| 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 | 54.3 | Low | 59.6 | Low | 254 Ų | 254 | 141.5 Ų | 141.5 | 100% | 1.251 | 83% | 0.827 | S | S | * | * | 0 | 83.3 | 0 | -65.8 | -69.7 | -166.4 | 0 | 0 | 108 | |||||
| 2 | A | 54.8 | Low | 59.7 | Low | 101 Ų | 101 | 139.5 Ų | 139.5 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -121.5 | 115.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | L | 58.4 | Low | 59.8 | Low | 177 Ų | 177 | 135.2 Ų | 135.2 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | trans | -83.4 | 123.3 | -178.5 | -80.4 | 157.2 | 0 | 0 | 0 | 109.9 | ||||
| 4 | L | 61.6 | Low | 59.9 | Low | 169 Ų | 169 | 136.5 Ų | 136.5 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -67.9 | 127.4 | 174.3 | -92.6 | 130 | 0 | 0 | 0 | 111.7 | ||||
| 5 | P | 60.1 | Low | 60 | Low | 129 Ų | 129 | 131.3 Ų | 131.3 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -96.4 | 108 | 169.1 | 33.7 | -23.7 | 0 | 0 | 0 | 109 | ||||
| 6 | G | 61.4 | Low | 60 | Low | 64 Ų | 64 | 130.3 Ų | 130.3 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | trans | -160.7 | 39.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 7 | M | 62.3 | Low | 60 | Low | 167 Ų | 167 | 129.5 Ų | 129.5 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | trans | -143.2 | 13.9 | 179.2 | -73.9 | -59.8 | -78.1 | 0 | 0 | 116.1 | ||||
| 8 | L | 60.1 | Low | 60.1 | Low | 158 Ų | 158 | 127.2 Ų | 127.2 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -102.1 | 3.1 | -171.5 | -88.1 | 154.7 | 0 | 0 | 0 | 116.9 | ||||
| 9 | C | 60.8 | Low | 60 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -94.4 | -1.8 | -173.7 | -91.5 | 0 | 0 | 0 | 0 | 117 | ||
| 10 | L | 60.6 | Low | 60 | Low | 135 Ų | 135 | 125.8 Ų | 125.8 | 71% | 0.707 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -84 | -20.2 | -173.9 | -78 | 159.3 | 0 | 0 | 0 | 118.1 | ||
| 11 | P | 61 | Low | 59.7 | Low | 92 Ų | 92 | 130.1 Ų | 130.1 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -81.7 | -22.7 | -178.3 | 0.9 | 12.4 | 0 | 0 | 0 | 114.5 | ||
| 12 | I | 61.5 | Low | 59.7 | Low | 118 Ų | 118 | 127.8 Ų | 127.8 | 61% | 0.605 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -79.9 | -31.3 | -170.2 | -60.8 | 173.7 | 0 | 0 | 0 | 111.7 | F14 | I12-F14 PolarHBondContact O-N 3.49Å |
| 13 | C | 61 | Low | 59.8 | Low | 83 Ų | 83 | 127 Ų | 127 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -71.7 | -29 | 178.9 | -65.7 | 0 | 0 | 0 | 0 | 113.3 | L17 | C13-L17 PolarHBondContact O-N 3.44Å |
| 14 | F | 61 | Low | 59.6 | Low | 154 Ų | 154 | 123.7 Ų | 123.7 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.4 | -33.9 | 177.6 | -103 | -87.1 | 0 | 0 | 0 | 112.9 | I12 L16 L17 C18 | I12-F14 PolarHBondContact O-N 3.49Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.24Å; F14-L17 PolarHBondContact O-N 3.45Å; F14-C18 PolarHBondContact O-N 3.45Å |
| 15 | A | 61.2 | Low | 59.3 | Low | 59 Ų | 59 | 119 Ų | 119 | 49% | 0.488 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.5 | -33 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 16 | L | 60.2 | Low | 59 | Low | 114 Ų | 114 | 117.1 Ų | 117.1 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.6 | -35.3 | 178.2 | -75.2 | 166.8 | 0 | 0 | 0 | 112.4 | F14 N19 I20 | F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.24Å; L16-N19 PolarHBondContact O-N 3.48Å; L16-I20 WeakPolarHBondContact O-CG1 3.49Å |
