89 VanDerWaalsContact O-CB 3.26Å; Q85-W89 WeakPolarHBondContact O-CB 3.4Å; Q85-W89 PolarHBondContact O-N 2.96Å; W89-R93 WeakPolarHBondContact O-CB 3.27Å; W89-R93 PolarHBondContact O-N 2.89Å; W89-R93 VanDerWaalsContact O-N 3.09Å |
| 90 | R | 54.5 | Low | 53.3 | Low | 171 Ų | 171 | 121.6 Ų | 121.6 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -34.2 | 174.7 | -80.2 | -173.8 | 178.9 | 160.1 | 0 | 113 | Q86 R87 | Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.39Å; R87-R90 PolarHBondContact O-N 3.49Å |
| 91 | S | 55.4 | Low | 53 | Low | 73 Ų | 73 | 124.1 Ų | 124.1 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.5 | -38.4 | 177.2 | 70.3 | 0 | 0 | 0 | 0 | 112.5 | R87 A88 R95 | R87-S91 PolarHBondContact O-N 2.93Å; R87-S91 VanDerWaalsContact O-N 3.13Å; A88-S91 PolarHBondContact O-OG 3.32Å; S91-R95 PolarHBondContact O-N 3.48Å |
| 92 | N | 57 | Low | 52.9 | Low | 100 Ų | 100 | 127.8 Ų | 127.8 | 54% | 0.535 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.1 | -29.8 | 176.5 | -99.6 | -30 | 0 | 0 | 0 | 113.4 | A88 R95 Q96 | A88-N92 PolarHBondContact O-N 2.82Å; A88-N92 VanDerWaalsContact O-N 3.14Å; N92-R95 PolarHBondContact O-N 3.31Å; N92-Q96 PolarHBondContact O-N 2.9Å |
| 93 | R | 53.2 | Low | 52.4 | Low | 131 Ų | 131 | 129 Ų | 129 | 49% | 0.494 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.3 | -40.2 | 177.6 | -166.4 | 167.5 | -174 | 170.9 | 1.6 | 112.5 | W89 Q96 E97 | W89-R93 WeakPolarHBondContact O-CB 3.27Å; W89-R93 PolarHBondContact O-N 2.89Å; W89-R93 VanDerWaalsContact O-N 3.09Å; R93-Q96 PolarHBondContact O-N 3Å; R93-E97 PolarHBondContact O-N 3.5Å |
| 94 | R | 55.6 | Low | 51.9 | Low | 211 Ų | 211 | 133.3 Ų | 133.3 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.9 | -31.5 | 174.5 | -72.3 | -170 | -177.3 | -174 | 0.9 | 113.2 | ||
| 95 | R | 50.4 | Low | 51.1 | Low | 205 Ų | 205 | 136.7 Ų | 136.7 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -74.9 | -31.6 | 174.7 | -104.1 | -169.8 | -176.8 | -167.7 | 1.6 | 113.5 | S91 N92 | S91-R95 PolarHBondContact O-N 3.48Å; N92-R95 PolarHBondContact O-N 3.31Å |
| 96 | Q | 47.1 | Very low | 50.9 | Low | 122 Ų | 122 | 136.1 Ų | 136.1 | 57% | 0.57 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.1 | -20.1 | 178.7 | -78.6 | -150.7 | -9 | 0 | 0 | 114.4 | N92 R93 G98 L99 R100 | N92-Q96 PolarHBondContact O-N 2.9Å; R93-Q96 PolarHBondContact O-N 3Å; Q96-G98 PolarHBondContact O-N 3.45Å; Q96-L99 PolarHBondContact O-N 3.12Å; Q96-L99 VanDerWaalsContact O-N 3.16Å; Q96-R100 WeakPolarHBondContact O-CG 3.23Å; Q96-R100 PolarHBondContact O-N 2.94Å |
| 97 | E | 51.5 | Low | 50 | Low | 121 Ų | 121 | 140.2 Ų | 140.2 | 57% | 0.565 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -20.1 | 174 | -78.5 | 163.1 | -175.5 | 0 | 0 | 112.4 | R93 | R93-E97 PolarHBondContact O-N 3.5Š|
| 98 | G | 53.3 | Low | 49.4 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -8.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q96 | Q96-G98 PolarHBondContact O-N 3.45Š|
| 99 | L | 45.2 | Very low | 48.7 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -118 | 13 | -176.5 | -79.7 | 169.1 | 0 | 0 | 0 | 113.2 | Q96 S101 | Q96-L99 PolarHBondContact O-N 3.12Å; Q96-L99 VanDerWaalsContact O-N 3.16Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.5Å |
| 100 | R | 45.4 | Very low | 48 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 15.1 | -173.1 | -104.5 | -179 | -178.6 | -150.7 | -1.3 | 115.7 | Q96 | Q96-R100 WeakPolarHBondContact O-CG 3.23Å; Q96-R100 PolarHBondContact O-N 2.94Å |
| 101 | S | 46.3 | Very low | 47.7 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -3.2 | 175.1 | 59.3 | 0 | 0 | 0 | 0 | 115 | L99 | L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.5Å |
| 102 | I | 49.7 | Very low | 47.4 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -131.9 | 114.3 | -176.8 | -54.7 | 179.5 | 0 | 0 | 0 | 112.5 | ||
| 103 | C | 42.4 | Very low | 46.9 | Very low | 100 Ų | 100 | 151.5 Ų | 151.5 | 68% | 0.676 | 75% | 0.745 | S | S | * | * | trans | 90.8 | 107.8 | 151.1 | -161 | 0 | 0 | 0 | 0 | 118.7 | H105 | C103-H105 PolarHBondContact SG-CD2 3.06Š| ||
| 104 | M | 48.6 | Very low | 46.6 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -73.5 | 133.4 | 154.7 | -74.5 | -140.2 | 94.5 | 0 | 0 | 109.9 | ||||
| 105 | H | 37.8 | Very low | 46.2 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | -138.3 | 129.3 | 147.1 | -91.8 | -69.1 | 0 | 0 | 0 | 110.8 | C103 K107 | C103-H105 PolarHBondContact SG-CD2 3.06Å; H105-K107 PolarHBondContact O-N 2.85Å | ||
| 106 | T | 51.4 | Low | 46.5 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -63.5 | 109.4 | 179.4 | 38.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 107 | K | 36.6 | Very low | 46.9 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -112.5 | 99.2 | 156.7 | -94.9 | -179.1 | 176.7 | 176.3 | 0 | 109.3 | H105 R109 | H105-K107 PolarHBondContact O-N 2.85Å; K107-R109 PolarHBondContact O-N 3.23Å | ||
| 108 | K | 45.4 | Very low | 47.3 | Very low | 209 Ų | 209 | 146.8 Ų | 146.8 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -53.2 | 107.1 | 162 | -84.2 | -176.6 | 175.6 | 177 | 0 | 107.9 | ||||
| 109 | R | 42 | Very low | 47.5 | Very low | 227 Ų | 227 | 148 Ų | 148 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | -90.6 | 108.2 | 162.4 | -72.5 | -169.7 | 179 | -168.1 | -0.1 | 107.3 | K107 S111 | K107-R109 PolarHBondContact O-N 3.23Å; R109-S111 PolarHBondContact O-N 3.4Å | ||
| 110 | V | 39.6 | Very low | 48.6 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -61.4 | 105.5 | 165.1 | 176.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 111 | S | 46.8 | Very low | 49.7 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -101.1 | 76.7 | 178.8 | 56.5 | 0 | 0 | 0 | 0 | 110 | R109 | R109-S111 PolarHBondContact O-N 3.4Š| ||
| 112 | S | 50 | Low | 51 | Low | 85 Ų | 85 | 142.8 Ų | 142.8 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | trans | -113.2 | 78.1 | 175 | 59 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 113 | F | 45.9 | Very low | 52.1 | Low | 201 Ų | 201 | 140 Ų | 140 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | trans | -139.5 | 77.4 | 143.9 | -93.5 | -77.8 | 0 | 0 | 0 | 108.8 | G115 | F113-G115 VanDerWaalsContact C-N 3.32Š| ||
| 114 | R | 48.3 | Very low | 53.8 | Low | 239 Ų | 239 | 138.7 Ų | 138.7 | 90% | 0.902 | 69% | 0.694 | S | S | * | * | trans | -97.2 | 43.7 | 176.7 | -163.3 | -176.5 | -175 | -138.4 | 2.9 | 109.9 | ||||
| 115 | G | 47.1 | Very low | 55.3 | Low | 45 Ų | 45 | 134.2 Ų | 134.2 | 46% | 0.464 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -106 | -50.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F113 | F113-G115 VanDerWaalsContact C-N 3.32Š|
| 116 | N | 56.4 | Low | 57.3 | Low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -103 | -2.4 | -165.3 | -76.6 | 9 | 0 | 0 | 0 | 116.1 | L120 | N116-L120 PolarHBondContact O-N 3.1Š|
| 117 | K | 56.2 | Low | 58.9 | Low | 153 Ų | 153 | 132.2 Ų | 132.2 | 67% | 0.665 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.2 | -22.5 | -176.3 | -70.7 | -177.3 | -178.7 | 177.3 | 0 | 113.7 | K121 | K117-K121 WeakPolarHBondContact O-CB 3.33Å; K117-K121 WeakPolarHBondContact O-CD 2.99Å; K117-K121 WeakPolarHBondContact O-CG 3.34Å; K117-K121 PolarHBondContact O-N 3.38Å |
| 118 | I | 58.9 | Low | 61.1 | Low | 114 Ų | 114 | 131.1 Ų | 131.1 | 59% | 0.585 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.4 | -54.2 | -178.6 | -62.6 | 169.6 | 0 | 0 | 0 | 109 | L120 K121 D122 | I118-L120 PolarHBondContact O-N 2.9Å; I118-K121 PolarHBondContact O-N 3.48Å; I118-K121 VanDerWaalsContact O-N 3.11Å; I118-D122 VanDerWaalsContact O-CG 3.32Å; I118-D122 PolarHBondContact O-N 3.26Å |
