| 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 | 34.7 | Very low | 36.9 | Very low | 247 Ų | 247 | 170.2 Ų | 170.2 | 100% | 1.217 | 88% | 0.882 | S | S | * | * | 0 | 120.2 | 0 | -100.3 | 166.7 | 157.9 | 0 | 0 | 107.7 | |||||
| 2 | F | 35.8 | Very low | 36.6 | Very low | 193 Ų | 193 | 161.9 Ų | 161.9 | 85% | 0.846 | 87% | 0.87 | S | S | * | * | trans | -61.8 | 140.7 | 174.2 | -89.4 | -101.3 | 0 | 0 | 0 | 110.6 | ||||
| 3 | C | 33.3 | Very low | 37 | Very low | 126 Ų | 126 | 156.3 Ų | 156.3 | 85% | 0.851 | 87% | 0.874 | S | S | * | * | trans | -147.8 | 104.8 | 146.2 | -130.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | C | 42.4 | Very low | 36.9 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 72% | 0.716 | 87% | 0.869 | S | S | * | * | trans | -78.6 | 123.6 | 165.2 | -59.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | L | 38.8 | Very low | 37.5 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 89% | 0.89 | 86% | 0.863 | S | S | * | * | trans | -148.7 | 123 | 154.7 | -71.8 | 172.6 | 0 | 0 | 0 | 103.8 | ||||
| 6 | G | 32.7 | Very low | 37.8 | Very low | 70 Ų | 70 | 151.8 Ų | 151.8 | 72% | 0.722 | 85% | 0.846 | S | S | * | * | cis | 155.8 | 111.4 | 17.1 | 0 | 0 | 0 | 0 | 0 | 102.1 | E8 | G6-E8 PolarHBondContact O-N 3.04Š| ||
| 7 | Y | 33.6 | Very low | 38 | Very low | 238 Ų | 238 | 155.2 Ų | 155.2 | 93% | 0.933 | 84% | 0.843 | S | S | * | * | trans | -77 | 114.9 | 175 | -72.9 | -96.7 | 0 | 0 | 0 | 107.6 | ||||
| 8 | E | 38.9 | Very low | 38.3 | Very low | 187 Ų | 187 | 154.8 Ų | 154.8 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -132.1 | 120.2 | 157.7 | -88.7 | -171.1 | 152 | 0 | 0 | 110 | G6 | G6-E8 PolarHBondContact O-N 3.04Š| ||
| 9 | W | 42.4 | Very low | 38.7 | Very low | 245 Ų | 245 | 149.8 Ų | 149.8 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -73.1 | 128.7 | 165.2 | -90.1 | 69.8 | 0 | 0 | 0 | 109 | ||||
| 10 | L | 34.9 | Very low | 39.2 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -137.3 | 126.6 | 153.1 | -95 | 168.9 | 0 | 0 | 0 | 111.3 | ||||
| 11 | S | 38.6 | Very low | 39.1 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -52.1 | 154.1 | 170.6 | -176.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 12 | G | 33.7 | Very low | 39.7 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 132.4 | 103.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 13 | G | 41.3 | Very low | 40.4 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 92% | 0.918 | 74% | 0.744 | S | S | * | * | trans | -65.6 | 138.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 14 | C | 35.9 | Very low | 40.9 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -144.1 | 129.1 | 140.9 | -158.5 | 0 | 0 | 0 | 0 | 108.5 | T16 | C14-T16 PolarHBondContact O-N 3.29Å; C14-T16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | K | 45.3 | Very low | 41 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 77% | 0.774 | 72% | 0.715 | S | S | * | * | trans | -66.5 | 105.3 | -179.5 | -70.3 | 168.2 | 176.3 | 168.5 | 0 | 109.4 | W17 | K15-W17 PolarHBondContact O-N 3.36Š| ||
| 16 | T | 41.9 | Very low | 41.1 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | trans | -92.8 | 90.8 | 161.7 | 55.9 | 0 | 0 | 0 | 0 | 108.6 | C14 H18 S19 | C14-T16 PolarHBondContact O-N 3.29Å; C14-T16 VanDerWaalsContact O-N 3.14Å; T16-H18 PolarHBondContact O-N 3.08Å; T16-S19 PolarHBondContact O-N 3.27Å; T16-S19 PolarHBondContact O-OG 3.48Å; T16-S19 VanDerWaalsContact O-OG 3.09Å; T16-S19 PolarHBondContact OG1-OG 3.05Å | ||
| 17 | W | 42.8 | Very low | 41.7 | Very low | 210 Ų | 210 | 129.8 Ų | 129.8 | 80% | 0.795 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -58.9 | -10.8 | 172.7 | -78.8 | 87.8 | 0 | 0 | 0 | 113.6 | K15 | K15-W17 PolarHBondContact O-N 3.36Å |
| 18 | H | 42 | Very low | 42.1 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.6 | -27 | 179.6 | -120.2 | -82.4 | 0 | 0 | 0 | 114.5 | T16 | T16-H18 PolarHBondContact O-N 3.08Å |
| 19 | S | 47.3 | Very low | 42.3 | Very low | 59 Ų | 59 | 122.7 Ų | 122.7 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -81.6 | -26.4 | -177.9 | 51.8 | 0 | 0 | 0 | 0 | 113 | T16 I23 | T16-S19 PolarHBondContact O-N 3.27Å; T16-S19 PolarHBondContact O-OG 3.48Å; T16-S19 VanDerWaalsContact O-OG 3.09Å; T16-S19 PolarHBondContact OG1-OG 3.05Å; S19-I23 WeakPolarHBondContact O-CD1 3.4Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.11Å; S19-I23 PolarHBondContact O-N 3.33Å; S19-I23 VanDerWaalsContact O-N 3.17Å |
| 20 | A | 47.7 | Very low | 42.5 | Very low | 52 Ų | 52 | 118.8 Ų | 118.8 | 43% | 0.43 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -70.7 | -33 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N24 | A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.02Å |
| 21 | W | 37.8 | Very low | 43 | Very low | 185 Ų | 185 | 118.8 Ų | 118.8 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68 | -48 | 176.5 | -161.8 | 59.8 | 0 | 0 | 0 | 110.5 | I23 N24 T25 | W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.49Å; W21-N24 PolarHBondContact O-N 3.4Å; W21-N24 VanDerWaalsContact O-N 3.15Å; W21-T25 PolarHBondContact O-N 3.48Å; W21-T25 PolarHBondContact O-OG1 3.01Å |
| 22 | V | 47.5 | Very low | 43.4 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -62.5 | -36.2 | 179 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | L26 | V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.32Å; V22-L26 VanDerWaalsContact O-N 3.08Å |
| 23 | I | 49.6 | Very low | 43.7 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.4 | -37.2 | 176.8 | -64.4 | 166.3 | 0 | 0 | 0 | 111.2 | S19 W21 L26 A27 | S19-I23 WeakPolarHBondContact O-CD1 3.4Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.11Å; S19-I23 PolarHBondContact O-N 3.33Å; S19-I23 VanDerWaalsContact O-N 3.17Å; W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.49Å; I23-L26 PolarHBondContact O-N 3.46Å; I23-A27 WeakPolarHBondContact O-CB 3.42Å; I23-A27 PolarHBondContact O-N 3.18Å |
| 24 | N | 44.2 | Very low | 44.3 | Very low | 113 Ų | 113 | 126 Ų | 126 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.2 | -34.4 | 175.6 | -81.9 | -24.3 | 0 | 0 | 0 | 112.6 | A20 W21 L26 A27 D28 | A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.02Å; W21-N24 PolarHBondContact O-N 3.4Å; W21-N24 VanDerWaalsContact O-N 3.15Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.1Å; N24-A27 PolarHBondContact O-N 3.06Å; N24-D28 WeakPolarHBondContact O-CB 3.19Å; N24-D28 PolarHBondContact O-N 3.39Å |
| 25 | T | 44.7 | Very low | 44.7 | Very low | 59 Ų | 59 | 127.6 Ų | 127.6 | 36% | 0.362 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.8 | -31.8 | 173.9 | -34.2 | 0 | 0 | 0 | 0 | 111.6 | W21 H29 | W21-T25 PolarHBondContact O-N 3.48Å; W21-T25 PolarHBondContact O-OG1 3.01Å; T25-H29 PolarHBondContact O-N 3.36Å |
| 26 | L | 41.2 | Very low | 44.7 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 63% | 0.634 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.6 | -34.5 | 174 | -168.7 | 68 | 0 | 0 | 0 | 112.5 | V22 I23 N24 | V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.32Å; V22-L26 VanDerWaalsContact O-N 3.08Å; I23-L26 PolarHBondContact O-N 3.46Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.1Å |
| 27 | A | 45.1 | Very low | 45 | Very low | 59 Ų | 59 | 127.1 Ų | 127.1 | 49% | 0.488 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.4 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | I23 N24 H29 H30 | I23-A27 WeakPolarHBondContact O-CB 3.42Å; I23-A27 PolarHBondContact O-N 3.18Å; N24-A27 PolarHBondContact O-N 3.06Å; A27-H29 VanDerWaalsContact C-N 3.32Å; A27-H30 PolarHBondContact O-N 2.92Å |
| 28 | D | 41.9 | Very low | 45 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.4 | -18.2 | -179 | -155 | 52.7 | 0 | 0 | 0 | 113.1 | N24 | N24-D28 WeakPolarHBondContact O-CB 3.19Å; N24-D28 PolarHBondContact O-N 3.39Å |
| 29 | H | 43.3 | Very low | 45.8 | Very low | 147 Ų | 147 | 116.8 Ų | 116.8 | 68% | 0.681 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -85.3 | -4.9 | 174.6 | -81.8 | 14.5 | 0 | 0 | 0 | 114.8 | T25 A27 H31 | T25-H29 PolarHBondContact O-N 3.36Å; A27-H29 VanDerWaalsContact C-N 3.32Å; H29-H31 VanDerWaalsContact C-N 3.3Å; H29-H31 PolarHBondContact O-N 3.17Å |
| 30 | H | 46.6 | Very low | 46.3 | Very low | 163 Ų | 163 | 118.7 Ų | 118.7 | 76% | 0.755 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -85.4 | 4.2 | 175.5 | -92.7 | -72.4 | 0 | 0 | 0 | 114.5 | A27 | A27-H30 PolarHBondContact O-N 2.92Š|
| 31 | H | 45.4 | Very low | 46.8 | Very low | 170 Ų | 170 | 125 Ų | 125 | 79% | 0.787 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -106.5 | 11.5 | -173.7 | -120.6 | -51.7 | 0 | 0 | 0 | 116.8 | H29 | H29-H31 VanDerWaalsContact C-N 3.3Å; H29-H31 PolarHBondContact O-N 3.17Å |
| 32 | R | 46.2 | Very low | 48.1 | Very low | 240 Ų | 240 | 121 Ų | 121 | 91% | 0.906 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -143.3 | 119.9 | 176.1 | -92.8 | -178.1 | 151.2 | -177.2 | -6.7 | 113.4 | ||
| 33 | G | 40.7 | Very low | 48.8 | Very low | 59 Ų | 59 | 123.6 Ų | 123.6 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | trans | 100.5 | 85.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 34 | T | 54.1 | Low | 49.6 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 81% | 0.81 | 66% | 0.657 | S | S | * | * | 78.8 | 91.1 | 99.7 | 52.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 35 | D | 44.4 | Very low | 50.6 | Low | 155 Ų | 155 | 121.1 Ų | 121.1 | 83% | 0.829 | 65% | 0.65 | S | S | * | * | trans | -131.8 | 102.6 | 158.4 | -74.9 | -43.8 | 0 | 0 | 0 | 110 | G37 | D35-G37 VanDerWaalsContact C-N 3.31Å; D35-G37 PolarHBondContact O-N 3.4Å | ||
| 36 | F | 44 | Very low | 51.5 | Low | 221 Ų | 221 | 123.7 Ų | 123.7 | 97% | 0.969 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -3 | 63.4 | 152.3 | -79.1 | -94.9 | 0 | 0 | 0 | 118.7 | ||
| 37 | G | 48.3 | Very low | 52.4 | Low | 44 Ų | 44 | 120.3 Ų | 120.3 | 45% | 0.454 | 65% | 0.65 | S | S | . | * | trans | -163.4 | 27.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | D35 | D35-G37 VanDerWaalsContact C-N 3.31Å; D35-G37 PolarHBondContact O-N 3.4Å | ||
| 38 | G | 42.7 | Very low | 53.1 | Low | 54 Ų | 54 | 124.6 Ų | 124.6 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | trans | -53 | 154.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P40 W41 | G38-P40 WeakPolarHBondContact O-CD 3.34Å; G38-W41 PolarHBondContact O-N 3.01Å | ||
| 39 | S | 58.3 | Low | 54.2 | Low | 89 Ų | 89 | 120.7 Ų | 120.7 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.6 | -28.1 | -175.2 | -63.2 | 0 | 0 | 0 | 0 | 119.4 | H43 | S39-H43 PolarHBondContact O-CD2 3.45Å; S39-H43 PolarHBondContact O-N 3.47Å |
| 40 | P | 59.6 | Low | 55.3 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.4 | -39 | 176.8 | -26.8 | 36.6 | 0 | 0 | 0 | 114.8 | G38 H43 V44 | G38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-H43 PolarHBondContact O-N 2.91Å; P40-V44 WeakPolarHBondContact O-CG2 3.18Å; P40-V44 PolarHBondContact O-N 3.22Å |
| 41 | W | 58.2 | Low | 56.5 | Low | 185 Ų | 185 | 113.3 Ų | 113.3 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73 | -34.8 | -173.7 | -120.7 | 80.1 | 0 | 0 | 0 | 112.4 | G38 V44 I45 | G38-W41 PolarHBondContact O-N 3.01Å; W41-V44 PolarHBondContact O-N 3.33Å; W41-I45 HydrophobicContact CE3-CD1 3.5Å; W41-I45 VanDerWaalsContact CE3-CD1 3.5Å; W41-I45 HydrophobicContact CE3-CG1 3.9Å; W41-I45 HydrophobicContact CZ3-CD1 3.93Å; W41-I45 HydrophobicContact CZ3-CG1 4.16Å; W41-I45 VanDerWaalsContact O-CG1 3.24Å; W41-I45 WeakPolarHBondContact O-CG1 3.33Å; W41-I45 PolarHBondContact O-N 3.07Å |
| 42 | L | 64 | Low | 58.2 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.8 | -38.5 | 172.8 | -71 | 171.8 | 0 | 0 | 0 | 112 | V44 I45 I46 | L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 PolarHBondContact O-N 3.05Å; L42-I45 PolarHBondContact O-N 3.35Å; L42-I46 WeakPolarHBondContact O-CB 3.31Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 3.48Å |
| 43 | H | 62.1 | Low | 59.9 | Low | 144 Ų | 144 | 104.7 Ų | 104.7 | 67% | 0.667 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.4 | -40.7 | 171.5 | -95.1 | -85.9 | 0 | 0 | 0 | 111.7 | S39 P40 I46 A47 | S39-H43 PolarHBondContact O-CD2 3.45Å; S39-H43 PolarHBondContact O-N 3.47Å; P40-H43 PolarHBondContact O-N 2.91Å; H43-I46 PolarHBondContact O-N 3.08Å; H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.24Å |
| 44 | V | 66.3 | Low | 61.8 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.4 | -45.6 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | P40 W41 L42 I46 A47 F48 | P40-V44 WeakPolarHBondContact O-CG2 3.18Å; P40-V44 PolarHBondContact O-N 3.22Å; W41-V44 PolarHBondContact O-N 3.33Å; L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 PolarHBondContact O-N 3.05Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.89Å; V44-A47 PolarHBondContact O-N 2.8Å; V44-F48 WeakPolarHBondContact O-CB 3.32Å; V44-F48 PolarHBondContact O-N 2.9Å |