| 17 | L | 60 | Low | 58.7 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 62% | 0.618 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72 | -31.2 | 177.7 | -71.8 | 169.8 | 0 | 0 | 0 | 112.9 | C13 F14 R21 | C13-L17 PolarHBondContact O-N 3.44Å; F14-L17 PolarHBondContact O-N 3.45Å; L17-R21 PolarHBondContact O-N 3.5Å |
| 18 | C | 60.7 | Low | 58.3 | Low | 88 Ų | 88 | 125 Ų | 125 | 60% | 0.595 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.7 | -33.9 | 174.9 | -79.6 | 0 | 0 | 0 | 0 | 113.3 | F14 | F14-C18 PolarHBondContact O-N 3.45Å |
| 19 | N | 59.8 | Low | 58.2 | Low | 116 Ų | 116 | 121 Ų | 121 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.7 | -32.1 | 178.9 | -97.4 | -49.3 | 0 | 0 | 0 | 113.3 | L16 T23 | L16-N19 PolarHBondContact O-N 3.48Å; N19-T23 PolarHBondContact O-OG1 3.49Å |
| 20 | I | 58.3 | Low | 58 | Low | 109 Ų | 109 | 120.8 Ų | 120.8 | 56% | 0.559 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.2 | -33.6 | -179.4 | -60.9 | 169.2 | 0 | 0 | 0 | 110.8 | L16 W22 T23 | L16-I20 WeakPolarHBondContact O-CG1 3.49Å; I20-W22 PolarHBondContact O-N 3.48Å; I20-T23 PolarHBondContact O-OG1 3.09Å; I20-T23 VanDerWaalsContact O-OG1 3.09Å |
| 21 | R | 54.8 | Low | 58 | Low | 218 Ų | 218 | 120 Ų | 120 | 82% | 0.823 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.2 | -24.7 | -178.8 | -152.5 | 170.1 | 178.2 | 169.2 | -1.4 | 113.6 | L17 | L17-R21 PolarHBondContact O-N 3.5Å |
| 22 | W | 53.3 | Low | 58.1 | Low | 204 Ų | 204 | 120.7 Ų | 120.7 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.7 | -31 | 176.9 | -130 | 68.5 | 0 | 0 | 0 | 113.1 | I20 | I20-W22 PolarHBondContact O-N 3.48Å |
| 23 | T | 56.9 | Low | 58.3 | Low | 86 Ų | 86 | 117.8 Ų | 117.8 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -78 | -21 | -177.4 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | N19 I20 | N19-T23 PolarHBondContact O-OG1 3.49Å; I20-T23 PolarHBondContact O-OG1 3.09Å; I20-T23 VanDerWaalsContact O-OG1 3.09Å |
| 24 | V | 55.8 | Low | 58.7 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 64% | 0.642 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -85.8 | -29.4 | 177.6 | -177 | 0 | 0 | 0 | 0 | 112.4 | N26 | V24-N26 VanDerWaalsContact C-N 3.32Å; V24-N26 PolarHBondContact O-N 3.47Å |
| 25 | A | 53.7 | Low | 59.1 | Low | 70 Ų | 70 | 120.1 Ų | 120.1 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.6 | -23.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 26 | N | 54 | Low | 59.6 | Low | 91 Ų | 91 | 122.7 Ų | 122.7 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -88.1 | -5.5 | -174.3 | -149.7 | 10.7 | 0 | 0 | 0 | 114.6 | V24 T29 | V24-N26 VanDerWaalsContact C-N 3.32Å; V24-N26 PolarHBondContact O-N 3.47Å; N26-T29 PolarHBondContact O-OG1 3.16Å; N26-T29 VanDerWaalsContact O-OG1 3.06Å; N26-T29 PolarHBondContact OD1-OG1 3.03Å |
| 27 | K | 55.3 | Low | 60.1 | Low | 173 Ų | 173 | 122 Ų | 122 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -83.7 | -22.3 | 178.2 | -72.7 | -174 | 179.4 | -178.3 | 0 | 113.6 | ||
| 28 | R | 55 | Low | 60.6 | Low | 222 Ų | 222 | 125.3 Ų | 125.3 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.5 | -30.5 | 175.9 | -70.1 | -174.8 | -172.9 | 176.9 | 2.6 | 112.9 | L30 | R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.06Å |