| 119 | V | 57.9 | Low | 62.9 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 56% | 0.564 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57.8 | -43.6 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | K121 D122 V123 | V119-K121 PolarHBondContact O-N 2.84Å; V119-D122 PolarHBondContact O-N 3.41Å; V119-V123 HydrophobicContact CG1-CG2 4.45Å; V119-V123 VanDerWaalsContact O-CG2 3.28Å; V119-V123 WeakPolarHBondContact O-CG2 2.81Å; V119-V123 PolarHBondContact O-N 2.94Å |
| 120 | L | 68.4 | Low | 65 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 56% | 0.56 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.3 | -37.9 | 179.4 | -176.6 | 63.1 | 0 | 0 | 0 | 112.4 | N116 I118 D122 V123 I124 | N116-L120 PolarHBondContact O-N 3.1Å; I118-L120 PolarHBondContact O-N 2.9Å; L120-D122 VanDerWaalsContact C-N 3.33Å; L120-V123 PolarHBondContact O-N 3.11Å; L120-I124 HydrophobicContact CD1-CD1 4.06Å; L120-I124 HydrophobicContact CD1-CG1 4.35Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.5Å; L120-I124 WeakPolarHBondContact O-CD1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 2.66Å |
| 121 | K | 69 | Low | 67 | Low | 138 Ų | 138 | 115.4 Ų | 115.4 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -39.1 | 176.2 | -76.9 | 175.7 | -178.4 | -174.1 | 0 | 111.1 | K117 I118 V119 I124 T125 | K117-K121 WeakPolarHBondContact O-CB 3.33Å; K117-K121 WeakPolarHBondContact O-CD 2.99Å; K117-K121 WeakPolarHBondContact O-CG 3.34Å; K117-K121 PolarHBondContact O-N 3.38Å; I118-K121 PolarHBondContact O-N 3.48Å; I118-K121 VanDerWaalsContact O-N 3.11Å; V119-K121 PolarHBondContact O-N 2.84Å; K121-I124 PolarHBondContact O-N 2.91Å; K121-T125 WeakPolarHBondContact O-CB 3.28Å; K121-T125 WeakPolarHBondContact O-CG2 3.21Å; K121-T125 PolarHBondContact O-N 3.39Å; K121-T125 PolarHBondContact O-OG1 3.3Å |
| 122 | D | 72.4 | Confident | 69 | Low | 91 Ų | 91 | 114 Ų | 114 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.2 | -39 | 179 | -63.8 | -21.8 | 0 | 0 | 0 | 111.6 | I118 V119 L120 T125 L126 | I118-D122 VanDerWaalsContact O-CG 3.32Å; I118-D122 PolarHBondContact O-N 3.26Å; V119-D122 PolarHBondContact O-N 3.41Å; L120-D122 VanDerWaalsContact C-N 3.33Å; D122-T125 VanDerWaalsContact CA-OG1 3.29Å; D122-T125 WeakPolarHBondContact CA-OG1 3.45Å; D122-T125 PolarHBondContact O-N 3.16Å; D122-T125 PolarHBondContact O-OG1 3.35Å; D122-L126 WeakPolarHBondContact O-CB 3.45Å; D122-L126 PolarHBondContact O-N 3.36Å |
| 123 | V | 72.3 | Confident | 70.8 | Confident | 85 Ų | 85 | 115.9 Ų | 115.9 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.3 | -41.6 | 174.2 | 173 | 0 | 0 | 0 | 0 | 111.6 | V119 L120 R127 | V119-V123 HydrophobicContact CG1-CG2 4.45Å; V119-V123 VanDerWaalsContact O-CG2 3.28Å; V119-V123 WeakPolarHBondContact O-CG2 2.81Å; V119-V123 PolarHBondContact O-N 2.94Å; L120-V123 PolarHBondContact O-N 3.11Å; V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.47Å; V123-R127 PolarHBondContact O-N 2.8Å |
| 124 | I | 78.1 | Confident | 72.9 | Confident | 74 Ų | 74 | 109.8 Ų | 109.8 | 38% | 0.379 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 178.6 | -68.6 | 166.6 | 0 | 0 | 0 | 111.2 | L120 K121 R127 R128 | L120-I124 HydrophobicContact CD1-CD1 4.06Å; L120-I124 HydrophobicContact CD1-CG1 4.35Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.5Å; L120-I124 WeakPolarHBondContact O-CD1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 2.66Å; K121-I124 PolarHBondContact O-N 2.91Å; I124-R127 PolarHBondContact O-N 3.47Å; I124-R128 WeakPolarHBondContact O-CG 3.48Å; I124-R128 PolarHBondContact O-N 3.04Å |
| 125 | T | 81.7 | Confident | 74.6 | Confident | 80 Ų | 80 | 105.8 Ų | 105.8 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 177.6 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | K121 D122 R127 R128 H129 | K121-T125 WeakPolarHBondContact O-CB 3.28Å; K121-T125 WeakPolarHBondContact O-CG2 3.21Å; K121-T125 PolarHBondContact O-N 3.39Å; K121-T125 PolarHBondContact O-OG1 3.3Å; D122-T125 VanDerWaalsContact CA-OG1 3.29Å; D122-T125 WeakPolarHBondContact CA-OG1 3.45Å; D122-T125 PolarHBondContact O-N 3.16Å; D122-T125 PolarHBondContact O-OG1 3.35Å; T125-R127 PolarHBondContact O-N 2.93Å; T125-R128 PolarHBondContact O-N 3.24Å; T125-H129 WeakPolarHBondContact O-CB 3.29Å; T125-H129 PolarHBondContact O-N 3.45Å |
| 126 | L | 79.3 | Confident | 76.4 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 174.5 | -173.9 | 65.3 | 0 | 0 | 0 | 111.5 | D122 R128 H129 V130 | D122-L126 WeakPolarHBondContact O-CB 3.45Å; D122-L126 PolarHBondContact O-N 3.36Å; L126-R128 PolarHBondContact O-N 2.95Å; L126-H129 PolarHBondContact O-N 3.41Å; L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 2.85Å |
| 127 | R | 84.8 | Confident | 77.8 | Confident | 150 Ų | 150 | 106.8 Ų | 106.8 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.9 | -48.1 | 175.3 | -179.2 | -177.6 | 167.5 | -164.6 | -2.5 | 111.6 | V123 I124 T125 H129 V130 E131 | V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.47Å; V123-R127 PolarHBondContact O-N 2.8Å; I124-R127 PolarHBondContact O-N 3.47Å; T125-R127 PolarHBondContact O-N 2.93Å; R127-H129 VanDerWaalsContact C-N 3.3Å; R127-H129 PolarHBondContact O-N 2.86Å; R127-V130 PolarHBondContact O-N 3.42Å; R127-E131 HydrophobicContact CG-CG 4.49Å; R127-E131 IonicContact CZ-OE1 3.3Å; R127-E131 VanDerWaalsContact CZ-OE1 3.3Å; R127-E131 IonicContact NE-OE1 2.82Å; R127-E131 PolarHBondContact NE-OE1 3.06Å; R127-E131 IonicContact NH2-OE1 3.1Å; R127-E131 PolarHBondContact NH2-OE1 3.44Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.31Å; R127-E131 PolarHBondContact O-N 3.46Å |
| 128 | R | 82.3 | Confident | 79 | Confident | 172 Ų | 172 | 104.4 Ų | 104.4 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.3 | -41.4 | 177.6 | -75.5 | 177.2 | 177.9 | -175.4 | 0.3 | 111.6 | I124 T125 L126 E131 T132 | I124-R128 WeakPolarHBondContact O-CG 3.48Å; I124-R128 PolarHBondContact O-N 3.04Å; T125-R128 PolarHBondContact O-N 3.24Å; L126-R128 PolarHBondContact O-N 2.95Å; R128-E131 PolarHBondContact O-N 3.38Å; R128-T132 WeakPolarHBondContact O-CG2 3.35Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 3.44Å |
| 129 | H | 83.6 | Confident | 80 | Confident | 90 Ų | 90 | 107.6 Ų | 107.6 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 178.4 | 173.7 | -103.6 | 0 | 0 | 0 | 112.9 | T125 L126 R127 T132 K133 | T125-H129 WeakPolarHBondContact O-CB 3.29Å; T125-H129 PolarHBondContact O-N 3.45Å; L126-H129 PolarHBondContact O-N 3.41Å; R127-H129 VanDerWaalsContact C-N 3.3Å; R127-H129 PolarHBondContact O-N 2.86Å; H129-T132 PolarHBondContact O-OG1 3.38Å; H129-K133 WeakPolarHBondContact CE1-CE 3.42Å; H129-K133 PolarHBondContact CE1-NZ 2.86Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 3.39Å; H129-K133 WeakPolarHBondContact O-CG 3.23Å; H129-K133 PolarHBondContact O-N 3.48Å; H129-K133 VanDerWaalsContact O-N 3.1Å |
| 130 | V | 86.4 | Confident | 81 | Confident | 75 Ų | 75 | 110.6 Ų | 110.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 174.1 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | L126 R127 T132 K133 V134 | L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 2.85Å; R127-V130 PolarHBondContact O-N 3.42Å; V130-T132 VanDerWaalsContact C-N 3.35Å; V130-T132 PolarHBondContact O-N 2.85Å; V130-K133 PolarHBondContact O-N 3.06Å; V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.31Å; V130-V134 PolarHBondContact O-N 3.48Å |
| 131 | E | 81 | Confident | 81.3 | Confident | 69 Ų | 69 | 114.6 Ų | 114.6 | 32% | 0.322 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.7 | -76.7 | -177.3 | -172.7 | 0 | 0 | 112.1 | R127 R128 V134 R135 | R127-E131 HydrophobicContact CG-CG 4.49Å; R127-E131 IonicContact CZ-OE1 3.3Å; R127-E131 VanDerWaalsContact CZ-OE1 3.3Å; R127-E131 IonicContact NE-OE1 2.82Å; R127-E131 PolarHBondContact NE-OE1 3.06Å; R127-E131 IonicContact NH2-OE1 3.1Å; R127-E131 PolarHBondContact NH2-OE1 3.44Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.31Å; R127-E131 PolarHBondContact O-N 3.46Å; R128-E131 PolarHBondContact O-N 3.38Å; E131-V134 PolarHBondContact O-N 3.33Å; E131-R135 WeakPolarHBondContact O-CB 3.36Å; E131-R135 WeakPolarHBondContact O-CG 3.44Å; E131-R135 PolarHBondContact O-N 2.86Å |