| 45 | I | 66.1 | Low | 63.3 | Low | 89 Ų | 89 | 103.8 Ų | 103.8 | 46% | 0.456 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -30 | 178.7 | -68.3 | 162 | 0 | 0 | 0 | 112.4 | W41 L42 P49 | W41-I45 HydrophobicContact CE3-CD1 3.5Å; W41-I45 VanDerWaalsContact CE3-CD1 3.5Å; W41-I45 HydrophobicContact CE3-CG1 3.9Å; W41-I45 HydrophobicContact CZ3-CD1 3.93Å; W41-I45 HydrophobicContact CZ3-CG1 4.16Å; W41-I45 VanDerWaalsContact O-CG1 3.24Å; W41-I45 WeakPolarHBondContact O-CG1 3.33Å; W41-I45 PolarHBondContact O-N 3.07Å; L42-I45 PolarHBondContact O-N 3.35Å; I45-P49 WeakPolarHBondContact O-CD 3.48Å; I45-P49 WeakPolarHBondContact O-CG 3.47Å |
| 46 | I | 62.6 | Low | 65.4 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 59% | 0.585 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -91 | -36.4 | 179.2 | -64.1 | 166.9 | 0 | 0 | 0 | 112 | L42 H43 V44 P49 T50 | L42-I46 WeakPolarHBondContact O-CB 3.31Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 3.48Å; H43-I46 PolarHBondContact O-N 3.08Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.89Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; I46-T50 PolarHBondContact O-OG1 3.45Å; I46-T50 VanDerWaalsContact O-OG1 3.12Å |
| 47 | A | 60.1 | Low | 67.4 | Low | 49 Ų | 49 | 93.4 Ų | 93.4 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | H43 V44 T50 S51 | H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.24Å; V44-A47 PolarHBondContact O-N 2.8Å; A47-T50 PolarHBondContact O-N 2.8Å; A47-T50 VanDerWaalsContact O-N 3.12Å; A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 2.96Å; A47-S51 PolarHBondContact O-OG 2.91Å; A47-S51 VanDerWaalsContact O-OG 3.07Å |
| 48 | F | 59.7 | Low | 69.2 | Low | 149 Ų | 149 | 96.7 Ų | 96.7 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | -178.8 | -159.9 | -90 | 0 | 0 | 0 | 112.8 | V44 T50 S51 Y52 | V44-F48 WeakPolarHBondContact O-CB 3.32Å; V44-F48 PolarHBondContact O-N 2.9Å; F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.96Å; F48-S51 PolarHBondContact O-N 3.39Å; F48-Y52 WeakPolarHBondContact O-CD1 3.49Å; F48-Y52 PolarHBondContact O-N 2.9Å |
| 49 | P | 65.9 | Low | 71.6 | Confident | 47 Ų | 47 | 102.1 Ų | 102.1 | 31% | 0.305 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -56.2 | -41.6 | 170 | -31.1 | 35.9 | 0 | 0 | 0 | 115.6 | I45 I46 Y52 K53 | I45-P49 WeakPolarHBondContact O-CD 3.48Å; I45-P49 WeakPolarHBondContact O-CG 3.47Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; P49-Y52 HydrophobicContact CB-CD1 4.28Å; P49-Y52 HydrophobicContact CB-CE1 3.85Å; P49-Y52 WeakPolarHBondContact O-CD1 3.13Å; P49-Y52 WeakPolarHBondContact O-CE1 3.37Å; P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.41Å; P49-K53 PolarHBondContact O-N 3.35Å |
| 50 | T | 65.3 | Low | 73.2 | Confident | 86 Ų | 86 | 101.6 Ų | 101.6 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.8 | -42.4 | -175.4 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | I46 A47 F48 K53 V54 | I46-T50 PolarHBondContact O-OG1 3.45Å; I46-T50 VanDerWaalsContact O-OG1 3.12Å; A47-T50 PolarHBondContact O-N 2.8Å; A47-T50 VanDerWaalsContact O-N 3.12Å; F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.96Å; T50-K53 PolarHBondContact O-N 3.45Å; T50-V54 WeakPolarHBondContact O-CG2 3.17Å; T50-V54 PolarHBondContact O-N 2.93Å |
| 51 | S | 72.6 | Confident | 74.7 | Confident | 69 Ų | 69 | 101.2 Ų | 101.2 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 176 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | A47 F48 K53 V54 V55 | A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 2.96Å; A47-S51 PolarHBondContact O-OG 2.91Å; A47-S51 VanDerWaalsContact O-OG 3.07Å; F48-S51 PolarHBondContact O-N 3.39Å; S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 3.49Å; S51-V54 PolarHBondContact O-N 3.24Å; S51-V55 WeakPolarHBondContact O-CG2 3.09Å; S51-V55 PolarHBondContact O-N 3.5Å |
| 52 | Y | 81.5 | Confident | 76.3 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 178.8 | 89.4 | -112.7 | 0 | 0 | 0 | 111.3 | F48 P49 V54 V55 I56 | F48-Y52 WeakPolarHBondContact O-CD1 3.49Å; F48-Y52 PolarHBondContact O-N 2.9Å; P49-Y52 HydrophobicContact CB-CD1 4.28Å; P49-Y52 HydrophobicContact CB-CE1 3.85Å; P49-Y52 WeakPolarHBondContact O-CD1 3.13Å; P49-Y52 WeakPolarHBondContact O-CE1 3.37Å; Y52-V54 VanDerWaalsContact C-N 3.29Å; Y52-V54 PolarHBondContact O-N 3.46Å; Y52-V55 PolarHBondContact O-N 3.44Å; Y52-I56 HydrophobicContact CD2-CD1 3.54Å; Y52-I56 HydrophobicContact CD2-CG1 4.34Å; Y52-I56 HydrophobicContact CE2-CD1 4.01Å; Y52-I56 WeakPolarHBondContact O-CB 3.47Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.5Å; Y52-I56 PolarHBondContact O-N 2.96Å |
| 53 | K | 80.9 | Confident | 77.6 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.8 | -77.6 | -179.8 | -179.7 | 175.8 | 0 | 111.2 | P49 T50 S51 T57 | P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.41Å; P49-K53 PolarHBondContact O-N 3.35Å; T50-K53 PolarHBondContact O-N 3.45Å; S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 3.49Å; K53-T57 VanDerWaalsContact O-CG2 3.28Å; K53-T57 WeakPolarHBondContact O-CG2 3.4Å; K53-T57 PolarHBondContact O-N 2.99Å; K53-T57 PolarHBondContact O-OG1 3.4Å |
| 54 | V | 82 | Confident | 79 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | T50 S51 Y52 T57 L58 | T50-V54 WeakPolarHBondContact O-CG2 3.17Å; T50-V54 PolarHBondContact O-N 2.93Å; S51-V54 PolarHBondContact O-N 3.24Å; Y52-V54 VanDerWaalsContact C-N 3.29Å; Y52-V54 PolarHBondContact O-N 3.46Å; V54-T57 WeakPolarHBondContact CA-OG1 3.31Å; V54-T57 PolarHBondContact O-N 3.07Å; V54-T57 PolarHBondContact O-OG1 2.89Å; V54-L58 HydrophobicContact CG1-CD1 3.91Å; V54-L58 HydrophobicContact CG1-CG 4.41Å; V54-L58 WeakPolarHBondContact O-CB 3.49Å; V54-L58 VanDerWaalsContact O-CG 3.23Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 2.83Å |
| 55 | V | 85.2 | Confident | 80 | Confident | 96 Ų | 96 | 101.1 Ų | 101.1 | 58% | 0.582 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 178 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | S51 Y52 L58 W59 | S51-V55 WeakPolarHBondContact O-CG2 3.09Å; S51-V55 PolarHBondContact O-N 3.5Å; Y52-V55 PolarHBondContact O-N 3.44Å; V55-L58 PolarHBondContact O-N 2.9Å; V55-W59 WeakPolarHBondContact O-CB 3.41Å; V55-W59 PolarHBondContact O-N 3.34Å |
| 56 | I | 87.4 | Confident | 80.9 | Confident | 78 Ų | 78 | 99 Ų | 99 | 40% | 0.4 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 177.4 | -69.1 | 178.5 | 0 | 0 | 0 | 110.9 | Y52 W59 I60 | Y52-I56 HydrophobicContact CD2-CD1 3.54Å; Y52-I56 HydrophobicContact CD2-CG1 4.34Å; Y52-I56 HydrophobicContact CE2-CD1 4.01Å; Y52-I56 WeakPolarHBondContact O-CB 3.47Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.5Å; Y52-I56 PolarHBondContact O-N 2.96Å; I56-W59 PolarHBondContact O-N 3.3Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.38Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.42Å |
| 57 | T | 86 | Confident | 82 | Confident | 80 Ų | 80 | 97.9 Ų | 97.9 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 178.6 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | K53 V54 I60 V61 | K53-T57 VanDerWaalsContact O-CG2 3.28Å; K53-T57 WeakPolarHBondContact O-CG2 3.4Å; K53-T57 PolarHBondContact O-N 2.99Å; K53-T57 PolarHBondContact O-OG1 3.4Å; V54-T57 WeakPolarHBondContact CA-OG1 3.31Å; V54-T57 PolarHBondContact O-N 3.07Å; V54-T57 PolarHBondContact O-OG1 2.89Å; T57-I60 PolarHBondContact O-N 3.36Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 2.72Å |
| 58 | L | 87.5 | Confident | 83.3 | Confident | 112 Ų | 112 | 100.6 Ų | 100.6 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 173.8 | -73.2 | 172.2 | 0 | 0 | 0 | 111.8 | V54 V55 V61 Y62 | V54-L58 HydrophobicContact CG1-CD1 3.91Å; V54-L58 HydrophobicContact CG1-CG 4.41Å; V54-L58 WeakPolarHBondContact O-CB 3.49Å; V54-L58 VanDerWaalsContact O-CG 3.23Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 2.83Å; V55-L58 PolarHBondContact O-N 2.9Å; L58-V61 PolarHBondContact O-N 2.79Å; L58-Y62 VanDerWaalsContact O-CB 3.27Å; L58-Y62 WeakPolarHBondContact O-CB 3.34Å; L58-Y62 PolarHBondContact O-N 3.35Å |
| 59 | W | 91.6 | Very high | 84.2 | Confident | 168 Ų | 168 | 101 Ų | 101 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 177.2 | -175.9 | 57.3 | 0 | 0 | 0 | 112.2 | V55 I56 Y62 L63 | V55-W59 WeakPolarHBondContact O-CB 3.41Å; V55-W59 PolarHBondContact O-N 3.34Å; I56-W59 PolarHBondContact O-N 3.3Å; W59-Y62 PolarHBondContact O-N 3.21Å; W59-L63 WeakPolarHBondContact O-CB 3.42Å; W59-L63 PolarHBondContact O-N 3.44Å |
| 60 | I | 91.7 | Very high | 84.6 | Confident | 79 Ų | 79 | 103 Ų | 103 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.6 | -69.2 | 167.3 | 0 | 0 | 0 | 110.7 | I56 T57 Y62 L63 W64 | I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.38Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.42Å; T57-I60 PolarHBondContact O-N 3.36Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 3.01Å; I60-L63 PolarHBondContact O-N 3.35Å; I60-W64 WeakPolarHBondContact O-CB 3.27Å; I60-W64 VanDerWaalsContact O-CD1 3.32Å; I60-W64 PolarHBondContact O-N 2.98Å |
| 61 | V | 92.6 | Very high | 85.1 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | T57 L58 L63 W64 V65 | T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 2.72Å; L58-V61 PolarHBondContact O-N 2.79Å; V61-L63 PolarHBondContact O-N 3.09Å; V61-W64 PolarHBondContact O-N 2.95Å; V61-V65 HydrophobicContact CG1-CG2 4.3Å; V61-V65 WeakPolarHBondContact O-CG2 3.27Å; V61-V65 PolarHBondContact O-N 3.4Å |
| 62 | Y | 91.2 | Very high | 84.8 | Confident | 165 Ų | 165 | 104.8 Ų | 104.8 | 65% | 0.647 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 177.2 | -177.5 | -99.8 | 0 | 0 | 0 | 112.5 | L58 W59 I60 W64 V65 S66 | L58-Y62 VanDerWaalsContact O-CB 3.27Å; L58-Y62 WeakPolarHBondContact O-CB 3.34Å; L58-Y62 PolarHBondContact O-N 3.35Å; W59-Y62 PolarHBondContact O-N 3.21Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 3.01Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-V65 PolarHBondContact O-N 3.33Å; Y62-S66 VanDerWaalsContact O-CB 3.29Å; Y62-S66 WeakPolarHBondContact O-CB 3.36Å; Y62-S66 PolarHBondContact O-N 3.16Å; Y62-S66 PolarHBondContact O-OG 3.11Å |
| 63 | L | 92.4 | Very high | 83.6 | Confident | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 175.1 | -174.1 | 65.7 | 0 | 0 | 0 | 111.1 | W59 I60 V61 S66 L67 | W59-L63 WeakPolarHBondContact O-CB 3.42Å; W59-L63 PolarHBondContact O-N 3.44Å; I60-L63 PolarHBondContact O-N 3.35Å; V61-L63 PolarHBondContact O-N 3.09Å; L63-S66 PolarHBondContact O-N 2.87Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 PolarHBondContact O-N 2.92Å |
| 64 | W | 90.1 | Very high | 82.4 | Confident | 165 Ų | 165 | 107.7 Ų | 107.7 | 63% | 0.625 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 176.6 | -93.9 | 89.7 | 0 | 0 | 0 | 112.9 | I60 V61 Y62 S66 L67 L68 | I60-W64 WeakPolarHBondContact O-CB 3.27Å; I60-W64 VanDerWaalsContact O-CD1 3.32Å; I60-W64 PolarHBondContact O-N 2.98Å; V61-W64 PolarHBondContact O-N 2.95Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; W64-S66 VanDerWaalsContact C-N 3.35Å; W64-L67 PolarHBondContact O-N 3.31Å; W64-L68 VanDerWaalsContact O-CB 3.24Å; W64-L68 WeakPolarHBondContact O-CB 3.34Å; W64-L68 PolarHBondContact O-N 3.46Å |
| 65 | V | 87.4 | Confident | 80.8 | Confident | 85 Ų | 85 | 111.6 Ų | 111.6 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V61 Y62 L68 K69 | V61-V65 HydrophobicContact CG1-CG2 4.3Å; V61-V65 WeakPolarHBondContact O-CG2 3.27Å; V61-V65 PolarHBondContact O-N 3.4Å; Y62-V65 PolarHBondContact O-N 3.33Å; V65-L68 PolarHBondContact O-N 3.42Å; V65-K69 VanDerWaalsContact O-CB 3.24Å; V65-K69 WeakPolarHBondContact O-CB 3.24Å; V65-K69 PolarHBondContact O-N 2.99Å |
| 66 | S | 85.2 | Confident | 79.2 | Confident | 45 Ų | 45 | 111.7 Ų | 111.7 | 32% | 0.315 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.1 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | Y62 L63 W64 K69 T70 | Y62-S66 VanDerWaalsContact O-CB 3.29Å; Y62-S66 WeakPolarHBondContact O-CB 3.36Å; Y62-S66 PolarHBondContact O-N 3.16Å; Y62-S66 PolarHBondContact O-OG 3.11Å; L63-S66 PolarHBondContact O-N 2.87Å; W64-S66 VanDerWaalsContact C-N 3.35Å; S66-K69 PolarHBondContact O-N 3.46Å; S66-T70 WeakPolarHBondContact O-CG2 3.27Å; S66-T70 PolarHBondContact O-N 2.77Å; S66-T70 PolarHBondContact O-OG1 3.48Å |
| 67 | L | 86.1 | Confident | 77.5 | Confident | 89 Ų | 89 | 110.9 Ų | 110.9 | 47% | 0.466 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.5 | -167.7 | 101.4 | 0 | 0 | 0 | 111.3 | L63 W64 K69 T70 I71 | L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 PolarHBondContact O-N 2.92Å; W64-L67 PolarHBondContact O-N 3.31Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.38Å; L67-T70 PolarHBondContact O-N 2.91Å; L67-T70 PolarHBondContact O-OG1 2.93Å; L67-I71 HydrophobicContact CD2-CD1 3.82Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.26Å |