| 132 | T | 88.5 | Confident | 81.4 | Confident | 83 Ų | 83 | 115.4 Ų | 115.4 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 112 | R128 H129 V130 R135 A136 | R128-T132 WeakPolarHBondContact O-CG2 3.35Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 3.44Å; H129-T132 PolarHBondContact O-OG1 3.38Å; V130-T132 VanDerWaalsContact C-N 3.35Å; V130-T132 PolarHBondContact O-N 2.85Å; T132-R135 PolarHBondContact O-N 3.27Å; T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.3Å; T132-A136 PolarHBondContact O-N 2.82Å |
| 133 | K | 88.6 | Confident | 81.2 | Confident | 123 Ų | 123 | 115 Ų | 115 | 54% | 0.535 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.6 | -80.4 | -169.7 | 172.5 | 179.6 | 0 | 112.4 | H129 V130 A136 K137 | H129-K133 WeakPolarHBondContact CE1-CE 3.42Å; H129-K133 PolarHBondContact CE1-NZ 2.86Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 3.39Å; H129-K133 WeakPolarHBondContact O-CG 3.23Å; H129-K133 PolarHBondContact O-N 3.48Å; H129-K133 VanDerWaalsContact O-N 3.1Å; V130-K133 PolarHBondContact O-N 3.06Å; K133-A136 PolarHBondContact O-N 3.44Å; K133-K137 WeakPolarHBondContact O-CG 3.37Å; K133-K137 PolarHBondContact O-N 2.96Å |
| 134 | V | 90 | Very high | 80.6 | Confident | 74 Ų | 74 | 114.4 Ų | 114.4 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | V130 E131 A136 K137 I138 | V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.31Å; V130-V134 PolarHBondContact O-N 3.48Å; E131-V134 PolarHBondContact O-N 3.33Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.43Å; V134-K137 PolarHBondContact O-N 2.87Å; V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.38Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 2.99Å |
| 135 | R | 84.1 | Confident | 79.8 | Confident | 155 Ų | 155 | 115.1 Ų | 115.1 | 59% | 0.585 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 176 | -74.1 | 174.9 | -176.9 | -162.2 | 2.8 | 112.2 | E131 T132 I138 R139 | E131-R135 WeakPolarHBondContact O-CB 3.36Å; E131-R135 WeakPolarHBondContact O-CG 3.44Å; E131-R135 PolarHBondContact O-N 2.86Å; T132-R135 PolarHBondContact O-N 3.27Å; R135-I138 PolarHBondContact O-N 3.13Å; R135-R139 WeakPolarHBondContact O-CB 3.33Å; R135-R139 WeakPolarHBondContact O-CG 3.18Å; R135-R139 PolarHBondContact O-N 2.87Å |
| 136 | A | 85.2 | Confident | 78.7 | Confident | 47 Ų | 47 | 119.3 Ų | 119.3 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.6 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T132 K133 V134 R139 K140 | T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.3Å; T132-A136 PolarHBondContact O-N 2.82Å; K133-A136 PolarHBondContact O-N 3.44Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.43Å; A136-R139 PolarHBondContact O-N 2.87Å; A136-K140 WeakPolarHBondContact O-CB 3.34Å; A136-K140 WeakPolarHBondContact O-CG 3.34Å; A136-K140 PolarHBondContact O-N 3.34Å |
| 137 | K | 84.3 | Confident | 77.7 | Confident | 159 Ų | 159 | 119.4 Ų | 119.4 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -43.2 | 173.6 | -78 | -177.5 | 177.3 | -175.8 | 0 | 112.1 | K133 V134 K140 R141 | K133-K137 WeakPolarHBondContact O-CG 3.37Å; K133-K137 PolarHBondContact O-N 2.96Å; V134-K137 PolarHBondContact O-N 2.87Å; K137-K140 PolarHBondContact O-N 2.9Å; K137-R141 VanDerWaalsContact O-CB 3.3Å; K137-R141 WeakPolarHBondContact O-CB 3.39Å; K137-R141 PolarHBondContact O-N 3.21Å |
| 138 | I | 83.1 | Confident | 76.2 | Confident | 103 Ų | 103 | 118.2 Ų | 118.2 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -45.3 | 176.3 | -67.8 | 167.7 | 0 | 0 | 0 | 110.6 | V134 R135 R141 K142 | V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.38Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 2.99Å; R135-I138 PolarHBondContact O-N 3.13Å; I138-R141 PolarHBondContact O-N 3.49Å; I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.43Å; I138-K142 PolarHBondContact O-N 2.92Å |
| 139 | R | 79.8 | Confident | 75 | Confident | 182 Ų | 182 | 117.6 Ų | 117.6 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.2 | -46.9 | 176.1 | -75.3 | 178.4 | -179.8 | -179.7 | -1.1 | 111.5 | R135 A136 R141 K142 V143 | R135-R139 WeakPolarHBondContact O-CB 3.33Å; R135-R139 WeakPolarHBondContact O-CG 3.18Å; R135-R139 PolarHBondContact O-N 2.87Å; A136-R139 PolarHBondContact O-N 2.87Å; R139-R141 PolarHBondContact O-N 3.46Å; R139-K142 PolarHBondContact O-N 3.38Å; R139-V143 WeakPolarHBondContact O-CB 3.22Å; R139-V143 VanDerWaalsContact O-CG2 3.23Å; R139-V143 WeakPolarHBondContact O-CG2 3.41Å; R139-V143 PolarHBondContact O-N 3.47Å |
| 140 | K | 78 | Confident | 73.6 | Confident | 156 Ų | 156 | 121.3 Ų | 121.3 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.3 | -46.6 | 175.2 | -77 | -173.2 | 178.6 | -169.1 | 0 | 111.4 | A136 K137 V143 T144 | A136-K140 WeakPolarHBondContact O-CB 3.34Å; A136-K140 WeakPolarHBondContact O-CG 3.34Å; A136-K140 PolarHBondContact O-N 3.34Å; K137-K140 PolarHBondContact O-N 2.9Å; K140-V143 PolarHBondContact O-N 3.19Å; K140-T144 WeakPolarHBondContact O-CG2 3.36Å; K140-T144 PolarHBondContact O-N 3.09Å; K140-T144 PolarHBondContact O-OG1 3.47Å; K140-T144 VanDerWaalsContact O-OG1 3.13Å |
| 141 | R | 73.8 | Confident | 72.1 | Confident | 190 Ų | 190 | 123.8 Ų | 123.8 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.7 | -43.2 | 176.8 | -167.2 | 177.5 | -175 | -165.3 | 1.8 | 112 | K137 I138 R139 T144 T145 | K137-R141 VanDerWaalsContact O-CB 3.3Å; K137-R141 WeakPolarHBondContact O-CB 3.39Å; K137-R141 PolarHBondContact O-N 3.21Å; I138-R141 PolarHBondContact O-N 3.49Å; R139-R141 PolarHBondContact O-N 3.46Å; R141-T144 WeakPolarHBondContact CA-OG1 3.14Å; R141-T144 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-OG1 2.98Å; R141-T145 WeakPolarHBondContact O-CB 3.13Å; R141-T145 PolarHBondContact O-N 2.64Å; R141-T145 PolarHBondContact O-OG1 3.13Å |
| 142 | K | 71.7 | Confident | 70.9 | Confident | 155 Ų | 155 | 130.2 Ų | 130.2 | 67% | 0.674 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.1 | -39.8 | 177.4 | -168.6 | 174.9 | -176.2 | 177.7 | 0 | 111.6 | I138 R139 K146 | I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.43Å; I138-K142 PolarHBondContact O-N 2.92Å; R139-K142 PolarHBondContact O-N 3.38Å; K142-K146 WeakPolarHBondContact O-CB 3.26Å; K142-K146 PolarHBondContact O-N 2.76Å |
| 143 | V | 69.1 | Low | 69.4 | Low | 82 Ų | 82 | 130.9 Ų | 130.9 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.4 | -46.1 | 175.6 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | R139 K140 T145 K146 I147 | R139-V143 WeakPolarHBondContact O-CB 3.22Å; R139-V143 VanDerWaalsContact O-CG2 3.23Å; R139-V143 WeakPolarHBondContact O-CG2 3.41Å; R139-V143 PolarHBondContact O-N 3.47Å; K140-V143 PolarHBondContact O-N 3.19Å; V143-T145 PolarHBondContact O-N 3.49Å; V143-K146 PolarHBondContact O-N 3.47Å; V143-K146 VanDerWaalsContact O-N 3.13Å; V143-I147 HydrophobicContact CG1-CD1 3.64Å; V143-I147 HydrophobicContact CG1-CG1 4.34Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.36Å; V143-I147 PolarHBondContact O-N 2.86Å |
| 144 | T | 60 | Low | 67.9 | Low | 73 Ų | 73 | 131.3 Ų | 131.3 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.8 | -36.2 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | K140 R141 K146 I147 N148 | K140-T144 WeakPolarHBondContact O-CG2 3.36Å; K140-T144 PolarHBondContact O-N 3.09Å; K140-T144 PolarHBondContact O-OG1 3.47Å; K140-T144 VanDerWaalsContact O-OG1 3.13Å; R141-T144 WeakPolarHBondContact CA-OG1 3.14Å; R141-T144 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-OG1 2.98Å; T144-K146 VanDerWaalsContact C-N 3.32Å; T144-K146 PolarHBondContact O-N 3.42Å; T144-I147 PolarHBondContact O-N 2.94Å; T144-N148 WeakPolarHBondContact O-CB 3.26Å; T144-N148 PolarHBondContact O-N 3.41Å; T144-N148 PolarHBondContact O-ND2 3.12Å |
| 145 | T | 61.2 | Low | 66.2 | Low | 90 Ų | 90 | 130.1 Ų | 130.1 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64 | -36.9 | 171 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | R141 V143 | R141-T145 WeakPolarHBondContact O-CB 3.13Å; R141-T145 PolarHBondContact O-N 2.64Å; R141-T145 PolarHBondContact O-OG1 3.13Å; V143-T145 PolarHBondContact O-N 3.49Å |
| 146 | K | 57.5 | Low | 64.8 | Low | 167 Ų | 167 | 131.3 Ų | 131.3 | 73% | 0.726 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.3 | -40.2 | 175.9 | -126.6 | -174.1 | 177.5 | -167 | 0 | 112.3 | K142 V143 T144 N148 H149 | K142-K146 WeakPolarHBondContact O-CB 3.26Å; K142-K146 PolarHBondContact O-N 2.76Å; V143-K146 PolarHBondContact O-N 3.47Å; V143-K146 VanDerWaalsContact O-N 3.13Å; T144-K146 VanDerWaalsContact C-N 3.32Å; T144-K146 PolarHBondContact O-N 3.42Å; K146-N148 VanDerWaalsContact C-N 3.32Å; K146-H149 PolarHBondContact O-N 3.24Å |
| 147 | I | 58 | Low | 63.3 | Low | 113 Ų | 113 | 139.5 Ų | 139.5 | 58% | 0.579 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.6 | -38.1 | 176.5 | -67.5 | 166.4 | 0 | 0 | 0 | 110.4 | V143 T144 H149 H150 | V143-I147 HydrophobicContact CG1-CD1 3.64Å; V143-I147 HydrophobicContact CG1-CG1 4.34Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.36Å; V143-I147 PolarHBondContact O-N 2.86Å; T144-I147 PolarHBondContact O-N 2.94Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å; I147-H150 PolarHBondContact O-N 3.37Å |
| 148 | N | 54.9 | Low | 61.8 | Low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 2.3 | 176.4 | -75.9 | -16.9 | 0 | 0 | 0 | 115.3 | T144 K146 | T144-N148 WeakPolarHBondContact O-CB 3.26Å; T144-N148 PolarHBondContact O-N 3.41Å; T144-N148 PolarHBondContact O-ND2 3.12Å; K146-N148 VanDerWaalsContact C-N 3.32Å |
| 149 | H | 56.3 | Low | 60.7 | Low | 160 Ų | 160 | 136.3 Ų | 136.3 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -8.5 | 172.8 | -156.6 | -28.7 | 0 | 0 | 0 | 112.7 | K146 I147 | K146-H149 PolarHBondContact O-N 3.24Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å |
| 150 | H | 55.1 | Low | 60.1 | Low | 168 Ų | 168 | 129.7 Ų | 129.7 | 78% | 0.778 | 63% | 0.632 | S | S | * | * | trans | -95.8 | 0.9 | -177 | -110.8 | -70.3 | 0 | 0 | 0 | 115.9 | I147 K152 | I147-H150 PolarHBondContact O-N 3.37Å; H150-K152 PolarHBondContact O-N 3.33Å | ||
| 151 | D | 54.5 | Low | 59.9 | Low | 127 Ų | 127 | 131.1 Ų | 131.1 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -67.6 | 105.6 | 163.1 | -80.3 | -13.9 | 0 | 0 | 0 | 107.9 | I153 | D151-I153 WeakPolarHBondContact O-CG1 3.45Å; D151-I153 PolarHBondContact O-N 2.9Å |
| 152 | K | 54.5 | Low | 59.9 | Low | 204 Ų | 204 | 129.2 Ų | 129.2 | 89% | 0.887 | 63% | 0.63 | S | S | * | * | trans | -56.7 | 91.4 | 163.1 | -82.4 | 176.4 | 174.6 | 176.2 | 0 | 106.9 | H150 N154 | H150-K152 PolarHBondContact O-N 3.33Å; K152-N154 PolarHBondContact O-N 3.42Å | ||
| 153 | I | 58.6 | Low | 60.1 | Low | 97 Ų | 97 | 127.4 Ų | 127.4 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | trans | -65 | 92 | 171.5 | -62.9 | 175.4 | 0 | 0 | 0 | 105.3 | D151 G155 K158 | D151-I153 WeakPolarHBondContact O-CG1 3.45Å; D151-I153 PolarHBondContact O-N 2.9Å; I153-G155 PolarHBondContact O-N 2.72Å; I153-K158 HydrophobicContact CG2-CD 3.62Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.76Å | ||
| 154 | N | 57.2 | Low | 61 | Low | 131 Ų | 131 | 130.3 Ų | 130.3 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | trans | -51.8 | 113 | 176.5 | -147.8 | -9.4 | 0 | 0 | 0 | 106.9 | K152 K156 R157 | K152-N154 PolarHBondContact O-N 3.42Å; N154-K156 PolarHBondContact O-N 2.99Å; N154-R157 PolarHBondContact O-N 2.97Å | ||
| 155 | G | 53.1 | Low | 62.3 | Low | 50 Ų | 50 | 131.9 Ų | 131.9 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | -12.7 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I153 T159 | I153-G155 PolarHBondContact O-N 2.72Å; G155-T159 PolarHBondContact O-OG1 2.81Å |
| 156 | K | 54.1 | Low | 63.4 | Low | 179 Ų | 179 | 134 Ų | 134 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.6 | -34.6 | -178.7 | -62.8 | -175.6 | 178.4 | -177.6 | 0 | 114.4 | N154 A160 | N154-K156 PolarHBondContact O-N 2.99Å; K156-A160 PolarHBondContact O-N 3.23Å |
| 157 | R | 54.3 | Low | 64.9 | Low | 220 Ų | 220 | 132 Ų | 132 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.2 | -30.9 | -173.2 | -158.2 | 175.4 | -172.8 | 173.4 | 2.8 | 113.5 | N154 R161 | N154-R157 PolarHBondContact O-N 2.97Å; R157-R161 PolarHBondContact O-N 3.35Å |
| 158 | K | 53.5 | Low | 66.5 | Low | 122 Ų | 122 | 135.7 Ų | 135.7 | 53% | 0.53 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.4 | -36.2 | 175.7 | -80 | -170.9 | 174.6 | 168.2 | 0 | 112 | I153 K162 | I153-K158 HydrophobicContact CG2-CD 3.62Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.76Å; K158-K162 WeakPolarHBondContact O-CB 3.34Å; K158-K162 WeakPolarHBondContact O-CG 3.35Å; K158-K162 PolarHBondContact O-N 2.91Å |
| 159 | T | 59.7 | Low | 68.1 | Low | 72 Ų | 72 | 132.5 Ų | 132.5 | 44% | 0.442 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.4 | -44.1 | 178.9 | -35.1 | 0 | 0 | 0 | 0 | 111.2 | G155 R161 K162 Q163 | G155-T159 PolarHBondContact O-OG1 2.81Å; T159-R161 PolarHBondContact O-N 3.12Å; T159-K162 PolarHBondContact O-N 3.25Å; T159-Q163 WeakPolarHBondContact O-CB 3.3Å; T159-Q163 VanDerWaalsContact O-CG 3.3Å; T159-Q163 WeakPolarHBondContact O-CG 3.33Å; T159-Q163 PolarHBondContact O-N 3.47Å |
| 160 | A | 67.8 | Low | 69.8 | Low | 44 Ų | 44 | 129.2 Ų | 129.2 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | K156 K164 | K156-A160 PolarHBondContact O-N 3.23Å; A160-K164 WeakPolarHBondContact O-CB 3.14Å; A160-K164 WeakPolarHBondContact O-CG 3.44Å; A160-K164 PolarHBondContact O-N 3.44Å |
| 161 | R | 72.6 | Confident | 71.5 | Confident | 186 Ų | 186 | 125 Ų | 125 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.2 | -40 | 176.9 | -167 | 178.1 | 177.2 | 174.6 | 0.2 | 111.9 | R157 T159 K164 M165 | R157-R161 PolarHBondContact O-N 3.35Å; T159-R161 PolarHBondContact O-N 3.12Å; R161-K164 PolarHBondContact O-N 3.4Å; R161-M165 HydrophobicContact CG-CE 4.22Å; R161-M165 WeakPolarHBondContact O-CG 3.46Å; R161-M165 PolarHBondContact O-N 3.21Å |
| 162 | K | 75.5 | Confident | 73.2 | Confident | 150 Ų | 150 | 124.5 Ų | 124.5 | 65% | 0.652 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.2 | -44.1 | 174.2 | -82.8 | -173.7 | 172.7 | -172.4 | 0 | 112 | K158 T159 K164 M165 F166 | K158-K162 WeakPolarHBondContact O-CB 3.34Å; K158-K162 WeakPolarHBondContact O-CG 3.35Å; K158-K162 PolarHBondContact O-N 2.91Å; T159-K162 PolarHBondContact O-N 3.25Å; K162-K164 PolarHBondContact O-N 2.77Å; K162-M165 HydrophobicContact CG-CE 4.33Å; K162-M165 PolarHBondContact O-N 3.1Å; K162-F166 WeakPolarHBondContact O-CB 3.34Å; K162-F166 PolarHBondContact O-N 3.48Å |
| 163 | Q | 75.6 | Confident | 74.7 | Confident | 117 Ų | 117 | 123.1 Ų | 123.1 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.3 | -43.4 | 175.6 | -77.3 | 173.6 | -18.6 | 0 | 0 | 111.6 | T159 M165 F166 Q167 | T159-Q163 WeakPolarHBondContact O-CB 3.3Å; T159-Q163 VanDerWaalsContact O-CG 3.3Å; T159-Q163 WeakPolarHBondContact O-CG 3.33Å; T159-Q163 PolarHBondContact O-N 3.47Å; Q163-M165 PolarHBondContact O-N 3.01Å; Q163-F166 PolarHBondContact O-N 2.78Å; Q163-Q167 WeakPolarHBondContact O-CB 3.01Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 2.96Å |
| 164 | K | 86.7 | Confident | 76.1 | Confident | 142 Ų | 142 | 126 Ų | 126 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -39.1 | 174.3 | -76.9 | -177.3 | 178.7 | -173.1 | 0 | 113 | A160 R161 K162 R168 | A160-K164 WeakPolarHBondContact O-CB 3.14Å; A160-K164 WeakPolarHBondContact O-CG 3.44Å; A160-K164 PolarHBondContact O-N 3.44Å; R161-K164 PolarHBondContact O-N 3.4Å; K162-K164 PolarHBondContact O-N 2.77Å; K164-R168 WeakPolarHBondContact O-CB 3.26Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.46Å |