| 68 | L | 86 | Confident | 75.9 | Confident | 106 Ų | 106 | 113 Ų | 113 | 56% | 0.555 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -38.2 | 179.6 | -158.6 | 72.3 | 0 | 0 | 0 | 111 | W64 V65 I71 F72 | W64-L68 VanDerWaalsContact O-CB 3.24Å; W64-L68 WeakPolarHBondContact O-CB 3.34Å; W64-L68 PolarHBondContact O-N 3.46Å; V65-L68 PolarHBondContact O-N 3.42Å; L68-I71 PolarHBondContact O-N 3.37Å; L68-F72 VanDerWaalsContact O-CB 3.27Å; L68-F72 WeakPolarHBondContact O-CB 3.32Å; L68-F72 PolarHBondContact O-N 3.4Å |
| 69 | K | 78.9 | Confident | 74.1 | Confident | 157 Ų | 157 | 113.5 Ų | 113.5 | 68% | 0.683 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -43.1 | 176.8 | -172.4 | 150 | 177.6 | 156.6 | 0 | 111.8 | V65 S66 L67 F72 W73 | V65-K69 VanDerWaalsContact O-CB 3.24Å; V65-K69 WeakPolarHBondContact O-CB 3.24Å; V65-K69 PolarHBondContact O-N 2.99Å; S66-K69 PolarHBondContact O-N 3.46Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.38Å; K69-F72 PolarHBondContact O-N 2.96Å; K69-W73 VanDerWaalsContact O-CB 3.27Å; K69-W73 WeakPolarHBondContact O-CB 3.48Å; K69-W73 PolarHBondContact O-N 2.76Å |
| 70 | T | 74.1 | Confident | 72.3 | Confident | 90 Ų | 90 | 108.2 Ų | 108.2 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 174.6 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | S66 L67 S74 | S66-T70 WeakPolarHBondContact O-CG2 3.27Å; S66-T70 PolarHBondContact O-N 2.77Å; S66-T70 PolarHBondContact O-OG1 3.48Å; L67-T70 PolarHBondContact O-N 2.91Å; L67-T70 PolarHBondContact O-OG1 2.93Å; T70-S74 PolarHBondContact O-N 3.34Å; T70-S74 VanDerWaalsContact O-N 3.09Å |
| 71 | I | 75.9 | Confident | 70.4 | Confident | 74 Ų | 74 | 108 Ų | 108 | 38% | 0.379 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.3 | -44.6 | 177.7 | -66.5 | 166.3 | 0 | 0 | 0 | 111.1 | L67 L68 S74 R75 | L67-I71 HydrophobicContact CD2-CD1 3.82Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.26Å; L68-I71 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.37Å; I71-R75 PolarHBondContact O-N 2.87Å |
| 72 | F | 67.6 | Low | 68.6 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 52% | 0.518 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.8 | -34.5 | -176.7 | -148 | -101 | 0 | 0 | 0 | 112.2 | L68 K69 S74 R75 N76 | L68-F72 VanDerWaalsContact O-CB 3.27Å; L68-F72 WeakPolarHBondContact O-CB 3.32Å; L68-F72 PolarHBondContact O-N 3.4Å; K69-F72 PolarHBondContact O-N 2.96Å; F72-S74 VanDerWaalsContact C-N 3.35Å; F72-R75 PolarHBondContact O-N 2.87Å; F72-R75 VanDerWaalsContact O-N 3.16Å; F72-N76 WeakPolarHBondContact CD1-ND2 3.24Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.32Å; F72-N76 PolarHBondContact O-N 3.49Å |
| 73 | W | 55.3 | Low | 67.1 | Low | 213 Ų | 213 | 103.2 Ų | 103.2 | 81% | 0.807 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.2 | -35.4 | 174.1 | -148.6 | 25.2 | 0 | 0 | 0 | 111.8 | K69 R75 G77 | K69-W73 VanDerWaalsContact O-CB 3.27Å; K69-W73 WeakPolarHBondContact O-CB 3.48Å; K69-W73 PolarHBondContact O-N 2.76Å; W73-R75 PolarHBondContact O-N 3.39Å; W73-G77 PolarHBondContact O-N 2.85Å |
| 74 | S | 55.5 | Low | 65.4 | Low | 77 Ų | 77 | 103.4 Ų | 103.4 | 54% | 0.538 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.4 | -24.8 | 171.7 | 83.9 | 0 | 0 | 0 | 0 | 113.7 | T70 I71 F72 | T70-S74 PolarHBondContact O-N 3.34Å; T70-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.37Å; F72-S74 VanDerWaalsContact C-N 3.35Å |
| 75 | R | 50.2 | Low | 63.8 | Low | 159 Ų | 159 | 102.4 Ų | 102.4 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -86.2 | -41.9 | -179.9 | -167 | 116.9 | 67.9 | 176.3 | 1.2 | 112.1 | I71 F72 W73 G77 | I71-R75 PolarHBondContact O-N 2.87Å; F72-R75 PolarHBondContact O-N 2.87Å; F72-R75 VanDerWaalsContact O-N 3.16Å; W73-R75 PolarHBondContact O-N 3.39Å; R75-G77 PolarHBondContact O-N 3.47Å |
| 76 | N | 50.8 | Low | 62.3 | Low | 98 Ų | 98 | 103.7 Ų | 103.7 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -79.5 | -14.2 | -174.5 | -72.9 | 8.4 | 0 | 0 | 0 | 114.3 | F72 | F72-N76 WeakPolarHBondContact CD1-ND2 3.24Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.32Å; F72-N76 PolarHBondContact O-N 3.49Å |
| 77 | G | 52.1 | Low | 61.2 | Low | 61 Ų | 61 | 109.6 Ų | 109.6 | 63% | 0.629 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | W73 R75 | W73-G77 PolarHBondContact O-N 2.85Å; R75-G77 PolarHBondContact O-N 3.47Å |
| 78 | H | 51.1 | Low | 59.8 | Low | 124 Ų | 124 | 108.1 Ų | 108.1 | 57% | 0.574 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -107.6 | -3.3 | -169.6 | -91.7 | -43.1 | 0 | 0 | 0 | 116.2 | T82 | H78-T82 PolarHBondContact O-OG1 2.9Š|
| 79 | D | 49.8 | Very low | 58.4 | Low | 123 Ų | 123 | 110.6 Ų | 110.6 | 66% | 0.658 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -13.4 | -171.9 | -73 | -18 | 0 | 0 | 0 | 114.2 | ||
| 80 | G | 54.3 | Low | 57.3 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 60% | 0.598 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -33.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 81 | S | 52.5 | Low | 56.5 | Low | 74 Ų | 74 | 110.4 Ų | 110.4 | 52% | 0.517 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -86.8 | -30.1 | -171 | 177.8 | 0 | 0 | 0 | 0 | 113.4 | Q85 | S81-Q85 WeakPolarHBondContact O-CG 3.21Å; S81-Q85 PolarHBondContact O-N 2.86Å |
| 82 | T | 55.3 | Low | 55.7 | Low | 74 Ų | 74 | 111.8 Ų | 111.8 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.5 | -32.2 | -177.4 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | H78 Q86 | H78-T82 PolarHBondContact O-OG1 2.9Å; T82-Q86 WeakPolarHBondContact O-CB 3.27Å; T82-Q86 PolarHBondContact O-N 3.42Å |
| 83 | D | 57.8 | Low | 55.2 | Low | 80 Ų | 80 | 112.8 Ų | 112.8 | 43% | 0.428 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.4 | -40 | 176.4 | -167.5 | 63.9 | 0 | 0 | 0 | 112.1 | Q86 R87 | D83-Q86 PolarHBondContact O-N 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.3Å; D83-R87 PolarHBondContact O-N 2.94Å; D83-R87 IonicContact OD2-CZ 3.38Å; D83-R87 IonicContact OD2-NE 3.62Å; D83-R87 IonicContact OD2-NH2 2.77Å; D83-R87 PolarHBondContact OD2-NH2 2.9Å |
| 84 | V | 58.1 | Low | 55.3 | Low | 101 Ų | 101 | 112.5 Ų | 112.5 | 61% | 0.612 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.5 | -44.3 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | Q86 R87 A88 | V84-Q86 PolarHBondContact O-N 3.32Å; V84-R87 PolarHBondContact O-N 3.43Å; V84-A88 VanDerWaalsContact O-CB 3.32Å; V84-A88 WeakPolarHBondContact O-CB 3.3Å; V84-A88 PolarHBondContact O-N 3.39Å |
| 85 | Q | 55 | Low | 55.1 | Low | 145 Ų | 145 | 118.1 Ų | 118.1 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.3 | -41.1 | 175.4 | -73.7 | -92.1 | -41.7 | 0 | 0 | 111.5 | S81 W89 | S81-Q85 WeakPolarHBondContact O-CG 3.21Å; S81-Q85 PolarHBondContact O-N 2.86Å; Q85-W89 VanDerWaalsContact O-CB 3.28Å; Q85-W89 WeakPolarHBondContact O-CB 3.21Å; Q85-W89 PolarHBondContact O-N 2.79Å |
| 86 | Q | 57.7 | Low | 55 | Low | 111 Ų | 111 | 115.5 Ų | 115.5 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.3 | -32.1 | -179.7 | -167.1 | 149.1 | -54.2 | 0 | 0 | 112.7 | T82 D83 V84 R90 | T82-Q86 WeakPolarHBondContact O-CB 3.27Å; T82-Q86 PolarHBondContact O-N 3.42Å; D83-Q86 PolarHBondContact O-N 3.24Å; V84-Q86 PolarHBondContact O-N 3.32Å; Q86-R90 WeakPolarHBondContact O-CB 3.45Å; Q86-R90 WeakPolarHBondContact O-CG 3.45Å; Q86-R90 PolarHBondContact O-N 2.82Å |
| 87 | R | 61.2 | Low | 55.1 | Low | 170 Ų | 170 | 116.6 Ų | 116.6 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.9 | -42 | 172.7 | -169.1 | 175.2 | -64.8 | -179.3 | 4.3 | 111.5 | D83 V84 W89 R90 S91 | D83-R87 WeakPolarHBondContact O-CB 3.3Å; D83-R87 PolarHBondContact O-N 2.94Å; D83-R87 IonicContact OD2-CZ 3.38Å; D83-R87 IonicContact OD2-NE 3.62Å; D83-R87 IonicContact OD2-NH2 2.77Å; D83-R87 PolarHBondContact OD2-NH2 2.9Å; V84-R87 PolarHBondContact O-N 3.43Å; R87-W89 VanDerWaalsContact C-N 3.35Å; R87-R90 PolarHBondContact O-N 3.22Å; R87-S91 PolarHBondContact O-N 3.42Å |
| 88 | A | 56.9 | Low | 55.2 | Low | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -41.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V84 S91 N92 | V84-A88 VanDerWaalsContact O-CB 3.32Å; V84-A88 WeakPolarHBondContact O-CB 3.3Å; V84-A88 PolarHBondContact O-N 3.39Å; A88-S91 PolarHBondContact O-N 3.44Å; A88-N92 PolarHBondContact O-N 2.95Å |
| 89 | W | 56.4 | Low | 55 | Low | 158 Ų | 158 | 116.3 Ų | 116.3 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -41.4 | 177.5 | -168.8 | 83.4 | 0 | 0 | 0 | 112.9 | Q85 R87 S91 N92 R93 | Q85-W89 VanDerWaalsContact O-CB 3.28Å; Q85-W89 WeakPolarHBondContact O-CB 3.21Å; Q85-W89 PolarHBondContact O-N 2.79Å; R87-W89 VanDerWaalsContact C-N 3.35Å; W89-S91 VanDerWaalsContact C-N 3.31Å; W89-S91 PolarHBondContact O-N 2.84Å; W89-N92 PolarHBondContact O-N 3.48Å; W89-R93 PolarHBondContact O-N 2.86Å |
| 90 | R | 56.5 | Low | 54.9 | Low | 164 Ų | 164 | 120 Ų | 120 | 62% | 0.619 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.1 | -34.8 | 174 | -81.2 | -172.1 | -178.8 | 159.4 | 1 | 112.7 | Q86 R87 | Q86-R90 WeakPolarHBondContact O-CB 3.45Å; Q86-R90 WeakPolarHBondContact O-CG 3.45Å; Q86-R90 PolarHBondContact O-N 2.82Å; R87-R90 PolarHBondContact O-N 3.22Å |
| 91 | S | 57.1 | Low | 54.7 | Low | 79 Ų | 79 | 122.2 Ų | 122.2 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.1 | -40.2 | 177.1 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | R87 A88 W89 R93 R94 R95 | R87-S91 PolarHBondContact O-N 3.42Å; A88-S91 PolarHBondContact O-N 3.44Å; W89-S91 VanDerWaalsContact C-N 3.31Å; W89-S91 PolarHBondContact O-N 2.84Å; S91-R93 VanDerWaalsContact C-N 3.35Å; S91-R93 PolarHBondContact O-N 2.9Å; S91-R94 PolarHBondContact O-N 3.41Å; S91-R95 PolarHBondContact O-N 3.24Å |
| 92 | N | 59.1 | Low | 54.6 | Low | 103 Ų | 103 | 125.4 Ų | 125.4 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.5 | -30 | 177.7 | -118.3 | -30.7 | 0 | 0 | 0 | 113 | A88 W89 R95 Q96 | A88-N92 PolarHBondContact O-N 2.95Å; W89-N92 PolarHBondContact O-N 3.48Å; N92-R95 PolarHBondContact O-N 3.47Å; N92-Q96 WeakPolarHBondContact O-CB 3.24Å; N92-Q96 WeakPolarHBondContact O-CG 3.2Å; N92-Q96 PolarHBondContact O-N 3.22Å |
| 93 | R | 55.9 | Low | 54.2 | Low | 140 Ų | 140 | 127 Ų | 127 | 53% | 0.528 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.1 | -39.8 | 177.2 | -164.5 | 166.8 | -168.6 | 172.1 | 3.6 | 112.6 | W89 S91 Q96 E97 | W89-R93 PolarHBondContact O-N 2.86Å; S91-R93 VanDerWaalsContact C-N 3.35Å; S91-R93 PolarHBondContact O-N 2.9Å; R93-Q96 PolarHBondContact O-N 3.4Å; R93-E97 WeakPolarHBondContact O-CG 3.37Å; R93-E97 PolarHBondContact O-N 2.95Å; R93-E97 VanDerWaalsContact O-N 3.17Å |
| 94 | R | 57.3 | Low | 53.8 | Low | 206 Ų | 206 | 131.8 Ų | 131.8 | 78% | 0.777 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69 | -35.3 | 175 | -65.1 | -167.4 | -165.1 | -171 | 4 | 112.9 | S91 | S91-R94 PolarHBondContact O-N 3.41Å |
| 95 | R | 52.4 | Low | 53 | Low | 196 Ų | 196 | 134.7 Ų | 134.7 | 74% | 0.74 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.4 | -33.6 | 173 | -96.3 | -167.5 | -176.7 | -165 | 2 | 113.3 | S91 N92 L99 | S91-R95 PolarHBondContact O-N 3.24Å; N92-R95 PolarHBondContact O-N 3.47Å; R95-L99 PolarHBondContact O-N 3.27Å |
| 96 | Q | 48.4 | Very low | 52.8 | Low | 103 Ų | 103 | 133.9 Ų | 133.9 | 48% | 0.481 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73.5 | -28.6 | 177.1 | -81.4 | -85.8 | -29.3 | 0 | 0 | 112.9 | N92 R93 G98 L99 R100 | N92-Q96 WeakPolarHBondContact O-CB 3.24Å; N92-Q96 WeakPolarHBondContact O-CG 3.2Å; N92-Q96 PolarHBondContact O-N 3.22Å; R93-Q96 PolarHBondContact O-N 3.4Å; Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 3.37Å; Q96-L99 PolarHBondContact O-N 3.41Å; Q96-R100 WeakPolarHBondContact O-CB 3.16Å; Q96-R100 WeakPolarHBondContact O-CG 3.44Å; Q96-R100 PolarHBondContact O-N 2.98Å |
| 97 | E | 52.9 | Low | 51.8 | Low | 122 Ų | 122 | 137.7 Ų | 137.7 | 57% | 0.57 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.2 | -28.8 | 175.2 | -76.6 | 162 | -172.5 | 0 | 0 | 112.4 | R93 | R93-E97 WeakPolarHBondContact O-CG 3.37Å; R93-E97 PolarHBondContact O-N 2.95Å; R93-E97 VanDerWaalsContact O-N 3.17Å |
| 98 | G | 53.8 | Low | 51.1 | Low | 61 Ų | 61 | 139.5 Ų | 139.5 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.3 | -20.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q96 | Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 3.37Å |
| 99 | L | 47 | Very low | 50.5 | Low | 118 Ų | 118 | 147.4 Ų | 147.4 | 62% | 0.618 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -99.4 | -6.5 | 178.4 | -78.6 | 167.9 | 0 | 0 | 0 | 113.6 | R95 Q96 S101 I102 | R95-L99 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 3.41Å; L99-S101 PolarHBondContact O-N 3.26Å; L99-I102 PolarHBondContact O-N 2.87Å; L99-I102 VanDerWaalsContact O-O 3.07Å |