| 165 | M | 87.9 | Confident | 77.4 | Confident | 106 Ų | 106 | 127.2 Ų | 127.2 | 52% | 0.522 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.5 | -38.9 | 175.3 | -72.9 | -174.8 | -64.2 | 0 | 0 | 111.8 | R161 K162 Q163 R168 A169 | R161-M165 HydrophobicContact CG-CE 4.22Å; R161-M165 WeakPolarHBondContact O-CG 3.46Å; R161-M165 PolarHBondContact O-N 3.21Å; K162-M165 HydrophobicContact CG-CE 4.33Å; K162-M165 PolarHBondContact O-N 3.1Å; Q163-M165 PolarHBondContact O-N 3.01Å; M165-R168 PolarHBondContact O-N 3.36Å; M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.23Å |
| 166 | F | 85.3 | Confident | 78.8 | Confident | 134 Ų | 134 | 127.8 Ų | 127.8 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.5 | -44.5 | 176.3 | -171.9 | -103.4 | 0 | 0 | 0 | 112.1 | K162 Q163 R168 A169 Q170 | K162-F166 WeakPolarHBondContact O-CB 3.34Å; K162-F166 PolarHBondContact O-N 3.48Å; Q163-F166 PolarHBondContact O-N 2.78Å; F166-R168 PolarHBondContact O-N 2.96Å; F166-A169 PolarHBondContact O-N 3.4Å; F166-Q170 HydrophobicContact CD1-CG 4.49Å; F166-Q170 HydrophobicContact CE1-CG 4.25Å; F166-Q170 WeakPolarHBondContact O-CG 3.5Å; F166-Q170 PolarHBondContact O-N 3.23Å |
| 167 | Q | 88 | Confident | 79.9 | Confident | 126 Ų | 126 | 123.2 Ų | 123.2 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.1 | -44.1 | 173.3 | -75.3 | 175.8 | -14.7 | 0 | 0 | 111.7 | Q163 A169 Q170 E171 | Q163-Q167 WeakPolarHBondContact O-CB 3.01Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 2.96Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.46Å; Q167-Q170 PolarHBondContact O-N 3.32Å; Q167-E171 WeakPolarHBondContact O-CB 3.46Å; Q167-E171 PolarHBondContact O-N 2.92Å |
| 168 | R | 90.9 | Very high | 81.3 | Confident | 190 Ų | 190 | 116.4 Ų | 116.4 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -38.2 | 175.4 | -79.6 | -176.7 | 178.9 | -169 | -1.3 | 113 | K164 M165 F166 E171 L172 | K164-R168 WeakPolarHBondContact O-CB 3.26Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.46Å; M165-R168 PolarHBondContact O-N 3.36Å; F166-R168 PolarHBondContact O-N 2.96Å; R168-E171 PolarHBondContact O-N 2.94Å; R168-L172 WeakPolarHBondContact O-CB 3.39Å; R168-L172 WeakPolarHBondContact O-CG 3.21Å; R168-L172 PolarHBondContact O-N 3.43Å |
| 169 | A | 89.5 | Confident | 82.2 | Confident | 57 Ų | 57 | 117.4 Ų | 117.4 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M165 F166 Q167 L172 R173 | M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.23Å; F166-A169 PolarHBondContact O-N 3.4Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.46Å; A169-L172 PolarHBondContact O-N 3.44Å; A169-R173 WeakPolarHBondContact O-CB 3.44Å; A169-R173 PolarHBondContact O-N 3.01Å |
| 170 | Q | 91.1 | Very high | 82.6 | Confident | 91 Ų | 91 | 119.4 Ų | 119.4 | 43% | 0.425 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 174.2 | -73.8 | -174.8 | -28 | 0 | 0 | 112.4 | F166 Q167 R173 R174 | F166-Q170 HydrophobicContact CD1-CG 4.49Å; F166-Q170 HydrophobicContact CE1-CG 4.25Å; F166-Q170 WeakPolarHBondContact O-CG 3.5Å; F166-Q170 PolarHBondContact O-N 3.23Å; Q167-Q170 PolarHBondContact O-N 3.32Å; Q170-R173 WeakPolarHBondContact O-CB 3.44Å; Q170-R173 PolarHBondContact O-N 3.47Å; Q170-R174 WeakPolarHBondContact O-CG 3.48Å; Q170-R174 PolarHBondContact O-N 2.76Å |
| 171 | E | 91.1 | Very high | 82.6 | Confident | 81 Ų | 81 | 121.7 Ų | 121.7 | 38% | 0.379 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.6 | -178.7 | 66 | -165.7 | 0 | 0 | 111.7 | Q167 R168 R173 R174 R175 | Q167-E171 WeakPolarHBondContact O-CB 3.46Å; Q167-E171 PolarHBondContact O-N 2.92Å; R168-E171 PolarHBondContact O-N 2.94Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 2.97Å; E171-R174 PolarHBondContact O-N 3.43Å; E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 3.02Å; E171-R175 IonicContact OE1-CZ 3.06Å; E171-R175 IonicContact OE1-NE 2.89Å; E171-R175 PolarHBondContact OE1-NE 3.25Å; E171-R175 VanDerWaalsContact OE1-NE 3.12Å; E171-R175 IonicContact OE1-NH2 3.42Å; E171-R175 PolarHBondContact OE1-NH2 3.33Å |
| 172 | L | 91.3 | Very high | 82.4 | Confident | 115 Ų | 115 | 118.3 Ų | 118.3 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -39 | 175.2 | -75.4 | 171 | 0 | 0 | 0 | 112.1 | R168 A169 R175 A176 | R168-L172 WeakPolarHBondContact O-CB 3.39Å; R168-L172 WeakPolarHBondContact O-CG 3.21Å; R168-L172 PolarHBondContact O-N 3.43Å; A169-L172 PolarHBondContact O-N 3.44Å; L172-R175 PolarHBondContact O-N 3.23Å; L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 2.99Å |
| 173 | R | 86.2 | Confident | 82.2 | Confident | 175 Ų | 175 | 117.7 Ų | 117.7 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 175.3 | -177.2 | 178.1 | 173.4 | 164.3 | 3.5 | 111.6 | A169 Q170 E171 R175 A176 E177 | A169-R173 WeakPolarHBondContact O-CB 3.44Å; A169-R173 PolarHBondContact O-N 3.01Å; Q170-R173 WeakPolarHBondContact O-CB 3.44Å; Q170-R173 PolarHBondContact O-N 3.47Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 2.97Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 PolarHBondContact O-N 3.28Å; R173-A176 PolarHBondContact O-N 2.97Å; R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 3.95Å; R173-E177 IonicContact NE-OE1 3.94Å; R173-E177 PolarHBondContact NE-OE1 3.27Å; R173-E177 IonicContact NH2-OE1 2.93Å; R173-E177 WeakPolarHBondContact O-CG 3.43Å; R173-E177 PolarHBondContact O-N 2.92Å |
| 174 | R | 86.3 | Confident | 81.8 | Confident | 159 Ų | 159 | 113.7 Ų | 113.7 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.9 | -43.9 | 175.6 | -73.1 | 179.2 | 179.1 | 178.5 | -1.4 | 111.7 | Q170 E171 A176 E177 D178 | Q170-R174 WeakPolarHBondContact O-CG 3.48Å; Q170-R174 PolarHBondContact O-N 2.76Å; E171-R174 PolarHBondContact O-N 3.43Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 2.8Å; R174-E177 PolarHBondContact O-N 3.38Å; R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.28Å; R174-D178 PolarHBondContact O-N 3.44Å |
| 175 | R | 85.3 | Confident | 81.1 | Confident | 155 Ų | 155 | 110.4 Ų | 110.4 | 59% | 0.585 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 176 | -71 | -179.6 | -167.1 | -178.7 | 1.1 | 113.3 | E171 L172 R173 D178 Y179 | E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 3.02Å; E171-R175 IonicContact OE1-CZ 3.06Å; E171-R175 IonicContact OE1-NE 2.89Å; E171-R175 PolarHBondContact OE1-NE 3.25Å; E171-R175 VanDerWaalsContact OE1-NE 3.12Å; E171-R175 IonicContact OE1-NH2 3.42Å; E171-R175 PolarHBondContact OE1-NH2 3.33Å; L172-R175 PolarHBondContact O-N 3.23Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 PolarHBondContact O-N 3.28Å; R175-D178 PolarHBondContact O-N 2.87Å; R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.85Å |
| 176 | A | 81.6 | Confident | 80.1 | Confident | 62 Ų | 62 | 110.3 Ų | 110.3 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L172 R173 R174 Y179 H180 | L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 2.99Å; R173-A176 PolarHBondContact O-N 2.97Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 2.8Å; A176-Y179 PolarHBondContact O-N 3.35Å; A176-H180 WeakPolarHBondContact O-CB 3.3Å; A176-H180 PolarHBondContact O-N 2.85Å |
| 177 | E | 78.9 | Confident | 79.1 | Confident | 84 Ų | 84 | 108.2 Ų | 108.2 | 39% | 0.393 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -42 | 174.7 | -72.6 | 172.7 | -165.7 | 0 | 0 | 111.3 | R173 R174 H180 K181 | R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 3.95Å; R173-E177 IonicContact NE-OE1 3.94Å; R173-E177 PolarHBondContact NE-OE1 3.27Å; R173-E177 IonicContact NH2-OE1 2.93Å; R173-E177 WeakPolarHBondContact O-CG 3.43Å; R173-E177 PolarHBondContact O-N 2.92Å; R174-E177 PolarHBondContact O-N 3.38Å; E177-H180 PolarHBondContact O-N 3.3Å; E177-K181 VanDerWaalsContact O-CG 3.28Å; E177-K181 WeakPolarHBondContact O-CG 3.34Å; E177-K181 PolarHBondContact O-N 2.93Å |