| 100 | R | 47.6 | Very low | 50 | Low | 199 Ų | 199 | 146 Ų | 146 | 75% | 0.751 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -4.7 | -176.5 | -96 | 173.1 | 179 | -139.6 | -1.9 | 115.2 | Q96 | Q96-R100 WeakPolarHBondContact O-CB 3.16Å; Q96-R100 WeakPolarHBondContact O-CG 3.44Å; Q96-R100 PolarHBondContact O-N 2.98Å |
| 101 | S | 49.3 | Very low | 49.6 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -6.3 | 173.2 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | L99 | L99-S101 PolarHBondContact O-N 3.26Š|
| 102 | I | 50.9 | Low | 49.2 | Very low | 141 Ų | 141 | 144 Ų | 144 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -136.3 | 127.5 | -179.3 | -51.5 | 176.9 | 0 | 0 | 0 | 109.1 | L99 | L99-I102 PolarHBondContact O-N 2.87Å; L99-I102 VanDerWaalsContact O-O 3.07Å |
| 103 | C | 46.7 | Very low | 48.6 | Very low | 108 Ų | 108 | 148 Ų | 148 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | trans | 91.1 | 74.5 | 175.6 | -158.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 104 | M | 48.7 | Very low | 48.3 | Very low | 181 Ų | 181 | 153.2 Ų | 153.2 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | trans | -80.7 | 99.8 | 140 | -85.9 | -88.8 | 105.5 | 0 | 0 | 107.8 | ||||
| 105 | H | 41.5 | Very low | 47.9 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | trans | -148.8 | 109.1 | 154.9 | -98 | -71.7 | 0 | 0 | 0 | 111.6 | ||||
| 106 | T | 50.9 | Low | 48.1 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | 31.3 | 97.1 | 148.9 | 55.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 107 | K | 38.2 | Very low | 48.5 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -131.7 | 93.1 | 147.5 | -118.2 | 170.9 | -175.5 | 169.3 | 0 | 110 | R109 | K107-R109 PolarHBondContact O-N 3.01Å; K107-R109 VanDerWaalsContact O-N 3.08Å | ||
| 108 | K | 46.3 | Very low | 48.8 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | -54.8 | 110.2 | 162.3 | -83.4 | -176.2 | 176.2 | 177.2 | 0 | 107.6 | ||||
| 109 | R | 42.5 | Very low | 49 | Very low | 222 Ų | 222 | 146.6 Ų | 146.6 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -100.9 | 101 | 161.1 | -74.5 | -166.7 | -179.9 | -166.7 | 0.8 | 107.9 | K107 S111 | K107-R109 PolarHBondContact O-N 3.01Å; K107-R109 VanDerWaalsContact O-N 3.08Å; R109-S111 PolarHBondContact O-N 2.91Å | ||
| 110 | V | 46.7 | Very low | 50.1 | Low | 128 Ų | 128 | 146.1 Ų | 146.1 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -70.5 | 106.5 | 159.8 | 178.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 111 | S | 47.4 | Very low | 51.2 | Low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -137.3 | 76 | 160 | 62.5 | 0 | 0 | 0 | 0 | 109.6 | R109 F113 | R109-S111 PolarHBondContact O-N 2.91Å; S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 3.02Å | ||
| 112 | S | 48.6 | Very low | 52.3 | Low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -70.9 | 81.9 | 164.2 | 49.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 113 | F | 47.2 | Very low | 53.4 | Low | 187 Ų | 187 | 140.1 Ų | 140.1 | 82% | 0.82 | 71% | 0.711 | S | S | * | * | trans | -111.5 | 86.4 | 153.3 | -98.6 | -88.4 | 0 | 0 | 0 | 108.5 | S111 | S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 3.02Å | ||
| 114 | R | 49.1 | Very low | 55 | Low | 249 Ų | 249 | 138.4 Ų | 138.4 | 94% | 0.94 | 69% | 0.694 | S | S | * | * | trans | -101.9 | 52 | -179.1 | -165.4 | -178.4 | -172.1 | -121.8 | 4.5 | 109.5 | ||||
| 115 | G | 49.8 | Very low | 56.6 | Low | 46 Ų | 46 | 133.7 Ų | 133.7 | 47% | 0.474 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -115.9 | -58.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 116 | N | 56.8 | Low | 58.5 | Low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 4.7 | -166.1 | -75.8 | 9.5 | 0 | 0 | 0 | 116 | ||
| 117 | K | 57 | Low | 60.2 | Low | 142 Ų | 142 | 133.1 Ų | 133.1 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77 | -21.4 | -176.9 | -69.7 | -177.3 | -176.9 | 175.5 | 0 | 113.7 | K121 | K117-K121 WeakPolarHBondContact O-CB 3.35Å; K117-K121 VanDerWaalsContact O-CD 3.24Å; K117-K121 WeakPolarHBondContact O-CD 3.47Å; K117-K121 WeakPolarHBondContact O-CG 3.13Å; K117-K121 PolarHBondContact O-N 3.43Å |
| 118 | I | 59.1 | Low | 62.4 | Low | 122 Ų | 122 | 132.1 Ų | 132.1 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.7 | -54.6 | -177.3 | -62 | 168.9 | 0 | 0 | 0 | 109.1 | L120 K121 D122 | I118-L120 PolarHBondContact O-N 2.85Å; I118-K121 PolarHBondContact O-N 2.76Å; I118-D122 PolarHBondContact O-N 2.87Å; I118-D122 VanDerWaalsContact O-N 3.1Å |
| 119 | V | 58.1 | Low | 64.2 | Low | 99 Ų | 99 | 126.5 Ų | 126.5 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.4 | -43.7 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | K121 D122 V123 | V119-K121 VanDerWaalsContact C-N 3.35Å; V119-K121 PolarHBondContact O-N 3.32Å; V119-D122 PolarHBondContact O-N 2.96Å; V119-V123 HydrophobicContact CG1-CG2 4.48Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.23Å; V119-V123 PolarHBondContact O-N 2.94Å |
| 120 | L | 69.8 | Low | 66.4 | Low | 108 Ų | 108 | 119.5 Ų | 119.5 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.8 | -36.8 | 179.9 | -176.8 | 63.2 | 0 | 0 | 0 | 112.2 | I118 D122 I124 | I118-L120 PolarHBondContact O-N 2.85Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-I124 HydrophobicContact CD1-CD1 4.05Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.44Å; L120-I124 WeakPolarHBondContact O-CD1 3.43Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.39Å |
| 121 | K | 69.9 | Low | 68.1 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 60% | 0.6 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -44.3 | 176 | -79.1 | 175.1 | -175 | -176.5 | 0 | 110.5 | K117 I118 V119 I124 T125 | K117-K121 WeakPolarHBondContact O-CB 3.35Å; K117-K121 VanDerWaalsContact O-CD 3.24Å; K117-K121 WeakPolarHBondContact O-CD 3.47Å; K117-K121 WeakPolarHBondContact O-CG 3.13Å; K117-K121 PolarHBondContact O-N 3.43Å; I118-K121 PolarHBondContact O-N 2.76Å; V119-K121 VanDerWaalsContact C-N 3.35Å; V119-K121 PolarHBondContact O-N 3.32Å; K121-I124 PolarHBondContact O-N 2.85Å; K121-T125 PolarHBondContact O-N 3.42Å; K121-T125 PolarHBondContact O-OG1 3.22Å |
| 122 | D | 73.3 | Confident | 70.1 | Confident | 95 Ų | 95 | 115.7 Ų | 115.7 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.5 | -38.3 | -179 | -65.7 | -24.5 | 0 | 0 | 0 | 112.6 | I118 V119 L120 T125 L126 | I118-D122 PolarHBondContact O-N 2.87Å; I118-D122 VanDerWaalsContact O-N 3.1Å; V119-D122 PolarHBondContact O-N 2.96Å; L120-D122 VanDerWaalsContact C-N 3.34Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.37Å; D122-T125 PolarHBondContact O-OG1 3.48Å; D122-T125 VanDerWaalsContact O-OG1 3.08Å; D122-L126 WeakPolarHBondContact O-CB 3.28Å; D122-L126 PolarHBondContact O-N 2.95Å |
| 123 | V | 74.1 | Confident | 72 | Confident | 86 Ų | 86 | 116.8 Ų | 116.8 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.3 | -39.5 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | V119 R127 | V119-V123 HydrophobicContact CG1-CG2 4.48Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.23Å; V119-V123 PolarHBondContact O-N 2.94Å; V123-R127 VanDerWaalsContact O-CB 3.28Å; V123-R127 WeakPolarHBondContact O-CB 3.28Å; V123-R127 PolarHBondContact O-N 3.38Å |
| 124 | I | 80.4 | Confident | 74.1 | Confident | 73 Ų | 73 | 111.4 Ų | 111.4 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70 | -41.9 | 178.5 | -67.5 | 166.5 | 0 | 0 | 0 | 111.3 | L120 K121 R127 R128 | L120-I124 HydrophobicContact CD1-CD1 4.05Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.44Å; L120-I124 WeakPolarHBondContact O-CD1 3.43Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.39Å; K121-I124 PolarHBondContact O-N 2.85Å; I124-R127 PolarHBondContact O-N 3.47Å; I124-R128 WeakPolarHBondContact O-CB 3.29Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.33Å; I124-R128 PolarHBondContact O-N 3.43Å |
| 125 | T | 83 | Confident | 75.8 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 175 | 32.4 | 0 | 0 | 0 | 0 | 111.3 | K121 D122 R128 H129 | K121-T125 PolarHBondContact O-N 3.42Å; K121-T125 PolarHBondContact O-OG1 3.22Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.37Å; D122-T125 PolarHBondContact O-OG1 3.48Å; D122-T125 VanDerWaalsContact O-OG1 3.08Å; T125-R128 PolarHBondContact O-N 2.83Å; T125-H129 WeakPolarHBondContact O-CB 3.43Å; T125-H129 PolarHBondContact O-N 3.12Å |
| 126 | L | 80.9 | Confident | 77.5 | Confident | 112 Ų | 112 | 106.8 Ų | 106.8 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 175.9 | -173.8 | 65 | 0 | 0 | 0 | 111.4 | D122 R128 H129 V130 | D122-L126 WeakPolarHBondContact O-CB 3.28Å; D122-L126 PolarHBondContact O-N 2.95Å; L126-R128 PolarHBondContact O-N 3.33Å; L126-H129 PolarHBondContact O-N 3.26Å; L126-V130 WeakPolarHBondContact O-CG2 3.3Å; L126-V130 PolarHBondContact O-N 2.84Å |
| 127 | R | 86.8 | Confident | 78.9 | Confident | 167 Ų | 167 | 107.6 Ų | 107.6 | 63% | 0.63 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.7 | -46.8 | 175.5 | -177.1 | 179.7 | 171 | -136.5 | -13.6 | 111.6 | V123 I124 H129 V130 E131 | V123-R127 VanDerWaalsContact O-CB 3.28Å; V123-R127 WeakPolarHBondContact O-CB 3.28Å; V123-R127 PolarHBondContact O-N 3.38Å; I124-R127 PolarHBondContact O-N 3.47Å; R127-H129 VanDerWaalsContact C-N 3.33Å; R127-H129 PolarHBondContact O-N 3.31Å; R127-V130 PolarHBondContact O-N 3.03Å; R127-E131 IonicContact CZ-OE1 3.24Å; R127-E131 VanDerWaalsContact CZ-OE1 3.24Å; R127-E131 IonicContact NE-OE1 3.07Å; R127-E131 PolarHBondContact NE-OE1 3.36Å; R127-E131 VanDerWaalsContact NE-OE1 3.07Å; R127-E131 IonicContact NH2-OE1 3.91Å; R127-E131 PolarHBondContact NH2-OE1 2.84Å; R127-E131 WeakPolarHBondContact O-CB 3.38Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.34Å |
| 128 | R | 84.6 | Confident | 80.2 | Confident | 170 Ų | 170 | 105.8 Ų | 105.8 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 177.1 | -75.1 | 176.7 | 178.3 | -176.9 | 0.6 | 111.9 | I124 T125 L126 E131 T132 | I124-R128 WeakPolarHBondContact O-CB 3.29Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.33Å; I124-R128 PolarHBondContact O-N 3.43Å; T125-R128 PolarHBondContact O-N 2.83Å; L126-R128 PolarHBondContact O-N 3.33Å; R128-E131 PolarHBondContact O-N 3.27Å; R128-T132 WeakPolarHBondContact O-CG2 3.01Å; R128-T132 PolarHBondContact O-N 3.27Å; R128-T132 PolarHBondContact O-OG1 2.91Å |
| 129 | H | 84.2 | Confident | 81.2 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 178.5 | 173.7 | -102.6 | 0 | 0 | 0 | 112.8 | T125 L126 R127 T132 K133 | T125-H129 WeakPolarHBondContact O-CB 3.43Å; T125-H129 PolarHBondContact O-N 3.12Å; L126-H129 PolarHBondContact O-N 3.26Å; R127-H129 VanDerWaalsContact C-N 3.33Å; R127-H129 PolarHBondContact O-N 3.31Å; H129-T132 PolarHBondContact O-OG1 3.12Å; H129-K133 VanDerWaalsContact CE1-CE 3.42Å; H129-K133 WeakPolarHBondContact CE1-CE 3.3Å; H129-K133 VanDerWaalsContact NE2-CE 3.34Å; H129-K133 WeakPolarHBondContact NE2-CE 3.04Å; H129-K133 PolarHBondContact O-N 3.07Å; H129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | V | 88.1 | Confident | 82.3 | Confident | 76 Ų | 76 | 111.4 Ų | 111.4 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 174.1 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L126 R127 T132 K133 V134 | L126-V130 WeakPolarHBondContact O-CG2 3.3Å; L126-V130 PolarHBondContact O-N 2.84Å; R127-V130 PolarHBondContact O-N 3.03Å; V130-T132 PolarHBondContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 2.85Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CG2 2.96Å; V130-V134 PolarHBondContact O-N 3.46Å |
| 131 | E | 82.4 | Confident | 82.5 | Confident | 65 Ų | 65 | 115.2 Ų | 115.2 | 30% | 0.304 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.7 | -76 | -175 | -172.3 | 0 | 0 | 112.4 | R127 R128 V134 R135 | R127-E131 IonicContact CZ-OE1 3.24Å; R127-E131 VanDerWaalsContact CZ-OE1 3.24Å; R127-E131 IonicContact NE-OE1 3.07Å; R127-E131 PolarHBondContact NE-OE1 3.36Å; R127-E131 VanDerWaalsContact NE-OE1 3.07Å; R127-E131 IonicContact NH2-OE1 3.91Å; R127-E131 PolarHBondContact NH2-OE1 2.84Å; R127-E131 WeakPolarHBondContact O-CB 3.38Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.34Å; R128-E131 PolarHBondContact O-N 3.27Å; E131-V134 PolarHBondContact O-N 3.46Å; E131-R135 WeakPolarHBondContact O-CB 3.47Å; E131-R135 WeakPolarHBondContact O-CG 2.79Å; E131-R135 PolarHBondContact O-N 2.79Å |
| 132 | T | 89.4 | Confident | 82.8 | Confident | 85 Ų | 85 | 115.6 Ų | 115.6 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | R128 H129 V130 R135 A136 | R128-T132 WeakPolarHBondContact O-CG2 3.01Å; R128-T132 PolarHBondContact O-N 3.27Å; R128-T132 PolarHBondContact O-OG1 2.91Å; H129-T132 PolarHBondContact O-OG1 3.12Å; V130-T132 PolarHBondContact O-N 3.11Å; T132-R135 PolarHBondContact O-N 2.93Å; T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.39Å; T132-A136 PolarHBondContact O-N 3.39Å |