| 178 | D | 82.4 | Confident | 78.1 | Confident | 77 Ų | 77 | 104 Ų | 104 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71 | -37.2 | 178 | -68.1 | -22.3 | 0 | 0 | 0 | 112.2 | R174 R175 H180 K181 C182 | R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.28Å; R174-D178 PolarHBondContact O-N 3.44Å; R175-D178 PolarHBondContact O-N 2.87Å; D178-H180 VanDerWaalsContact C-N 3.34Å; D178-H180 PolarHBondContact O-N 3.26Å; D178-K181 WeakPolarHBondContact O-CB 3.37Å; D178-K181 PolarHBondContact O-N 3.06Å; D178-K181 IonicContact OD1-NZ 3.12Å; D178-K181 PolarHBondContact OD1-NZ 3.08Å; D178-K181 VanDerWaalsContact OD1-NZ 3.1Å; D178-C182 WeakPolarHBondContact O-CB 3.48Å; D178-C182 PolarHBondContact O-N 3.12Å; D178-C182 PolarHBondContact O-SG 2.89Å |
| 179 | Y | 72.4 | Confident | 77 | Confident | 143 Ų | 143 | 99.4 Ų | 99.4 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 171 | -176.8 | -100.9 | 0 | 0 | 0 | 112 | R175 A176 K181 C182 K183 | R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.85Å; A176-Y179 PolarHBondContact O-N 3.35Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; Y179-C182 PolarHBondContact O-N 3.33Å; Y179-K183 HydrophobicContact CD1-CD 4.23Å; Y179-K183 HydrophobicContact CE1-CD 3.55Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 WeakPolarHBondContact O-CB 3.28Å; Y179-K183 PolarHBondContact O-N 2.89Å; Y179-K183 WeakPolarHBondContact OH-CE 3.36Å; Y179-K183 PolarHBondContact OH-NZ 3Å |
| 180 | H | 69.4 | Low | 76 | Confident | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 175.3 | -172.1 | 72.3 | 0 | 0 | 0 | 111.8 | A176 E177 D178 I184 | A176-H180 WeakPolarHBondContact O-CB 3.3Å; A176-H180 PolarHBondContact O-N 2.85Å; E177-H180 PolarHBondContact O-N 3.3Å; D178-H180 VanDerWaalsContact C-N 3.34Å; D178-H180 PolarHBondContact O-N 3.26Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.41Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 PolarHBondContact O-N 3.2Å |
| 181 | K | 67.6 | Low | 74.9 | Confident | 91 Ų | 91 | 102.6 Ų | 102.6 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 171.8 | -72 | 172.1 | -165.5 | 159.7 | 0 | 111 | E177 D178 Y179 K183 I184 R189 | E177-K181 VanDerWaalsContact O-CG 3.28Å; E177-K181 WeakPolarHBondContact O-CG 3.34Å; E177-K181 PolarHBondContact O-N 2.93Å; D178-K181 WeakPolarHBondContact O-CB 3.37Å; D178-K181 PolarHBondContact O-N 3.06Å; D178-K181 IonicContact OD1-NZ 3.12Å; D178-K181 PolarHBondContact OD1-NZ 3.08Å; D178-K181 VanDerWaalsContact OD1-NZ 3.1Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 3.12Å; K181-I184 PolarHBondContact O-N 3.42Å; K181-R189 VanDerWaalsContact CB-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 3.42Å |
| 182 | C | 68.4 | Low | 73.8 | Confident | 115 Ų | 115 | 103.2 Ų | 103.2 | 78% | 0.777 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.3 | -28.6 | -178.4 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | D178 Y179 | D178-C182 WeakPolarHBondContact O-CB 3.48Å; D178-C182 PolarHBondContact O-N 3.12Å; D178-C182 PolarHBondContact O-SG 2.89Å; Y179-C182 PolarHBondContact O-N 3.33Å |
| 183 | K | 70.3 | Confident | 72.7 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -79.9 | -25.8 | 177.4 | -87.3 | -164.6 | 162.2 | -178.8 | 0 | 114.8 | Y179 K181 | Y179-K183 HydrophobicContact CD1-CD 4.23Å; Y179-K183 HydrophobicContact CE1-CD 3.55Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 WeakPolarHBondContact O-CB 3.28Å; Y179-K183 PolarHBondContact O-N 2.89Å; Y179-K183 WeakPolarHBondContact OH-CE 3.36Å; Y179-K183 PolarHBondContact OH-NZ 3Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 3.12Å |
| 184 | I | 66.7 | Low | 72.1 | Confident | 34 Ų | 34 | 97.2 Ų | 97.2 | 17% | 0.174 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -106.5 | 113.4 | -178.4 | -54.2 | -175.2 | 0 | 0 | 0 | 109.6 | H180 K181 A188 R189 | H180-I184 WeakPolarHBondContact CE1-CD1 3.41Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 PolarHBondContact O-N 3.2Å; K181-I184 PolarHBondContact O-N 3.42Å; I184-A188 HydrophobicContact CG2-CB 3.72Å; I184-R189 HydrophobicContact CB-CG 3.99Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.47Å; I184-R189 VanDerWaalsContact CG2-CG 3.47Å; I184-R189 PolarHBondContact O-NE 3.38Å; I184-R189 VanDerWaalsContact O-NE 3.16Å; I184-R189 PolarHBondContact O-NH2 3.29Å |
| 185 | P | 71.8 | Confident | 71.4 | Confident | 72 Ų | 72 | 98.2 Ų | 98.2 | 47% | 0.468 | 51% | 0.51 | S | S | . | . | trans | -58.8 | 145.7 | 177 | 22.2 | -30.1 | 0 | 0 | 0 | 110.3 | S187 A188 R189 | P185-S187 PolarHBondContact O-N 2.62Å; P185-A188 HydrophobicContact CG-CB 3.86Å; P185-A188 PolarHBondContact O-N 3.22Å; P185-R189 PolarHBondContact O-N 2.82Å | ||
| 186 | P | 67.3 | Low | 70.7 | Confident | 104 Ų | 104 | 94.6 Ų | 94.6 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -52.6 | -33.5 | -175.3 | -27.9 | 34.5 | 0 | 0 | 0 | 114.2 | R189 K190 | P186-R189 PolarHBondContact O-N 3.46Å; P186-K190 PolarHBondContact O-N 3.43Å |
| 187 | S | 65.7 | Low | 70.1 | Confident | 91 Ų | 91 | 100.9 Ų | 100.9 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 175.7 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | P185 R189 K190 A191 | P185-S187 PolarHBondContact O-N 2.62Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.44Å; S187-K190 PolarHBondContact O-N 2.86Å; S187-A191 PolarHBondContact O-N 2.9Å |
| 188 | A | 65.8 | Low | 69.5 | Low | 38 Ų | 38 | 102.9 Ų | 102.9 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.6 | -29.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I184 P185 A191 L192 | I184-A188 HydrophobicContact CG2-CB 3.72Å; P185-A188 HydrophobicContact CG-CB 3.86Å; P185-A188 PolarHBondContact O-N 3.22Å; A188-A191 PolarHBondContact O-N 3.48Å; A188-L192 WeakPolarHBondContact O-CB 3.49Å; A188-L192 PolarHBondContact O-N 3.39Å |
| 189 | R | 67.2 | Low | 68.6 | Low | 93 Ų | 93 | 101 Ų | 101 | 35% | 0.351 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 172.9 | -60.5 | -168.5 | -154.9 | 155.8 | 13.4 | 112.2 | K181 I184 P185 P186 S187 L192 C193 | K181-R189 VanDerWaalsContact CB-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 3.42Å; I184-R189 HydrophobicContact CB-CG 3.99Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.47Å; I184-R189 VanDerWaalsContact CG2-CG 3.47Å; I184-R189 PolarHBondContact O-NE 3.38Å; I184-R189 VanDerWaalsContact O-NE 3.16Å; I184-R189 PolarHBondContact O-NH2 3.29Å; P185-R189 PolarHBondContact O-N 2.82Å; P186-R189 PolarHBondContact O-N 3.46Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.44Å; R189-L192 PolarHBondContact O-N 3.02Å; R189-C193 WeakPolarHBondContact O-CB 3.22Å; R189-C193 PolarHBondContact O-N 2.98Å; R189-C193 PolarHBondContact O-SG 3.5Å; R189-C193 VanDerWaalsContact O-SG 3.37Å |
| 190 | K | 68.9 | Low | 68 | Low | 153 Ų | 153 | 96.4 Ų | 96.4 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -41.8 | 177.9 | -163.1 | 175.7 | -177 | -178.6 | 0 | 110.9 | P186 S187 N194 | P186-K190 PolarHBondContact O-N 3.43Å; S187-K190 PolarHBondContact O-N 2.86Å; K190-N194 WeakPolarHBondContact O-CB 3.42Å; K190-N194 PolarHBondContact O-N 3.29Å; K190-N194 PolarHBondContact O-ND2 3.45Å |
| 191 | A | 69.1 | Low | 67.6 | Low | 61 Ų | 61 | 92.7 Ų | 92.7 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S187 A188 N194 W195 | S187-A191 PolarHBondContact O-N 2.9Å; A188-A191 PolarHBondContact O-N 3.48Å; A191-N194 PolarHBondContact O-N 3.47Å; A191-W195 WeakPolarHBondContact O-CB 3.42Å; A191-W195 PolarHBondContact O-N 3.27Å |
| 192 | L | 68.4 | Low | 67.1 | Low | 95 Ų | 95 | 95 Ų | 95 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 179 | -152.5 | 116.9 | 0 | 0 | 0 | 112.1 | A188 R189 W195 V196 | A188-L192 WeakPolarHBondContact O-CB 3.49Å; A188-L192 PolarHBondContact O-N 3.39Å; R189-L192 PolarHBondContact O-N 3.02Å; L192-W195 PolarHBondContact O-N 2.95Å; L192-V196 VanDerWaalsContact O-CG2 3.3Å; L192-V196 WeakPolarHBondContact O-CG2 3.48Å; L192-V196 PolarHBondContact O-N 3.04Å |