| 133 | K | 88.8 | Confident | 82.8 | Confident | 122 Ų | 122 | 115 Ų | 115 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.1 | -80.7 | -166.7 | 173.7 | -179.1 | 0 | 112.4 | H129 V130 A136 K137 | H129-K133 VanDerWaalsContact CE1-CE 3.42Å; H129-K133 WeakPolarHBondContact CE1-CE 3.3Å; H129-K133 VanDerWaalsContact NE2-CE 3.34Å; H129-K133 WeakPolarHBondContact NE2-CE 3.04Å; H129-K133 PolarHBondContact O-N 3.07Å; H129-K133 VanDerWaalsContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 2.85Å; K133-A136 PolarHBondContact O-N 2.84Å; K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 3.39Å |
| 134 | V | 91 | Very high | 82.2 | Confident | 74 Ų | 74 | 114.3 Ų | 114.3 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | V130 E131 A136 K137 I138 | V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CG2 2.96Å; V130-V134 PolarHBondContact O-N 3.46Å; E131-V134 PolarHBondContact O-N 3.46Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 2.86Å; V134-K137 PolarHBondContact O-N 3.46Å; V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.39Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.37Å; V134-I138 PolarHBondContact O-N 3.47Å |
| 135 | R | 85.1 | Confident | 81.5 | Confident | 150 Ų | 150 | 115 Ų | 115 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -40.8 | 175.9 | -72.9 | 174.8 | -173.3 | -151.4 | 4.4 | 112.2 | E131 T132 I138 R139 | E131-R135 WeakPolarHBondContact O-CB 3.47Å; E131-R135 WeakPolarHBondContact O-CG 2.79Å; E131-R135 PolarHBondContact O-N 2.79Å; T132-R135 PolarHBondContact O-N 2.93Å; R135-I138 PolarHBondContact O-N 3.39Å; R135-R139 WeakPolarHBondContact O-CB 3.26Å; R135-R139 WeakPolarHBondContact O-CG 3.29Å; R135-R139 PolarHBondContact O-N 2.85Å |
| 136 | A | 85.8 | Confident | 80.4 | Confident | 48 Ų | 48 | 118.1 Ų | 118.1 | 40% | 0.397 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T132 K133 V134 R139 K140 | T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.39Å; T132-A136 PolarHBondContact O-N 3.39Å; K133-A136 PolarHBondContact O-N 2.84Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 2.86Å; A136-R139 PolarHBondContact O-N 3.4Å; A136-K140 WeakPolarHBondContact O-CB 3.3Å; A136-K140 WeakPolarHBondContact O-CG 3.45Å; A136-K140 PolarHBondContact O-N 3.37Å |
| 137 | K | 84.7 | Confident | 79.3 | Confident | 158 Ų | 158 | 117.8 Ų | 117.8 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.9 | -43 | 173.6 | -78.5 | -177.7 | 177.4 | -176.4 | 0 | 112.1 | K133 V134 K140 R141 | K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 3.39Å; V134-K137 PolarHBondContact O-N 3.46Å; K137-K140 PolarHBondContact O-N 2.96Å; K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.38Å; K137-R141 PolarHBondContact O-N 3.14Å |
| 138 | I | 84.3 | Confident | 77.9 | Confident | 103 Ų | 103 | 115.3 Ų | 115.3 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 176.3 | -68.3 | 166.6 | 0 | 0 | 0 | 110.6 | V134 R135 R141 K142 | V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.39Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.37Å; V134-I138 PolarHBondContact O-N 3.47Å; R135-I138 PolarHBondContact O-N 3.39Å; I138-R141 PolarHBondContact O-N 3.5Å; I138-K142 VanDerWaalsContact O-CB 3.3Å; I138-K142 WeakPolarHBondContact O-CB 3.49Å; I138-K142 PolarHBondContact O-N 2.96Å |
| 139 | R | 81.4 | Confident | 76.6 | Confident | 183 Ų | 183 | 112.8 Ų | 112.8 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -47.3 | 175.9 | -74.9 | 178 | -178.8 | 179.9 | -0.7 | 111.6 | R135 A136 R141 K142 V143 | R135-R139 WeakPolarHBondContact O-CB 3.26Å; R135-R139 WeakPolarHBondContact O-CG 3.29Å; R135-R139 PolarHBondContact O-N 2.85Å; A136-R139 PolarHBondContact O-N 3.4Å; R139-R141 PolarHBondContact O-N 3.47Å; R139-K142 PolarHBondContact O-N 3.38Å; R139-V143 WeakPolarHBondContact O-CB 3.39Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.35Å; R139-V143 PolarHBondContact O-N 2.98Å |
| 140 | K | 80.1 | Confident | 75.1 | Confident | 156 Ų | 156 | 116.3 Ų | 116.3 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -57.5 | -47.7 | 174.8 | -76.6 | -172.3 | 179.1 | -168.2 | 0 | 111.1 | A136 K137 K142 V143 T144 | A136-K140 WeakPolarHBondContact O-CB 3.3Å; A136-K140 WeakPolarHBondContact O-CG 3.45Å; A136-K140 PolarHBondContact O-N 3.37Å; K137-K140 PolarHBondContact O-N 2.96Å; K140-K142 PolarHBondContact O-N 3.17Å; K140-V143 PolarHBondContact O-N 3.32Å; K140-T144 WeakPolarHBondContact O-CG2 3.46Å; K140-T144 PolarHBondContact O-N 2.75Å; K140-T144 PolarHBondContact O-OG1 3.08Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å |
| 141 | R | 74.6 | Confident | 73.5 | Confident | 189 Ų | 189 | 118.7 Ų | 118.7 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61 | -44.1 | 177.5 | -165.3 | 177.9 | -176.1 | -155.2 | 1.5 | 111.9 | K137 I138 R139 T144 T145 | K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.38Å; K137-R141 PolarHBondContact O-N 3.14Å; I138-R141 PolarHBondContact O-N 3.5Å; R139-R141 PolarHBondContact O-N 3.47Å; R141-T144 VanDerWaalsContact CA-OG1 3.29Å; R141-T144 WeakPolarHBondContact CA-OG1 3.48Å; R141-T144 PolarHBondContact O-N 3.22Å; R141-T144 PolarHBondContact O-OG1 3.27Å; R141-T145 WeakPolarHBondContact O-CB 3.46Å; R141-T145 PolarHBondContact O-N 3.47Å; R141-T145 PolarHBondContact O-OG1 2.83Å |
| 142 | K | 75.4 | Confident | 72.3 | Confident | 145 Ų | 145 | 122.8 Ų | 122.8 | 63% | 0.63 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -37.8 | 177.4 | -171.7 | 171.9 | -176.7 | 176.8 | 0 | 112.2 | I138 R139 K140 K146 | I138-K142 VanDerWaalsContact O-CB 3.3Å; I138-K142 WeakPolarHBondContact O-CB 3.49Å; I138-K142 PolarHBondContact O-N 2.96Å; R139-K142 PolarHBondContact O-N 3.38Å; K140-K142 PolarHBondContact O-N 3.17Å; K142-K146 WeakPolarHBondContact O-CB 3.35Å; K142-K146 PolarHBondContact O-N 3.2Å |
| 143 | V | 73 | Confident | 70.7 | Confident | 83 Ų | 83 | 126.3 Ų | 126.3 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.3 | -47.7 | 173.7 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | R139 K140 T145 K146 I147 | R139-V143 WeakPolarHBondContact O-CB 3.39Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.35Å; R139-V143 PolarHBondContact O-N 2.98Å; K140-V143 PolarHBondContact O-N 3.32Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.42Å; V143-K146 WeakPolarHBondContact O-CB 3.38Å; V143-K146 PolarHBondContact O-N 3.09Å; V143-K146 VanDerWaalsContact O-N 3.14Å; V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.42Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.22Å; V143-I147 PolarHBondContact O-N 3.09Å |
| 144 | T | 62.9 | Low | 69.1 | Low | 71 Ų | 71 | 124.5 Ų | 124.5 | 44% | 0.436 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.6 | -36.6 | 176.7 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | K140 R141 I147 N148 | K140-T144 WeakPolarHBondContact O-CG2 3.46Å; K140-T144 PolarHBondContact O-N 2.75Å; K140-T144 PolarHBondContact O-OG1 3.08Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å; R141-T144 VanDerWaalsContact CA-OG1 3.29Å; R141-T144 WeakPolarHBondContact CA-OG1 3.48Å; R141-T144 PolarHBondContact O-N 3.22Å; R141-T144 PolarHBondContact O-OG1 3.27Å; T144-I147 PolarHBondContact O-N 3.12Å; T144-N148 WeakPolarHBondContact O-CB 3.29Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 3.04Å; T144-N148 PolarHBondContact O-ND2 3.49Å |
| 145 | T | 65.3 | Low | 67.3 | Low | 87 Ų | 87 | 124 Ų | 124 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.8 | -34.7 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | R141 V143 H149 | R141-T145 WeakPolarHBondContact O-CB 3.46Å; R141-T145 PolarHBondContact O-N 3.47Å; R141-T145 PolarHBondContact O-OG1 2.83Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.42Å; T145-H149 PolarHBondContact O-N 3.24Å; T145-H149 VanDerWaalsContact O-N 3.12Å |
| 146 | K | 58.8 | Low | 65.8 | Low | 147 Ų | 147 | 125.4 Ų | 125.4 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -41.1 | 171.8 | -92.4 | -168.6 | 166.8 | -166.4 | 0 | 112.4 | K142 V143 N148 H149 H150 | K142-K146 WeakPolarHBondContact O-CB 3.35Å; K142-K146 PolarHBondContact O-N 3.2Å; V143-K146 WeakPolarHBondContact O-CB 3.38Å; V143-K146 PolarHBondContact O-N 3.09Å; V143-K146 VanDerWaalsContact O-N 3.14Å; K146-N148 VanDerWaalsContact C-N 3.31Å; K146-N148 PolarHBondContact O-N 2.97Å; K146-H149 WeakPolarHBondContact O-CB 3.41Å; K146-H149 PolarHBondContact O-N 3.49Å; K146-H150 PolarHBondContact O-N 3.15Å |
| 147 | I | 58.9 | Low | 64.2 | Low | 106 Ų | 106 | 132.3 Ų | 132.3 | 54% | 0.544 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.1 | -44.3 | 174.4 | -67.1 | 165.5 | 0 | 0 | 0 | 109.6 | V143 T144 H149 H150 | V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.42Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.22Å; V143-I147 PolarHBondContact O-N 3.09Å; T144-I147 PolarHBondContact O-N 3.12Å; I147-H149 PolarHBondContact O-N 3.06Å; I147-H150 PolarHBondContact O-N 3.01Å; I147-H150 VanDerWaalsContact O-N 3.09Å |
| 148 | N | 56.2 | Low | 62.8 | Low | 115 Ų | 115 | 132.3 Ų | 132.3 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -16.1 | 174.3 | -70.6 | -19.5 | 0 | 0 | 0 | 114.5 | T144 K146 | T144-N148 WeakPolarHBondContact O-CB 3.29Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 3.04Å; T144-N148 PolarHBondContact O-ND2 3.49Å; K146-N148 VanDerWaalsContact C-N 3.31Å; K146-N148 PolarHBondContact O-N 2.97Å |
| 149 | H | 57.4 | Low | 61.7 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 54% | 0.542 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | -17.1 | 173.8 | -159 | 77.7 | 0 | 0 | 0 | 112.8 | T145 K146 I147 D151 K152 | T145-H149 PolarHBondContact O-N 3.24Å; T145-H149 VanDerWaalsContact O-N 3.12Å; K146-H149 WeakPolarHBondContact O-CB 3.41Å; K146-H149 PolarHBondContact O-N 3.49Å; I147-H149 PolarHBondContact O-N 3.06Å; H149-D151 VanDerWaalsContact C-N 3.34Å; H149-K152 PolarHBondContact CE1-NZ 3.02Å; H149-K152 PolarHBondContact NE2-NZ 3.14Å |
| 150 | H | 53.5 | Low | 61.2 | Low | 162 Ų | 162 | 124 Ų | 124 | 75% | 0.75 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -82.5 | -7.3 | 176.7 | -107.8 | -78.4 | 0 | 0 | 0 | 114 | K146 I147 K152 | K146-H150 PolarHBondContact O-N 3.15Å; I147-H150 PolarHBondContact O-N 3.01Å; I147-H150 VanDerWaalsContact O-N 3.09Å; H150-K152 PolarHBondContact O-N 3.32Å |
| 151 | D | 54.2 | Low | 61 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 67% | 0.674 | 61% | 0.613 | S | S | * | * | trans | -74.5 | 20.3 | 169 | -80 | -14.2 | 0 | 0 | 0 | 113.9 | H149 I153 | H149-D151 VanDerWaalsContact C-N 3.34Å; D151-I153 PolarHBondContact O-N 3.03Å | ||
| 152 | K | 56.9 | Low | 61.1 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 66% | 0.661 | 61% | 0.611 | S | S | * | * | trans | -78.5 | 45 | 170.9 | -86 | -179 | 170.6 | 177 | 0 | 112.2 | H149 H150 | H149-K152 PolarHBondContact CE1-NZ 3.02Å; H149-K152 PolarHBondContact NE2-NZ 3.14Å; H150-K152 PolarHBondContact O-N 3.32Å | ||
| 153 | I | 56.7 | Low | 61.2 | Low | 158 Ų | 158 | 122.4 Ų | 122.4 | 81% | 0.81 | 61% | 0.608 | S | S | * | * | trans | -138.9 | 60.8 | 166.3 | -45.9 | 178.4 | 0 | 0 | 0 | 110.3 | D151 | D151-I153 PolarHBondContact O-N 3.03Š| ||
| 154 | N | 54.3 | Low | 62 | Low | 84 Ų | 84 | 125 Ų | 125 | 45% | 0.449 | 61% | 0.613 | S | S | . | * | trans | -159.9 | 60.5 | 144.2 | -138.2 | -30.5 | 0 | 0 | 0 | 112.3 | K156 R157 | N154-K156 PolarHBondContact O-N 2.72Å; N154-R157 HydrophobicContact CB-CB 4.41Å; N154-R157 PolarHBondContact O-N 2.77Å | ||
| 155 | G | 53.2 | Low | 63.3 | Low | 64 Ų | 64 | 126.9 Ų | 126.9 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -58 | -28 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S159 | G155-S159 PolarHBondContact O-N 2.97Å; G155-S159 PolarHBondContact O-OG 3.3Å |
| 156 | K | 53.8 | Low | 64.3 | Low | 180 Ų | 180 | 128.9 Ų | 128.9 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.8 | -34.3 | -178.9 | -71.3 | -171.8 | 177.5 | -177.6 | 0 | 114 | N154 S159 A160 | N154-K156 PolarHBondContact O-N 2.72Å; K156-S159 PolarHBondContact O-OG 3.45Å; K156-A160 PolarHBondContact O-N 3.17Å |
| 157 | R | 53.6 | Low | 65.8 | Low | 192 Ų | 192 | 127 Ų | 127 | 73% | 0.725 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.4 | -30.7 | -178.6 | -150.2 | 173.8 | -168.3 | 164.3 | 3.1 | 112.6 | N154 R161 | N154-R157 HydrophobicContact CB-CB 4.41Å; N154-R157 PolarHBondContact O-N 2.77Å; R157-R161 WeakPolarHBondContact O-CB 3.42Å; R157-R161 PolarHBondContact O-N 3.39Å |
| 158 | K | 54.8 | Low | 67.4 | Low | 159 Ų | 159 | 131.1 Ų | 131.1 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.4 | -37.6 | 177.3 | -68.4 | -172.3 | -178.4 | 177.6 | 0 | 112.3 | K162 | K158-K162 WeakPolarHBondContact O-CB 3.37Å; K158-K162 PolarHBondContact O-N 2.9Å |
| 159 | S | 61.7 | Low | 69.1 | Low | 68 Ų | 68 | 128.3 Ų | 128.3 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.8 | -45.3 | 174.5 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | G155 K156 R161 K162 Q163 | G155-S159 PolarHBondContact O-N 2.97Å; G155-S159 PolarHBondContact O-OG 3.3Å; K156-S159 PolarHBondContact O-OG 3.45Å; S159-R161 PolarHBondContact O-N 3.29Å; S159-K162 PolarHBondContact O-N 3.31Å; S159-Q163 VanDerWaalsContact O-CB 3.3Å; S159-Q163 WeakPolarHBondContact O-CB 3.41Å; S159-Q163 PolarHBondContact O-N 3.02Å |
| 160 | A | 71 | Confident | 70.7 | Confident | 44 Ų | 44 | 127 Ų | 127 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.3 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | K156 K164 | K156-A160 PolarHBondContact O-N 3.17Å; A160-K164 WeakPolarHBondContact O-CB 3.2Å; A160-K164 WeakPolarHBondContact O-CG 3.41Å; A160-K164 PolarHBondContact O-N 3.45Å |
| 161 | R | 74.6 | Confident | 72.5 | Confident | 180 Ų | 180 | 122.9 Ų | 122.9 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.2 | -39.8 | 176.1 | -168.9 | 177.8 | 177.8 | 174.3 | 0.2 | 111.7 | R157 S159 K164 M165 | R157-R161 WeakPolarHBondContact O-CB 3.42Å; R157-R161 PolarHBondContact O-N 3.39Å; S159-R161 PolarHBondContact O-N 3.29Å; R161-K164 PolarHBondContact O-N 2.9Å; R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.44Å; R161-M165 PolarHBondContact O-N 3.39Å |
| 162 | K | 77.9 | Confident | 74.4 | Confident | 152 Ų | 152 | 122.2 Ų | 122.2 | 66% | 0.661 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67 | -40.6 | 177.4 | -166.1 | 177.2 | -178.4 | -175.5 | 0 | 111.7 | K158 S159 M165 F166 | K158-K162 WeakPolarHBondContact O-CB 3.37Å; K158-K162 PolarHBondContact O-N 2.9Å; S159-K162 PolarHBondContact O-N 3.31Å; K162-M165 PolarHBondContact O-N 3.26Å; K162-F166 WeakPolarHBondContact O-CB 3.45Å; K162-F166 PolarHBondContact O-N 2.96Å |
| 163 | Q | 77.6 | Confident | 75.9 | Confident | 123 Ų | 123 | 123.2 Ų | 123.2 | 58% | 0.575 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.6 | -41.1 | 175.2 | -167.3 | 173.6 | 6.2 | 0 | 0 | 111.7 | S159 F166 Q167 | S159-Q163 VanDerWaalsContact O-CB 3.3Å; S159-Q163 WeakPolarHBondContact O-CB 3.41Å; S159-Q163 PolarHBondContact O-N 3.02Å; Q163-F166 PolarHBondContact O-N 3.34Å; Q163-Q167 WeakPolarHBondContact O-CB 3.26Å; Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.3Å |
| 164 | K | 88.2 | Confident | 77.3 | Confident | 139 Ų | 139 | 123.2 Ų | 123.2 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.9 | -39.8 | 172.4 | -76.9 | -178.4 | 179.4 | -173.5 | 0 | 112.8 | A160 R161 R168 | A160-K164 WeakPolarHBondContact O-CB 3.2Å; A160-K164 WeakPolarHBondContact O-CG 3.41Å; A160-K164 PolarHBondContact O-N 3.45Å; R161-K164 PolarHBondContact O-N 2.9Å; K164-R168 WeakPolarHBondContact O-CB 3.42Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.45Å |
| 165 | M | 90.5 | Very high | 78.8 | Confident | 109 Ų | 109 | 126.4 Ų | 126.4 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.3 | -39 | 175 | -73.3 | -174.4 | -63.3 | 0 | 0 | 111.8 | R161 K162 R168 A169 | R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.44Å; R161-M165 PolarHBondContact O-N 3.39Å; K162-M165 PolarHBondContact O-N 3.26Å; M165-R168 PolarHBondContact O-N 3.23Å; M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.29Å |
| 166 | F | 87.1 | Confident | 80.3 | Confident | 129 Ų | 129 | 126.2 Ų | 126.2 | 57% | 0.566 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.4 | -43.9 | 175.9 | -172.6 | -105.4 | 0 | 0 | 0 | 112.1 | K162 Q163 R168 A169 Q170 | K162-F166 WeakPolarHBondContact O-CB 3.45Å; K162-F166 PolarHBondContact O-N 2.96Å; Q163-F166 PolarHBondContact O-N 3.34Å; F166-R168 PolarHBondContact O-N 3.26Å; F166-A169 PolarHBondContact O-N 3.34Å; F166-Q170 HydrophobicContact CE1-CG 4.27Å; F166-Q170 HydrophobicContact CZ-CG 4.46Å; F166-Q170 WeakPolarHBondContact O-CG 3.02Å; F166-Q170 PolarHBondContact O-N 2.96Å |
| 167 | Q | 90.3 | Very high | 81.6 | Confident | 109 Ų | 109 | 121.7 Ų | 121.7 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61 | -43.7 | 173.3 | -76.3 | 177.1 | -15.8 | 0 | 0 | 111.9 | Q163 A169 Q170 E171 | Q163-Q167 WeakPolarHBondContact O-CB 3.26Å; Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.3Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.49Å; Q167-Q170 PolarHBondContact O-N 3.29Å; Q167-E171 WeakPolarHBondContact O-CB 3.33Å; Q167-E171 PolarHBondContact O-N 3.01Å |
| 168 | R | 92 | Very high | 83 | Confident | 191 Ų | 191 | 116.3 Ų | 116.3 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 175.1 | -79 | -175.6 | 179.6 | -167.2 | -1.3 | 112.7 | K164 M165 F166 E171 L172 | K164-R168 WeakPolarHBondContact O-CB 3.42Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.45Å; M165-R168 PolarHBondContact O-N 3.23Å; F166-R168 PolarHBondContact O-N 3.26Å; R168-E171 PolarHBondContact O-N 3.19Å; R168-L172 WeakPolarHBondContact O-CG 3.43Å; R168-L172 PolarHBondContact O-N 3.07Å |
| 169 | A | 91.4 | Very high | 83.9 | Confident | 57 Ų | 57 | 115.6 Ų | 115.6 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M165 F166 Q167 L172 R173 | M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.29Å; F166-A169 PolarHBondContact O-N 3.34Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.49Å; A169-L172 PolarHBondContact O-N 2.98Å; A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.45Å |
| 170 | Q | 91.7 | Very high | 84.4 | Confident | 90 Ų | 90 | 118 Ų | 118 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 174.1 | -73.9 | -173.7 | -23.2 | 0 | 0 | 112.3 | F166 Q167 R173 R174 | F166-Q170 HydrophobicContact CE1-CG 4.27Å; F166-Q170 HydrophobicContact CZ-CG 4.46Å; F166-Q170 WeakPolarHBondContact O-CG 3.02Å; F166-Q170 PolarHBondContact O-N 2.96Å; Q167-Q170 PolarHBondContact O-N 3.29Å; Q170-R173 WeakPolarHBondContact O-CB 3.43Å; Q170-R173 PolarHBondContact O-N 3.36Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.37Å |
| 171 | E | 92.2 | Very high | 84.3 | Confident | 75 Ų | 75 | 120.2 Ų | 120.2 | 35% | 0.35 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 176.2 | 178.6 | 60.6 | -166 | 0 | 0 | 112 | Q167 R168 R173 R174 R175 | Q167-E171 WeakPolarHBondContact O-CB 3.33Å; Q167-E171 PolarHBondContact O-N 3.01Å; R168-E171 PolarHBondContact O-N 3.19Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 2.96Å; E171-R174 PolarHBondContact O-N 3.24Å; E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-N 3.13Å; E171-R175 IonicContact OE1-CZ 2.76Å; E171-R175 VanDerWaalsContact OE1-CZ 3.27Å; E171-R175 IonicContact OE1-NE 3.02Å; E171-R175 PolarHBondContact OE1-NE 2.85Å; E171-R175 IonicContact OE1-NH2 3.91Å; E171-R175 PolarHBondContact OE1-NH2 3.46Å |
| 172 | L | 92.8 | Very high | 84 | Confident | 111 Ų | 111 | 117.2 Ų | 117.2 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.4 | -38.9 | 174.4 | -74.4 | 171.8 | 0 | 0 | 0 | 112 | R168 A169 R175 A176 | R168-L172 WeakPolarHBondContact O-CG 3.43Å; R168-L172 PolarHBondContact O-N 3.07Å; A169-L172 PolarHBondContact O-N 2.98Å; L172-R175 PolarHBondContact O-N 2.97Å; L172-A176 WeakPolarHBondContact O-CB 3.48Å; L172-A176 PolarHBondContact O-N 3.24Å |
| 173 | R | 88.4 | Confident | 83.7 | Confident | 174 Ų | 174 | 116.4 Ų | 116.4 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 174.9 | -178.3 | 178.1 | 173.3 | 165.4 | 3.7 | 111.7 | A169 Q170 E171 R175 A176 E177 | A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.45Å; Q170-R173 WeakPolarHBondContact O-CB 3.43Å; Q170-R173 PolarHBondContact O-N 3.36Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 2.96Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.99Å; R173-A176 PolarHBondContact O-N 2.94Å; R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 2.89Å; R173-E177 IonicContact NE-OE1 3.27Å; R173-E177 PolarHBondContact NE-OE1 3.41Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 2.97Å |
| 174 | R | 86.6 | Confident | 83.2 | Confident | 158 Ų | 158 | 112.1 Ų | 112.1 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 176 | -73.2 | 179.7 | 179.1 | -178.6 | -1.2 | 111.7 | Q170 E171 A176 E177 D178 | Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.37Å; E171-R174 PolarHBondContact O-N 3.24Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 3.43Å; R174-E177 PolarHBondContact O-N 3.47Å; R174-D178 WeakPolarHBondContact O-CB 3.46Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.31Å |
| 175 | R | 86.3 | Confident | 82.5 | Confident | 150 Ų | 150 | 108.8 Ų | 108.8 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | 175.5 | -71.8 | -178.9 | -166.5 | 173.1 | 0.6 | 113.3 | E171 L172 R173 D178 Y179 | E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-N 3.13Å; E171-R175 IonicContact OE1-CZ 2.76Å; E171-R175 VanDerWaalsContact OE1-CZ 3.27Å; E171-R175 IonicContact OE1-NE 3.02Å; E171-R175 PolarHBondContact OE1-NE 2.85Å; E171-R175 IonicContact OE1-NH2 3.91Å; E171-R175 PolarHBondContact OE1-NH2 3.46Å; L172-R175 PolarHBondContact O-N 2.97Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.99Å; R175-D178 PolarHBondContact O-N 2.94Å; R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.5Å; R175-Y179 PolarHBondContact O-N 3.45Å |
| 176 | A | 83.9 | Confident | 81.4 | Confident | 61 Ų | 61 | 108.4 Ų | 108.4 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L172 R173 R174 Y179 H180 | L172-A176 WeakPolarHBondContact O-CB 3.48Å; L172-A176 PolarHBondContact O-N 3.24Å; R173-A176 PolarHBondContact O-N 2.94Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 3.43Å; A176-Y179 PolarHBondContact O-N 3.26Å; A176-H180 WeakPolarHBondContact O-CB 3.44Å; A176-H180 PolarHBondContact O-N 3.49Å |
| 177 | E | 80.5 | Confident | 80.4 | Confident | 84 Ų | 84 | 106.4 Ų | 106.4 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 174.8 | -72 | 171.9 | -166.2 | 0 | 0 | 111.5 | R173 R174 H180 K181 | R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 2.89Å; R173-E177 IonicContact NE-OE1 3.27Å; R173-E177 PolarHBondContact NE-OE1 3.41Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 2.97Å; R174-E177 PolarHBondContact O-N 3.47Å; E177-H180 PolarHBondContact O-N 2.94Å; E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.91Å |
| 178 | D | 83.8 | Confident | 79.3 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.7 | -37.2 | 177.5 | -68.6 | -23.2 | 0 | 0 | 0 | 112.2 | R174 R175 H180 K181 C182 | R174-D178 WeakPolarHBondContact O-CB 3.46Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.31Å; R175-D178 PolarHBondContact O-N 2.94Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.39Å; D178-K181 WeakPolarHBondContact O-CB 3.3Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.15Å; D178-K181 PolarHBondContact OD1-NZ 3.02Å; D178-K181 VanDerWaalsContact OD1-NZ 3.15Å; D178-C182 PolarHBondContact O-N 3.46Å; D178-C182 PolarHBondContact O-SG 3.26Å; D178-C182 VanDerWaalsContact O-SG 3.32Å |
| 179 | Y | 74.1 | Confident | 78.1 | Confident | 144 Ų | 144 | 98.5 Ų | 98.5 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 170.4 | -176.5 | -101.1 | 0 | 0 | 0 | 111.9 | R175 A176 C182 K183 | R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.5Å; R175-Y179 PolarHBondContact O-N 3.45Å; A176-Y179 PolarHBondContact O-N 3.26Å; Y179-C182 PolarHBondContact O-N 3.42Å; Y179-K183 HydrophobicContact CD1-CD 4.17Å; Y179-K183 HydrophobicContact CE1-CD 3.53Å; Y179-K183 HydrophobicContact CE1-CG 4.35Å; Y179-K183 WeakPolarHBondContact O-CB 3.26Å; Y179-K183 PolarHBondContact O-N 2.94Å; Y179-K183 WeakPolarHBondContact OH-CE 3.41Å; Y179-K183 PolarHBondContact OH-NZ 2.82Å |
| 180 | H | 71.1 | Confident | 77 | Confident | 118 Ų | 118 | 103.3 Ų | 103.3 | 55% | 0.546 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 175.4 | -171.9 | 71.2 | 0 | 0 | 0 | 112 | A176 E177 D178 K183 I184 | A176-H180 WeakPolarHBondContact O-CB 3.44Å; A176-H180 PolarHBondContact O-N 3.49Å; E177-H180 PolarHBondContact O-N 2.94Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.39Å; H180-K183 PolarHBondContact O-N 3.5Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.46Å; H180-I184 VanDerWaalsContact NE2-CD1 3.26Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CG1 3.42Å; H180-I184 PolarHBondContact O-N 3.31Å |
| 181 | K | 69 | Low | 76 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 171.7 | -73.9 | 172 | -165.6 | 160.7 | 0 | 110.9 | E177 D178 K183 I184 R189 | E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.91Å; D178-K181 WeakPolarHBondContact O-CB 3.3Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.15Å; D178-K181 PolarHBondContact OD1-NZ 3.02Å; D178-K181 VanDerWaalsContact OD1-NZ 3.15Å; K181-K183 VanDerWaalsContact C-N 3.29Å; K181-K183 PolarHBondContact O-N 2.88Å; K181-I184 PolarHBondContact O-N 3.03Å; K181-I184 VanDerWaalsContact O-O 3.07Å; K181-R189 VanDerWaalsContact CA-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.94Å |
| 182 | C | 68.8 | Low | 74.9 | Confident | 116 Ų | 116 | 102.7 Ų | 102.7 | 78% | 0.784 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -28 | -178 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | D178 Y179 | D178-C182 PolarHBondContact O-N 3.46Å; D178-C182 PolarHBondContact O-SG 3.26Å; D178-C182 VanDerWaalsContact O-SG 3.32Å; Y179-C182 PolarHBondContact O-N 3.42Å |