| 193 | C | 66.8 | Low | 66.3 | Low | 79 Ų | 79 | 96.9 Ų | 96.9 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 174 | -76.1 | 0 | 0 | 0 | 0 | 112.3 | R189 R197 | R189-C193 WeakPolarHBondContact O-CB 3.22Å; R189-C193 PolarHBondContact O-N 2.98Å; R189-C193 PolarHBondContact O-SG 3.5Å; R189-C193 VanDerWaalsContact O-SG 3.37Å; C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.44Å; C193-R197 PolarHBondContact O-N 3.28Å |
| 194 | N | 73.2 | Confident | 65.3 | Low | 85 Ų | 85 | 99 Ų | 99 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 175.6 | -73.9 | -9.7 | 0 | 0 | 0 | 111.4 | K190 A191 R197 M198 | K190-N194 WeakPolarHBondContact O-CB 3.42Å; K190-N194 PolarHBondContact O-N 3.29Å; K190-N194 PolarHBondContact O-ND2 3.45Å; A191-N194 PolarHBondContact O-N 3.47Å; N194-R197 PolarHBondContact O-N 3.5Å; N194-M198 WeakPolarHBondContact O-CB 3.37Å; N194-M198 VanDerWaalsContact O-CG 3.28Å; N194-M198 WeakPolarHBondContact O-CG 3.49Å; N194-M198 PolarHBondContact O-N 2.98Å |
| 195 | W | 71.5 | Confident | 64.5 | Low | 180 Ų | 180 | 105.4 Ų | 105.4 | 68% | 0.682 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 175.8 | -176.7 | 72.4 | 0 | 0 | 0 | 112.2 | A191 L192 R197 M198 A199 | A191-W195 WeakPolarHBondContact O-CB 3.42Å; A191-W195 PolarHBondContact O-N 3.27Å; L192-W195 PolarHBondContact O-N 2.95Å; W195-R197 VanDerWaalsContact C-N 3.32Å; W195-R197 PolarHBondContact O-N 3.25Å; W195-M198 PolarHBondContact O-N 3.16Å; W195-A199 WeakPolarHBondContact O-CB 3.48Å; W195-A199 PolarHBondContact O-N 2.84Å |
| 196 | V | 71.8 | Confident | 63.6 | Low | 78 Ų | 78 | 107.3 Ų | 107.3 | 47% | 0.473 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63 | -37.5 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L192 A200 | L192-V196 VanDerWaalsContact O-CG2 3.3Å; L192-V196 WeakPolarHBondContact O-CG2 3.48Å; L192-V196 PolarHBondContact O-N 3.04Å; V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.4Å; V196-A200 PolarHBondContact O-N 3.25Å |
| 197 | R | 68.9 | Low | 63.1 | Low | 194 Ų | 194 | 105.2 Ų | 105.2 | 73% | 0.732 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.2 | -40.2 | 174.3 | -75.9 | 179.6 | 101.8 | 166.1 | 6 | 112.5 | C193 N194 W195 A201 | C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.44Å; C193-R197 PolarHBondContact O-N 3.28Å; N194-R197 PolarHBondContact O-N 3.5Å; W195-R197 VanDerWaalsContact C-N 3.32Å; W195-R197 PolarHBondContact O-N 3.25Å; R197-A201 WeakPolarHBondContact O-CB 3.47Å; R197-A201 PolarHBondContact O-N 3.42Å |
| 198 | M | 66.3 | Low | 62.5 | Low | 127 Ų | 127 | 104.4 Ų | 104.4 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.5 | -49.7 | 175.4 | -77.6 | -73.1 | -63 | 0 | 0 | 111 | N194 W195 A200 A201 E202 | N194-M198 WeakPolarHBondContact O-CB 3.37Å; N194-M198 VanDerWaalsContact O-CG 3.28Å; N194-M198 WeakPolarHBondContact O-CG 3.49Å; N194-M198 PolarHBondContact O-N 2.98Å; W195-M198 PolarHBondContact O-N 3.16Å; M198-A200 VanDerWaalsContact C-N 3.29Å; M198-A200 PolarHBondContact O-N 2.93Å; M198-A201 CarbonylContact O-C 3.54Å; M198-A201 WeakPolarHBondContact O-CA 3.28Å; M198-A201 WeakPolarHBondContact O-CB 3.38Å; M198-A201 PolarHBondContact O-N 2.91Å; M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.87Å |
| 199 | A | 62.9 | Low | 61.8 | Low | 38 Ų | 38 | 109.2 Ų | 109.2 | 31% | 0.314 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.5 | -39.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W195 A201 E202 H203 | W195-A199 WeakPolarHBondContact O-CB 3.48Å; W195-A199 PolarHBondContact O-N 2.84Å; A199-A201 VanDerWaalsContact C-N 3.35Å; A199-E202 PolarHBondContact O-N 2.83Å; A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-N 3.24Å |
| 200 | A | 60 | Low | 60.8 | Low | 46 Ų | 46 | 109.8 Ų | 109.8 | 38% | 0.38 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69 | -30.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V196 M198 R204 | V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.4Å; V196-A200 PolarHBondContact O-N 3.25Å; M198-A200 VanDerWaalsContact C-N 3.29Å; M198-A200 PolarHBondContact O-N 2.93Å; A200-R204 WeakPolarHBondContact O-CD 3.3Å; A200-R204 WeakPolarHBondContact O-CG 3.39Å; A200-R204 PolarHBondContact O-N 3.46Å |
| 201 | A | 61 | Low | 59.6 | Low | 35 Ų | 35 | 111.6 Ų | 111.6 | 29% | 0.289 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.8 | -38.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R197 M198 A199 R204 H205 | R197-A201 WeakPolarHBondContact O-CB 3.47Å; R197-A201 PolarHBondContact O-N 3.42Å; M198-A201 CarbonylContact O-C 3.54Å; M198-A201 WeakPolarHBondContact O-CA 3.28Å; M198-A201 WeakPolarHBondContact O-CB 3.38Å; M198-A201 PolarHBondContact O-N 2.91Å; A199-A201 VanDerWaalsContact C-N 3.35Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.35Å; A201-R204 PolarHBondContact O-N 3.42Å; A201-R204 VanDerWaalsContact O-N 3.12Å; A201-H205 PolarHBondContact O-CD2 2.96Å; A201-H205 PolarHBondContact O-N 2.96Å |
| 202 | E | 56.2 | Low | 58.6 | Low | 141 Ų | 141 | 119.9 Ų | 119.9 | 66% | 0.659 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.7 | -41.9 | 177.5 | -164.9 | 167.9 | -168.8 | 0 | 0 | 111.2 | M198 A199 R204 H205 S206 | M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.87Å; A199-E202 PolarHBondContact O-N 2.83Å; E202-R204 PolarHBondContact O-N 2.89Å; E202-H205 PolarHBondContact O-N 3.36Å; E202-S206 PolarHBondContact O-N 2.91Å |
| 203 | H | 52.2 | Low | 57.6 | Low | 153 Ų | 153 | 118.5 Ų | 118.5 | 71% | 0.708 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.5 | -23 | 171.2 | -132.3 | -68.2 | 0 | 0 | 0 | 113.3 | A199 S207 | A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-N 3.24Å; H203-S207 PolarHBondContact O-OG 3.28Å |
| 204 | R | 48.8 | Very low | 56.7 | Low | 181 Ų | 181 | 125.3 Ų | 125.3 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -80.3 | -29.5 | 176.8 | -78.2 | 167.6 | -178 | 178.6 | -0.3 | 113.5 | A200 A201 E202 S207 | A200-R204 WeakPolarHBondContact O-CD 3.3Å; A200-R204 WeakPolarHBondContact O-CG 3.39Å; A200-R204 PolarHBondContact O-N 3.46Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.35Å; A201-R204 PolarHBondContact O-N 3.42Å; A201-R204 VanDerWaalsContact O-N 3.12Å; E202-R204 PolarHBondContact O-N 2.89Å; R204-S207 PolarHBondContact O-OG 3.45Å |
| 205 | H | 50.9 | Low | 55.5 | Low | 169 Ų | 169 | 125 Ų | 125 | 78% | 0.782 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.2 | -26.8 | 177.3 | -71.2 | -64.2 | 0 | 0 | 0 | 112.5 | A201 E202 | A201-H205 PolarHBondContact O-CD2 2.96Å; A201-H205 PolarHBondContact O-N 2.96Å; E202-H205 PolarHBondContact O-N 3.36Å |
| 206 | S | 53 | Low | 54.8 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -84.8 | -13.9 | 178.1 | -166.8 | 0 | 0 | 0 | 0 | 114.5 | E202 | E202-S206 PolarHBondContact O-N 2.91Š|
| 207 | S | 56.1 | Low | 53.9 | Low | 59 Ų | 59 | 120.9 Ų | 120.9 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -97.3 | -8 | -171.9 | 62.4 | 0 | 0 | 0 | 0 | 115.5 | H203 R204 L209 | H203-S207 PolarHBondContact O-OG 3.28Å; R204-S207 PolarHBondContact O-OG 3.45Å; S207-L209 PolarHBondContact O-N 3.37Å |
| 208 | G | 53.8 | Low | 53.1 | Low | 75 Ų | 75 | 117.9 Ų | 117.9 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | trans | 57.8 | 12.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 209 | L | 50.7 | Low | 52.5 | Low | 139 Ų | 139 | 114.3 Ų | 114.3 | 73% | 0.728 | 61% | 0.605 | S | S | * | * | trans | -89.3 | 134 | -174 | -81.6 | 164.9 | 0 | 0 | 0 | 111.3 | S207 Y211 | S207-L209 PolarHBondContact O-N 3.37Å; L209-Y211 PolarHBondContact O-N 3.46Å | ||
| 210 | P | 45.8 | Very low | 52.1 | Low | 105 Ų | 105 | 116.4 Ų | 116.4 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | trans | -64.7 | 136.3 | 178.8 | 25.1 | -31.1 | 0 | 0 | 0 | 111 | W212 | P210-W212 PolarHBondContact O-N 2.96Å; P210-W212 VanDerWaalsContact O-N 3.12Å | ||