| 183 | K | 71.6 | Confident | 73.6 | Confident | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -79.7 | -25.8 | 176.7 | -86 | -167.5 | 163.1 | -177 | 0 | 114.8 | Y179 H180 K181 P185 | Y179-K183 HydrophobicContact CD1-CD 4.17Å; Y179-K183 HydrophobicContact CE1-CD 3.53Å; Y179-K183 HydrophobicContact CE1-CG 4.35Å; Y179-K183 WeakPolarHBondContact O-CB 3.26Å; Y179-K183 PolarHBondContact O-N 2.94Å; Y179-K183 WeakPolarHBondContact OH-CE 3.41Å; Y179-K183 PolarHBondContact OH-NZ 2.82Å; H180-K183 PolarHBondContact O-N 3.5Å; K181-K183 VanDerWaalsContact C-N 3.29Å; K181-K183 PolarHBondContact O-N 2.88Å; K183-P185 WeakPolarHBondContact O-CD 3.3Å |
| 184 | I | 67.9 | Low | 72.9 | Confident | 32 Ų | 32 | 97.6 Ų | 97.6 | 16% | 0.164 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -98.4 | 112.4 | 179.4 | -56.3 | -179.6 | 0 | 0 | 0 | 109.3 | H180 K181 A188 R189 | H180-I184 WeakPolarHBondContact CE1-CD1 3.46Å; H180-I184 VanDerWaalsContact NE2-CD1 3.26Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CG1 3.42Å; H180-I184 PolarHBondContact O-N 3.31Å; K181-I184 PolarHBondContact O-N 3.03Å; K181-I184 VanDerWaalsContact O-O 3.07Å; I184-A188 HydrophobicContact CG2-CB 3.71Å; I184-R189 HydrophobicContact CB-CG 4.03Å; I184-R189 HydrophobicContact CG2-CB 4.47Å; I184-R189 HydrophobicContact CG2-CG 3.46Å; I184-R189 VanDerWaalsContact CG2-CG 3.46Å; I184-R189 PolarHBondContact O-NE 3.02Å |
| 185 | P | 72.1 | Confident | 72.3 | Confident | 70 Ų | 70 | 98.6 Ų | 98.6 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | trans | -58.4 | 145.1 | 176.4 | 20.8 | -28.4 | 0 | 0 | 0 | 110.3 | K183 S187 A188 R189 | K183-P185 WeakPolarHBondContact O-CD 3.3Å; P185-S187 PolarHBondContact O-N 2.97Å; P185-A188 HydrophobicContact CG-CB 3.89Å; P185-A188 PolarHBondContact O-N 3.36Å; P185-R189 PolarHBondContact O-N 3.37Å | ||
| 186 | P | 67.4 | Low | 71.8 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 66% | 0.656 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -53.1 | -31.3 | -175.6 | -27.6 | 34.2 | 0 | 0 | 0 | 114.3 | R189 K190 | P186-R189 PolarHBondContact O-N 2.88Å; P186-K190 PolarHBondContact O-N 3.41Å |
| 187 | S | 66.3 | Low | 71.1 | Confident | 86 Ų | 86 | 101.6 Ų | 101.6 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 175 | 52.5 | 0 | 0 | 0 | 0 | 113 | P185 R189 K190 A191 | P185-S187 PolarHBondContact O-N 2.97Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.49Å; S187-K190 PolarHBondContact O-N 2.88Å; S187-A191 PolarHBondContact O-N 2.84Å |
| 188 | A | 66.6 | Low | 70.4 | Confident | 36 Ų | 36 | 103.7 Ų | 103.7 | 30% | 0.298 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.4 | -29.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I184 P185 A191 L192 | I184-A188 HydrophobicContact CG2-CB 3.71Å; P185-A188 HydrophobicContact CG-CB 3.89Å; P185-A188 PolarHBondContact O-N 3.36Å; A188-A191 PolarHBondContact O-N 3.43Å; A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.92Å |
| 189 | R | 67.4 | Low | 69.4 | Low | 98 Ų | 98 | 101.3 Ų | 101.3 | 37% | 0.37 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 172.9 | -62.5 | -168.4 | -152.3 | 160 | 12.8 | 112.3 | K181 I184 P185 P186 S187 L192 C193 | K181-R189 VanDerWaalsContact CA-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.94Å; I184-R189 HydrophobicContact CB-CG 4.03Å; I184-R189 HydrophobicContact CG2-CB 4.47Å; I184-R189 HydrophobicContact CG2-CG 3.46Å; I184-R189 VanDerWaalsContact CG2-CG 3.46Å; I184-R189 PolarHBondContact O-NE 3.02Å; P185-R189 PolarHBondContact O-N 3.37Å; P186-R189 PolarHBondContact O-N 2.88Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.49Å; R189-L192 PolarHBondContact O-N 3.24Å; R189-C193 WeakPolarHBondContact O-CB 3.28Å; R189-C193 PolarHBondContact O-N 2.81Å; R189-C193 PolarHBondContact O-SG 2.75Å; R189-C193 VanDerWaalsContact O-SG 3.4Å |
| 190 | K | 69.4 | Low | 68.7 | Low | 159 Ų | 159 | 96.7 Ų | 96.7 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 175.3 | -77.8 | -175.1 | 177.7 | -179.4 | 0 | 111.4 | P186 S187 C193 N194 | P186-K190 PolarHBondContact O-N 3.41Å; S187-K190 PolarHBondContact O-N 2.88Å; K190-C193 PolarHBondContact O-N 3.02Å; K190-N194 WeakPolarHBondContact O-CB 3.48Å; K190-N194 PolarHBondContact O-N 3.19Å |
| 191 | A | 69.9 | Low | 68.3 | Low | 60 Ų | 60 | 92.7 Ų | 92.7 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S187 A188 N194 W195 | S187-A191 PolarHBondContact O-N 2.84Å; A188-A191 PolarHBondContact O-N 3.43Å; A191-N194 PolarHBondContact O-N 3.33Å; A191-W195 WeakPolarHBondContact O-CB 3.44Å; A191-W195 PolarHBondContact O-N 2.81Å |
| 192 | L | 68.4 | Low | 67.6 | Low | 91 Ų | 91 | 95 Ų | 95 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.4 | -116.4 | 139.8 | 0 | 0 | 0 | 112.5 | A188 R189 N194 W195 V196 | A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.92Å; R189-L192 PolarHBondContact O-N 3.24Å; L192-N194 VanDerWaalsContact C-N 3.34Å; L192-N194 PolarHBondContact O-N 3.02Å; L192-W195 PolarHBondContact O-N 3.05Å; L192-V196 WeakPolarHBondContact O-CB 3.22Å; L192-V196 VanDerWaalsContact O-CG2 3.28Å; L192-V196 WeakPolarHBondContact O-CG2 3.31Å; L192-V196 PolarHBondContact O-N 2.87Å |
| 193 | C | 66.9 | Low | 66.8 | Low | 80 Ų | 80 | 96.3 Ų | 96.3 | 54% | 0.541 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 176.2 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | R189 K190 R197 | R189-C193 WeakPolarHBondContact O-CB 3.28Å; R189-C193 PolarHBondContact O-N 2.81Å; R189-C193 PolarHBondContact O-SG 2.75Å; R189-C193 VanDerWaalsContact O-SG 3.4Å; K190-C193 PolarHBondContact O-N 3.02Å; C193-R197 WeakPolarHBondContact O-CB 3.31Å; C193-R197 WeakPolarHBondContact O-CG 3.49Å; C193-R197 PolarHBondContact O-N 3.06Å |
| 194 | N | 73.6 | Confident | 65.9 | Low | 99 Ų | 99 | 98.4 Ų | 98.4 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 175.7 | -74 | -9.3 | 0 | 0 | 0 | 111.4 | K190 A191 L192 R197 M198 | K190-N194 WeakPolarHBondContact O-CB 3.48Å; K190-N194 PolarHBondContact O-N 3.19Å; A191-N194 PolarHBondContact O-N 3.33Å; L192-N194 VanDerWaalsContact C-N 3.34Å; L192-N194 PolarHBondContact O-N 3.02Å; N194-R197 PolarHBondContact O-N 3.24Å; N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 PolarHBondContact O-N 3.19Å |
| 195 | W | 74.2 | Confident | 65.1 | Low | 178 Ų | 178 | 105 Ų | 105 | 67% | 0.674 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 174.7 | -178.2 | 72.9 | 0 | 0 | 0 | 112.1 | A191 L192 R197 M198 A199 | A191-W195 WeakPolarHBondContact O-CB 3.44Å; A191-W195 PolarHBondContact O-N 2.81Å; L192-W195 PolarHBondContact O-N 3.05Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 2.89Å; W195-M198 PolarHBondContact O-N 3.35Å; W195-A199 WeakPolarHBondContact O-CB 3.46Å; W195-A199 PolarHBondContact O-N 2.84Å |
| 196 | V | 74.3 | Confident | 64.1 | Low | 82 Ų | 82 | 106.9 Ų | 106.9 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -38.9 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L192 A200 | L192-V196 WeakPolarHBondContact O-CB 3.22Å; L192-V196 VanDerWaalsContact O-CG2 3.28Å; L192-V196 WeakPolarHBondContact O-CG2 3.31Å; L192-V196 PolarHBondContact O-N 2.87Å; V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.62Å |
| 197 | R | 70.3 | Confident | 63.5 | Low | 192 Ų | 192 | 105.3 Ų | 105.3 | 73% | 0.725 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.7 | -38.2 | 173.8 | -80.9 | -176.4 | 75.7 | 171 | 3.1 | 112.5 | C193 N194 W195 A201 | C193-R197 WeakPolarHBondContact O-CB 3.31Å; C193-R197 WeakPolarHBondContact O-CG 3.49Å; C193-R197 PolarHBondContact O-N 3.06Å; N194-R197 PolarHBondContact O-N 3.24Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 2.89Å; R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.35Å |
| 198 | M | 66.4 | Low | 63 | Low | 129 Ų | 129 | 105 Ų | 105 | 64% | 0.635 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -47.5 | 176 | -84.4 | -166.2 | 50 | 0 | 0 | 111.8 | N194 W195 A200 A201 E202 | N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 PolarHBondContact O-N 3.19Å; W195-M198 PolarHBondContact O-N 3.35Å; M198-A200 VanDerWaalsContact C-N 3.27Å; M198-A200 PolarHBondContact O-N 3.23Å; M198-A201 CarbonylContact O-C 3.53Å; M198-A201 WeakPolarHBondContact O-CA 3.29Å; M198-A201 WeakPolarHBondContact O-CB 3.47Å; M198-A201 PolarHBondContact O-N 3.45Å; M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.44Å; M198-E202 PolarHBondContact O-N 3.32Å |
| 199 | A | 62.3 | Low | 62.1 | Low | 29 Ų | 29 | 110 Ų | 110 | 24% | 0.24 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -60.3 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W195 E202 H203 | W195-A199 WeakPolarHBondContact O-CB 3.46Å; W195-A199 PolarHBondContact O-N 2.84Å; A199-E202 PolarHBondContact O-N 3.27Å; A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-CD2 3.42Å; A199-H203 VanDerWaalsContact O-CD2 3.3Å; A199-H203 PolarHBondContact O-N 3.31Å |
| 200 | A | 59.4 | Low | 61 | Low | 46 Ų | 46 | 110.3 Ų | 110.3 | 38% | 0.38 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.9 | -32.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | V196 M198 R204 | V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.62Å; M198-A200 VanDerWaalsContact C-N 3.27Å; M198-A200 PolarHBondContact O-N 3.23Å; A200-R204 VanDerWaalsContact O-CG 3.29Å; A200-R204 WeakPolarHBondContact O-CG 3.46Å; A200-R204 PolarHBondContact O-N 2.91Å |
| 201 | A | 61.2 | Low | 59.8 | Low | 35 Ų | 35 | 110.4 Ų | 110.4 | 29% | 0.289 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.7 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R197 M198 R204 H205 | R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.35Å; M198-A201 CarbonylContact O-C 3.53Å; M198-A201 WeakPolarHBondContact O-CA 3.29Å; M198-A201 WeakPolarHBondContact O-CB 3.47Å; M198-A201 PolarHBondContact O-N 3.45Å; A201-R204 WeakPolarHBondContact O-CA 3.33Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; A201-R204 PolarHBondContact O-N 3.15Å; A201-H205 PolarHBondContact O-CD2 2.93Å; A201-H205 PolarHBondContact O-N 2.85Å |
| 202 | E | 56.2 | Low | 58.5 | Low | 139 Ų | 139 | 118.1 Ų | 118.1 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.6 | -41 | 175.7 | -165 | 166.8 | -168.6 | 0 | 0 | 110.8 | M198 A199 R204 H205 S206 | M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.44Å; M198-E202 PolarHBondContact O-N 3.32Å; A199-E202 PolarHBondContact O-N 3.27Å; E202-R204 VanDerWaalsContact C-N 3.27Å; E202-R204 PolarHBondContact O-N 3.49Å; E202-H205 PolarHBondContact O-N 3.46Å; E202-S206 PolarHBondContact O-N 3.02Å |
| 203 | H | 51.3 | Low | 57.6 | Low | 144 Ų | 144 | 117.4 Ų | 117.4 | 67% | 0.667 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.8 | -29.2 | 168.1 | -91.3 | -72.3 | 0 | 0 | 0 | 113.8 | A199 S207 | A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-CD2 3.42Å; A199-H203 VanDerWaalsContact O-CD2 3.3Å; A199-H203 PolarHBondContact O-N 3.31Å; H203-S207 PolarHBondContact O-OG 3.3Å |
| 204 | R | 51.8 | Low | 56.5 | Low | 181 Ų | 181 | 123.9 Ų | 123.9 | 68% | 0.683 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.7 | -26.7 | 176.9 | -77.1 | 171.2 | 177.5 | 172 | -1.4 | 113.4 | A200 A201 E202 | A200-R204 VanDerWaalsContact O-CG 3.29Å; A200-R204 WeakPolarHBondContact O-CG 3.46Å; A200-R204 PolarHBondContact O-N 2.91Å; A201-R204 WeakPolarHBondContact O-CA 3.33Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; A201-R204 PolarHBondContact O-N 3.15Å; E202-R204 VanDerWaalsContact C-N 3.27Å; E202-R204 PolarHBondContact O-N 3.49Å |
| 205 | H | 50.9 | Low | 55.4 | Low | 169 Ų | 169 | 124.5 Ų | 124.5 | 78% | 0.782 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -89.7 | -20.9 | 179.9 | -66.8 | -61.6 | 0 | 0 | 0 | 113 | A201 E202 | A201-H205 PolarHBondContact O-CD2 2.93Å; A201-H205 PolarHBondContact O-N 2.85Å; E202-H205 PolarHBondContact O-N 3.46Å |
| 206 | S | 51.4 | Low | 54.5 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -95.5 | -11.6 | -176.9 | -157.7 | 0 | 0 | 0 | 0 | 115.1 | E202 | E202-S206 PolarHBondContact O-N 3.02Å |
| 207 | S | 55.8 | Low | 53.4 | Low | 68 Ų | 68 | 120.1 Ų | 120.1 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -98.7 | -10.8 | -171.2 | 67.5 | 0 | 0 | 0 | 0 | 116.1 | H203 L209 | H203-S207 PolarHBondContact O-OG 3.3Å; S207-L209 WeakPolarHBondContact O-CG 3.4Å; S207-L209 PolarHBondContact O-N 3.22Å |
| 208 | G | 55 | Low | 52.5 | Low | 81 Ų | 81 | 116.9 Ų | 116.9 | 84% | 0.835 | 62% | 0.619 | S | S | * | * | trans | 54.6 | 3.6 | 173 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 209 | L | 48.3 | Very low | 51.7 | Low | 139 Ų | 139 | 113.8 Ų | 113.8 | 73% | 0.728 | 61% | 0.607 | S | S | * | * | trans | -100.7 | 137 | -172.8 | -78.5 | 168 | 0 | 0 | 0 | 110.8 | S207 Y211 | S207-L209 WeakPolarHBondContact O-CG 3.4Å; S207-L209 PolarHBondContact O-N 3.22Å; L209-Y211 PolarHBondContact O-N 3.4Å | ||
| 210 | P | 44.9 | Very low | 51.3 | Low | 106 Ų | 106 | 117 Ų | 117 | 69% | 0.688 | 62% | 0.62 | S | S | * | * | trans | -63.1 | 121.1 | 176.4 | 25.2 | -30.9 | 0 | 0 | 0 | 109.6 | W212 | P210-W212 PolarHBondContact O-N 2.92Å; P210-W212 VanDerWaalsContact O-N 3.13Å | ||
| 211 | Y | 42.7 | Very low | 50.9 | Low | 161 Ų | 161 | 121.9 Ų | 121.9 | 63% | 0.631 | 63% | 0.633 | S | S | * | * | trans | -65.3 | 108 | 176.9 | 172.2 | -106.1 | 0 | 0 | 0 | 110.1 | L209 P213 | L209-Y211 PolarHBondContact O-N 3.4Å; Y211-P213 HydrophobicContact CD1-CB 4.27Å; Y211-P213 HydrophobicContact CD1-CG 4.07Å; Y211-P213 HydrophobicContact CE1-CB 3.5Å; Y211-P213 VanDerWaalsContact CE1-CB 3.5Å; Y211-P213 HydrophobicContact CE1-CG 3.74Å; Y211-P213 WeakPolarHBondContact O-CD 3.42Å | ||
| 212 | W | 42.9 | Very low | 50.6 | Low | 221 Ų | 221 | 125.2 Ų | 125.2 | 84% | 0.837 | 65% | 0.646 | S | S | * | * | trans | -80.5 | 114.2 | 160.3 | -87.5 | 90.3 | 0 | 0 | 0 | 108.4 | P210 Y214 | P210-W212 PolarHBondContact O-N 2.92Å; P210-W212 VanDerWaalsContact O-N 3.13Å; W212-Y214 PolarHBondContact O-N 2.93Å | ||
| 213 | P | 50.4 | Low | 50.5 | Low | 77 Ų | 77 | 127.5 Ų | 127.5 | 50% | 0.5 | 65% | 0.649 | S | S | . | * | trans | -70.9 | 106.6 | 178.5 | -0.5 | 16.2 | 0 | 0 | 0 | 107.9 | Y211 L215 | Y211-P213 HydrophobicContact CD1-CB 4.27Å; Y211-P213 HydrophobicContact CD1-CG 4.07Å; Y211-P213 HydrophobicContact CE1-CB 3.5Å; Y211-P213 VanDerWaalsContact CE1-CB 3.5Å; Y211-P213 HydrophobicContact CE1-CG 3.74Å; Y211-P213 WeakPolarHBondContact O-CD 3.42Å; P213-L215 PolarHBondContact O-N 2.96Å | ||
| 214 | Y | 43.5 | Very low | 50.4 | Low | 216 Ų | 216 | 128.4 Ų | 128.4 | 85% | 0.847 | 66% | 0.655 | S | S | * | * | trans | -58.7 | 113.6 | 153.4 | -98.1 | -91.4 | 0 | 0 | 0 | 106.4 | W212 T216 | W212-Y214 PolarHBondContact O-N 2.93Å; Y214-T216 PolarHBondContact O-N 3.45Å | ||
| 215 | L | 50.3 | Low | 50.4 | Low | 111 Ų | 111 | 123 Ų | 123 | 58% | 0.581 | 66% | 0.655 | S | S | * | * | trans | -46.9 | 100.1 | 172.8 | -89.7 | 138 | 0 | 0 | 0 | 109.3 | P213 T219 | P213-L215 PolarHBondContact O-N 2.96Å; L215-T219 HydrophobicContact CD2-CG2 3.92Å | ||
| 216 | T | 56.1 | Low | 50.6 | Low | 88 Ų | 88 | 122 Ų | 122 | 54% | 0.54 | 65% | 0.65 | S | S | . | * | trans | -62.9 | 142.2 | 177.2 | -19.6 | 0 | 0 | 0 | 0 | 108 | Y214 E218 T219 L220 | Y214-T216 PolarHBondContact O-N 3.45Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-T219 WeakPolarHBondContact O-CB 3.48Å; T216-T219 PolarHBondContact O-N 2.93Å; T216-L220 PolarHBondContact O-N 2.93Å | ||
| 217 | A | 50.3 | Low | 50.6 | Low | 80 Ų | 80 | 125.5 Ų | 125.5 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -52.9 | -24.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L220 K221 | A217-L220 PolarHBondContact O-N 3.38Å; A217-K221 VanDerWaalsContact O-CB 3.29Å; A217-K221 WeakPolarHBondContact O-CB 3.29Å; A217-K221 PolarHBondContact O-N 2.85Å |
| 218 | E | 52.3 | Low | 50.5 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 58% | 0.584 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.2 | -43.9 | 171.7 | -140.2 | 86.1 | -138.3 | 0 | 0 | 112.7 | T216 K221 N222 | T216-E218 PolarHBondContact O-N 3.49Å; E218-K221 PolarHBondContact O-N 3.42Å; E218-N222 VanDerWaalsContact O-CG 3.29Å; E218-N222 PolarHBondContact O-N 3.37Å; E218-N222 VanDerWaalsContact O-N 3.13Å; E218-N222 PolarHBondContact O-ND2 3.13Å |
| 219 | T | 48.8 | Very low | 50.5 | Low | 63 Ų | 63 | 128.8 Ų | 128.8 | 39% | 0.387 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70 | -34.4 | 178.7 | -44.1 | 0 | 0 | 0 | 0 | 111.5 | L215 T216 R223 | L215-T219 HydrophobicContact CD2-CG2 3.92Å; T216-T219 WeakPolarHBondContact O-CB 3.48Å; T216-T219 PolarHBondContact O-N 2.93Å; T219-R223 PolarHBondContact O-N 3.43Å |
| 220 | L | 53 | Low | 50.4 | Low | 98 Ų | 98 | 127.4 Ų | 127.4 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.8 | -35.6 | 177.8 | -148.2 | 142.9 | 0 | 0 | 0 | 111.3 | T216 A217 R223 M224 | T216-L220 PolarHBondContact O-N 2.93Å; A217-L220 PolarHBondContact O-N 3.38Å; L220-R223 PolarHBondContact O-N 3.32Å; L220-M224 PolarHBondContact O-N 3.37Å |
| 221 | K | 52.9 | Low | 50.2 | Low | 147 Ų | 147 | 128.4 Ų | 128.4 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.7 | -37.4 | 175 | -172.6 | -178.7 | 159.8 | -163.7 | 0 | 112.6 | A217 E218 R223 M224 | A217-K221 VanDerWaalsContact O-CB 3.29Å; A217-K221 WeakPolarHBondContact O-CB 3.29Å; A217-K221 PolarHBondContact O-N 2.85Å; E218-K221 PolarHBondContact O-N 3.42Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.46Å; K221-M224 PolarHBondContact O-N 3.34Å |
| 222 | N | 54.1 | Low | 50.2 | Low | 106 Ų | 106 | 127.5 Ų | 127.5 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -72.4 | -22.5 | 176.4 | -65.9 | -19.2 | 0 | 0 | 0 | 113.3 | E218 H226 | E218-N222 VanDerWaalsContact O-CG 3.29Å; E218-N222 PolarHBondContact O-N 3.37Å; E218-N222 VanDerWaalsContact O-N 3.13Å; E218-N222 PolarHBondContact O-ND2 3.13Å; N222-H226 PolarHBondContact O-ND1 3.34Å |
| 223 | R | 53.2 | Low | 49.9 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82 | -19.8 | 173.6 | -82.6 | -174.4 | 171.9 | -177.7 | -2 | 114.3 | T219 L220 K221 G225 | T219-R223 PolarHBondContact O-N 3.43Å; L220-R223 PolarHBondContact O-N 3.32Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.46Å; R223-G225 VanDerWaalsContact C-N 3.33Å |
| 224 | M | 49.4 | Very low | 49.4 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 80% | 0.803 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -10.1 | -177.5 | -140.3 | 152.8 | -134.4 | 0 | 0 | 113.6 | L220 K221 | L220-M224 PolarHBondContact O-N 3.37Å; K221-M224 PolarHBondContact O-N 3.34Å |
| 225 | G | 52.5 | Low | 48.8 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -1.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R223 | R223-G225 VanDerWaalsContact C-N 3.33Š|
| 226 | H | 55.2 | Low | 48.4 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -113.7 | 133.9 | 178.8 | -67.6 | 88.1 | 0 | 0 | 0 | 109.8 | N222 | N222-H226 PolarHBondContact O-ND1 3.34Š|
| 227 | Q | 50.3 | Low | 47.4 | Very low | 184 Ų | 184 | 129.5 Ų | 129.5 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 137 | 173.7 | -121.4 | -168.7 | 6.4 | 0 | 0 | 109.7 | ||
| 228 | P | 54 | Low | 46.9 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143.7 | 173.9 | 26.2 | -31.9 | 0 | 0 | 0 | 110.1 | ||
| 229 | P | 55.8 | Low | 46.2 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 149.6 | 174.2 | 26.8 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 230 | P | 46.9 | Very low | 45.5 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.9 | -176.8 | 25.8 | -32.9 | 0 | 0 | 0 | 111.7 | T232 | P230-T232 PolarHBondContact O-N 2.99Š|
| 231 | P | 39.6 | Very low | 44.9 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116 | -175.6 | 27.2 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 232 | T | 43.8 | Very low | 44.5 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 132.8 | 166.9 | -32.2 | 0 | 0 | 0 | 0 | 108.5 | P230 | P230-T232 PolarHBondContact O-N 2.99Š|
| 233 | Q | 35.8 | Very low | 43.6 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 131.4 | -164.7 | -63.1 | -168.3 | 52.8 | 0 | 0 | 114.2 | H235 | Q233-H235 PolarHBondContact O-N 3.17Š|
| 234 | Q | 39.1 | Very low | 42.9 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 112.5 | 160.9 | -71.9 | -178.7 | -25 | 0 | 0 | 108.5 | ||||
| 235 | H | 31 | Very low | 42.2 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -100.7 | 110.4 | 159.2 | -80.2 | -82 | 0 | 0 | 0 | 108.7 | Q233 | Q233-H235 PolarHBondContact O-N 3.17Š| ||
| 236 | S | 42.1 | Very low | 41.3 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -49.5 | 144.5 | 158.2 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 237 | I | 34.5 | Very low | 40.4 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | -163.8 | 112.4 | 128.7 | -85.2 | 135.2 | 0 | 0 | 0 | 106.9 | D239 | I237-D239 HydrophobicContact CG2-CB 4.05Š| |||
| 238 | T | 39.9 | Very low | 39.9 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -78.2 | 117.7 | 154.8 | -66.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 239 | D | 38.3 | Very low | 39 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | trans | -157.7 | 109.3 | 158 | -89.7 | -43.5 | 0 | 0 | 0 | 110.8 | I237 | I237-D239 HydrophobicContact CG2-CB 4.05Š| ||
| 240 | N | 34.3 | Very low | 38.1 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | 59.6 | 109.7 | 129.5 | -65.4 | -49.7 | 0 | 0 | 0 | 120.6 | |||||
| 241 | S | 40.9 | Very low | 37.5 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | 64.4 | 129.8 | 121.3 | -56.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 242 | L | 43.8 | Very low | 37.6 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | 85.4 | 78.9 | 149.3 | -143.4 | 95.5 | 0 | 0 | 0 | 117.9 | ||||
| 243 | S | 35.8 | Very low | 37.5 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -163.5 | 84.2 | 139.8 | -134.2 | 0 | 0 | 0 | 0 | 111.5 | K245 | S243-K245 VanDerWaalsContact C-N 3.25Å; S243-K245 PolarHBondContact O-N 3.39Å | ||
| 244 | L | 37.9 | Very low | 38 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 99% | 0.99 | 80% | 0.802 | S | S | * | * | trans | -68.6 | 92.5 | 153.3 | -86.3 | 160.6 | 0 | 0 | 0 | 106.5 | ||||
| 245 | K | 34.4 | Very low | 38.1 | Very low | 186 Ų | 186 | 142 Ų | 142 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | trans | -107.7 | 103.9 | 167.7 | -146.3 | 167.5 | -175.9 | 176.2 | 0 | 108 | S243 | S243-K245 VanDerWaalsContact C-N 3.25Å; S243-K245 PolarHBondContact O-N 3.39Å | ||
| 246 | T | 34.7 | Very low | 39 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -46 | 140.6 | 173.1 | 17 | 0 | 0 | 0 | 0 | 112.8 | ||
| 247 | P | 35.4 | Very low | 39 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 131.5 | 158.2 | 30.1 | -28.7 | 0 | 0 | 0 | 109.7 | ||
| 248 | P | 39.3 | Very low | 39.3 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 137.8 | -178.5 | 30.7 | -31.4 | 0 | 0 | 0 | 112.6 | ||
| 249 | E | 35.3 | Very low | 39.5 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | 69.9 | 89.2 | 136.7 | -64.2 | 177.1 | 178 | 0 | 0 | 119.1 | ||||
| 250 | C | 37.5 | Very low | 39.6 | Very low | 126 Ų | 126 | 138 Ų | 138 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -140.6 | 118.3 | 136.8 | -88.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 251 | L | 34.9 | Very low | 40.2 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | 120.7 | 101.6 | 167.8 | -62.7 | -160.9 | 0 | 0 | 0 | 112.5 | ||||
| 252 | L | 40.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -175.9 | 109.7 | 130.4 | -96.3 | 156 | 0 | 0 | 0 | 110.5 | ||||
| 253 | T | 42.7 | Very low | 40.6 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 139.8 | 156.3 | -36.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 254 | P | 45.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 129.1 | 178.1 | 30.1 | -31.1 | 0 | 0 | 0 | 111.1 | ||
| 255 | L | 42 | Very low | 40.7 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 136.9 | 162.8 | -165.4 | 72.6 | 0 | 0 | 0 | 108.3 | ||
| 256 | P | 48.8 | Very low | 40.7 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 163.7 | -174.8 | 28.6 | -35.2 | 0 | 0 | 0 | 114.1 | ||
| 257 | P | 43.7 | Very low | 41 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 151.7 | -169 | 30.3 | -34.9 | 0 | 0 | 0 | 114.7 | ||
| 258 | S | 40.1 | Very low | 41.3 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 140 | 175.6 | -170.1 | 0 | 0 | 0 | 0 | 114 | ||
| 259 | A | 43.6 | Very low | 41.4 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -127.7 | 137.2 | 157 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 260 | D | 41.6 | Very low | 41.8 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 82% | 0.822 | S | S | * | * | trans | -68.6 | 169 | -169.3 | -60.3 | -64.7 | 0 | 0 | 0 | 114.7 | ||||
| 261 | D | 45.2 | Very low | 42 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | 97.2 | 117.8 | 135.9 | -80.6 | -14.6 | 0 | 0 | 0 | 122 | ||||
| 262 | N | 44.4 | Very low | 42.5 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 68% | 0.679 | 82% | 0.817 | S | S | * | * | trans | 93.5 | 98.1 | 144 | -64.9 | -54.4 | 0 | 0 | 0 | 121.5 | ||||
| 263 | L | 49.7 | Very low | 42.7 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 71% | 0.707 | 81% | 0.811 | S | S | * | * | 48.6 | 116.9 | 116.6 | -87.5 | 138 | 0 | 0 | 0 | 120.9 | |||||
| 264 | K | 38.5 | Very low | 42.7 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 79 | 126.3 | 135 | -87 | 173.3 | -175.8 | -179 | 0 | 121.1 | ||||
| 265 | K | 37.2 | Very low | 42.5 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -46.2 | 144.7 | 151.6 | -90.4 | 176.2 | 165.3 | 179.5 | 0 | 112.5 | ||||
| 266 | L | 34.8 | Very low | 42.5 | Very low | 245 Ų | 245 | 145.7 Ų | 145.7 | 100% | 1.283 | 81% | 0.808 | S | S | * | * | trans | 68.4 | 0 | 159.9 | -86.9 | 152.9 | 0 | 0 | 0 | 116.7 |
Retrieved 266 of 266 residues in 218 ms
(Link to these results)