| 211 | Y | 44.9 | Very low | 51.9 | Low | 191 Ų | 191 | 121.4 Ų | 121.4 | 75% | 0.749 | 62% | 0.624 | S | S | * | * | trans | -57.4 | 110.2 | 179.7 | 173.3 | -105.6 | 0 | 0 | 0 | 111.4 | L209 P213 | L209-Y211 PolarHBondContact O-N 3.46Å; Y211-P213 HydrophobicContact CD1-CG 4.12Å; Y211-P213 HydrophobicContact CE1-CB 3.65Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.49Å; Y211-P213 WeakPolarHBondContact OH-CB 3.46Å | ||
| 212 | W | 46.5 | Very low | 51.8 | Low | 234 Ų | 234 | 124.7 Ų | 124.7 | 89% | 0.886 | 64% | 0.636 | S | S | * | * | trans | -94.2 | 113.4 | 155.3 | -86.7 | 86.7 | 0 | 0 | 0 | 107.7 | P210 Y214 | P210-W212 PolarHBondContact O-N 2.96Å; P210-W212 VanDerWaalsContact O-N 3.12Å; W212-Y214 PolarHBondContact O-N 2.89Å; W212-Y214 VanDerWaalsContact O-N 3.08Å | ||
| 213 | P | 48.2 | Very low | 51.9 | Low | 66 Ų | 66 | 126.7 Ų | 126.7 | 43% | 0.429 | 64% | 0.638 | S | S | . | * | trans | -58.6 | 121 | 174.3 | 2.6 | 2 | 0 | 0 | 0 | 107.7 | Y211 L215 | Y211-P213 HydrophobicContact CD1-CG 4.12Å; Y211-P213 HydrophobicContact CE1-CB 3.65Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.49Å; Y211-P213 WeakPolarHBondContact OH-CB 3.46Å; P213-L215 VanDerWaalsContact C-N 3.33Å; P213-L215 PolarHBondContact O-N 2.88Å | ||
| 214 | Y | 47.8 | Very low | 52 | Low | 223 Ų | 223 | 126.4 Ų | 126.4 | 88% | 0.875 | 64% | 0.639 | S | S | * | * | trans | -55.5 | 106.4 | 161 | -134 | -95.1 | 0 | 0 | 0 | 105.4 | W212 T216 | W212-Y214 PolarHBondContact O-N 2.89Å; W212-Y214 VanDerWaalsContact O-N 3.08Å; Y214-T216 PolarHBondContact O-N 3.1Å | ||
| 215 | L | 48.7 | Very low | 52.3 | Low | 78 Ų | 78 | 120.9 Ų | 120.9 | 41% | 0.408 | 64% | 0.638 | S | S | . | * | trans | -53.4 | 109.3 | 172.9 | -83.9 | 158 | 0 | 0 | 0 | 106.4 | P213 T219 L220 | P213-L215 VanDerWaalsContact C-N 3.33Å; P213-L215 PolarHBondContact O-N 2.88Å; L215-T219 HydrophobicContact CD2-CG2 3.54Å; L215-L220 HydrophobicContact CB-CD1 4.38Å | ||
| 216 | T | 56.3 | Low | 52.5 | Low | 91 Ų | 91 | 120.1 Ų | 120.1 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | trans | -54.4 | 144.6 | 176.8 | -29.5 | 0 | 0 | 0 | 0 | 107.5 | Y214 E218 T219 L220 | Y214-T216 PolarHBondContact O-N 3.1Å; T216-E218 PolarHBondContact O-N 3.18Å; T216-T219 WeakPolarHBondContact O-CA 3.27Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 3.48Å; T216-T219 PolarHBondContact O-OG1 2.98Å; T216-L220 PolarHBondContact O-N 3.35Å | ||
| 217 | A | 52.1 | Low | 52.8 | Low | 81 Ų | 81 | 123.2 Ų | 123.2 | 67% | 0.669 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -52.7 | -29.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L220 K221 | A217-L220 PolarHBondContact O-N 2.93Å; A217-K221 VanDerWaalsContact O-CB 3.27Å; A217-K221 WeakPolarHBondContact O-CB 3.45Å; A217-K221 PolarHBondContact O-N 3.38Å |
| 218 | E | 53.1 | Low | 53 | Low | 130 Ų | 130 | 125.6 Ų | 125.6 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -54.8 | -48.1 | 168.1 | -132 | 86.5 | -144 | 0 | 0 | 113.3 | T216 K221 N222 | T216-E218 PolarHBondContact O-N 3.18Å; E218-K221 PolarHBondContact O-N 2.77Å; E218-N222 VanDerWaalsContact O-CG 3.24Å; E218-N222 PolarHBondContact O-N 2.99Å; E218-N222 PolarHBondContact O-ND2 3.23Å |
| 219 | T | 53 | Low | 53.4 | Low | 53 Ų | 53 | 127.4 Ų | 127.4 | 33% | 0.325 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72 | -34.1 | -177.5 | -30.3 | 0 | 0 | 0 | 0 | 111.7 | L215 T216 R223 | L215-T219 HydrophobicContact CD2-CG2 3.54Å; T216-T219 WeakPolarHBondContact O-CA 3.27Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 3.48Å; T216-T219 PolarHBondContact O-OG1 2.98Å; T219-R223 PolarHBondContact O-N 3.42Å |
| 220 | L | 56.2 | Low | 53.9 | Low | 82 Ų | 82 | 126.1 Ų | 126.1 | 43% | 0.429 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.2 | -37.4 | 173.5 | -118.4 | 153.1 | 0 | 0 | 0 | 111.6 | L215 T216 A217 R223 M224 | L215-L220 HydrophobicContact CB-CD1 4.38Å; T216-L220 PolarHBondContact O-N 3.35Å; A217-L220 PolarHBondContact O-N 2.93Å; L220-R223 PolarHBondContact O-N 3.43Å; L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 2.93Å |
| 221 | K | 55.9 | Low | 54 | Low | 151 Ų | 151 | 126.9 Ų | 126.9 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.7 | -40.6 | 175.1 | -169.7 | -178.3 | 174.7 | -169.9 | 0 | 112.2 | A217 E218 R223 M224 G225 | A217-K221 VanDerWaalsContact O-CB 3.27Å; A217-K221 WeakPolarHBondContact O-CB 3.45Å; A217-K221 PolarHBondContact O-N 3.38Å; E218-K221 PolarHBondContact O-N 2.77Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.42Å; K221-M224 PolarHBondContact O-N 3.1Å; K221-G225 PolarHBondContact O-N 3.34Å; K221-G225 VanDerWaalsContact O-N 3.1Å |
| 222 | N | 58.3 | Low | 54.5 | Low | 103 Ų | 103 | 124.1 Ų | 124.1 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68 | -28.5 | 176.4 | -68 | -15.1 | 0 | 0 | 0 | 112.8 | E218 H226 | E218-N222 VanDerWaalsContact O-CG 3.24Å; E218-N222 PolarHBondContact O-N 2.99Å; E218-N222 PolarHBondContact O-ND2 3.23Å; N222-H226 PolarHBondContact O-ND1 3.05Å |
| 223 | R | 57 | Low | 55 | Low | 184 Ų | 184 | 121.3 Ų | 121.3 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78.6 | -32.6 | 172.9 | -76.7 | -173 | 177.9 | -168.9 | -0 | 113.9 | T219 L220 K221 G225 | T219-R223 PolarHBondContact O-N 3.42Å; L220-R223 PolarHBondContact O-N 3.43Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.42Å; R223-G225 VanDerWaalsContact C-N 3.34Å |
| 224 | M | 55.9 | Low | 54.9 | Low | 147 Ų | 147 | 129.9 Ų | 129.9 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -76.4 | -19.1 | 174.5 | -87.2 | -176.4 | -110.1 | 0 | 0 | 113.7 | L220 K221 | L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 2.93Å; K221-M224 PolarHBondContact O-N 3.1Å |
| 225 | G | 54.1 | Low | 55.3 | Low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -8.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K221 R223 | K221-G225 PolarHBondContact O-N 3.34Å; K221-G225 VanDerWaalsContact O-N 3.1Å; R223-G225 VanDerWaalsContact C-N 3.34Å |
| 226 | H | 55.5 | Low | 55.6 | Low | 154 Ų | 154 | 127.7 Ų | 127.7 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | trans | -94.2 | 108.2 | 175.7 | -75.5 | 72.2 | 0 | 0 | 0 | 109.2 | N222 | N222-H226 PolarHBondContact O-ND1 3.05Š| ||
| 227 | Q | 58.3 | Low | 55.6 | Low | 178 Ų | 178 | 129.7 Ų | 129.7 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 140.4 | 161.2 | -78.8 | -161.6 | -3.7 | 0 | 0 | 108.8 | ||
| 228 | P | 60.4 | Low | 55.8 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 142.2 | 168.7 | 25.6 | -31.2 | 0 | 0 | 0 | 108.8 | ||
| 229 | P | 62.1 | Low | 56 | Low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 143 | 175.2 | 24.8 | -32.4 | 0 | 0 | 0 | 109.2 | ||
| 230 | P | 62 | Low | 56.2 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145.8 | -179.8 | 24.9 | -32.6 | 0 | 0 | 0 | 109.9 | T232 | P230-T232 PolarHBondContact O-N 3.17Š|
| 231 | P | 48.7 | Very low | 56.2 | Low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122.9 | -179.2 | 24.9 | -32.3 | 0 | 0 | 0 | 109.4 | Q233 | P231-Q233 PolarHBondContact O-N 3.15Å; P231-Q233 VanDerWaalsContact O-N 3.15Å |
| 232 | T | 55 | Low | 56.2 | Low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 116.9 | 169.9 | -38.8 | 0 | 0 | 0 | 0 | 107.9 | P230 | P230-T232 PolarHBondContact O-N 3.17Š|
| 233 | Q | 56.3 | Low | 56 | Low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 116 | 164.6 | -80.3 | -117.4 | 6.1 | 0 | 0 | 107.7 | P231 | P231-Q233 PolarHBondContact O-N 3.15Å; P231-Q233 VanDerWaalsContact O-N 3.15Å |
| 234 | Q | 47.3 | Very low | 55.9 | Low | 246 Ų | 246 | 141 Ų | 141 | 100% | 1.15 | 79% | 0.787 | S | S | * | * | trans | 76.5 | 0 | 168.4 | -58.8 | -176.1 | -9.2 | 0 | 0 | 117.1 |
Retrieved 234 of 234 residues in 159.3 ms
(Link to these results)