| 29 | T | 56.8 | Low | 61 | Low | 75 Ų | 75 | 124 Ų | 124 | 46% | 0.46 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.7 | -24.1 | 176.9 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | N26 S33 | N26-T29 PolarHBondContact O-OG1 3.16Å; N26-T29 VanDerWaalsContact O-OG1 3.06Å; N26-T29 PolarHBondContact OD1-OG1 3.03Å; T29-S33 PolarHBondContact O-N 3.47Å; T29-S33 PolarHBondContact O-OG 3.21Å |
| 30 | L | 56.6 | Low | 61.4 | Low | 105 Ų | 105 | 124.3 Ų | 124.3 | 55% | 0.55 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -75 | -29.1 | -177.6 | -155 | 131.1 | 0 | 0 | 0 | 113.2 | R28 S33 H34 | R28-L30 VanDerWaalsContact C-N 3.33Å; R28-L30 PolarHBondContact O-N 3.06Å; L30-S33 WeakPolarHBondContact CA-OG 3.28Å; L30-S33 PolarHBondContact O-OG 2.95Å; L30-H34 PolarHBondContact O-N 2.75Å |
| 31 | H | 60.5 | Low | 61.9 | Low | 120 Ų | 120 | 121.7 Ų | 121.7 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.2 | -35.6 | 177.2 | -164.5 | -87 | 0 | 0 | 0 | 112 | R35 | H31-R35 PolarHBondContact O-N 3.49Å |
| 32 | D | 63 | Low | 62.2 | Low | 105 Ų | 105 | 113 Ų | 113 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73 | -36.2 | 177 | -80.1 | -20.6 | 0 | 0 | 0 | 112.8 | H34 R35 L36 | D32-H34 PolarHBondContact O-N 3.33Å; D32-R35 PolarHBondContact O-N 3.32Å; D32-L36 PolarHBondContact O-N 3.17Å |
| 33 | S | 66.2 | Low | 62.8 | Low | 58 Ų | 58 | 107.9 Ų | 107.9 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -37.7 | 173.7 | 37.7 | 0 | 0 | 0 | 0 | 112.1 | T29 L30 L36 V37 | T29-S33 PolarHBondContact O-N 3.47Å; T29-S33 PolarHBondContact O-OG 3.21Å; L30-S33 WeakPolarHBondContact CA-OG 3.28Å; L30-S33 PolarHBondContact O-OG 2.95Å; S33-L36 PolarHBondContact O-N 3.1Å; S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.34Å; S33-V37 PolarHBondContact O-N 2.91Å |
| 34 | H | 68.8 | Low | 62.9 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -37.2 | 172.6 | -105.7 | -73.6 | 0 | 0 | 0 | 113.3 | L30 D32 R38 | L30-H34 PolarHBondContact O-N 2.75Å; D32-H34 PolarHBondContact O-N 3.33Å; H34-R38 WeakPolarHBondContact O-CB 3.37Å; H34-R38 PolarHBondContact O-N 2.91Å; H34-R38 VanDerWaalsContact O-N 3.1Å |
| 35 | R | 70.9 | Confident | 63.1 | Low | 173 Ų | 173 | 111 Ų | 111 | 65% | 0.653 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.6 | -40.7 | 173.3 | -83.2 | -173.1 | 167.2 | -164.3 | -1.9 | 111.8 | H31 D32 R38 A39 | H31-R35 PolarHBondContact O-N 3.49Å; D32-R35 PolarHBondContact O-N 3.32Å; R35-R38 PolarHBondContact O-N 3.25Å; R35-A39 WeakPolarHBondContact O-CB 3.44Å; R35-A39 PolarHBondContact O-N 2.93Å |
| 36 | L | 70.7 | Confident | 63.5 | Low | 114 Ų | 114 | 117 Ų | 117 | 60% | 0.597 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -44.3 | 177.9 | -134.9 | 98.6 | 0 | 0 | 0 | 112 | D32 S33 R38 A39 H40 | D32-L36 PolarHBondContact O-N 3.17Å; S33-L36 PolarHBondContact O-N 3.1Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.44Å; L36-A39 PolarHBondContact O-N 3.44Å; L36-H40 PolarHBondContact O-N 3Å |
| 37 | V | 71.6 | Confident | 63.7 | Low | 99 Ų | 99 | 119.8 Ų | 119.8 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.6 | -40.1 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | S33 H40 A41 | S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.34Å; S33-V37 PolarHBondContact O-N 2.91Å; V37-H40 PolarHBondContact O-N 3.29Å; V37-A41 WeakPolarHBondContact O-CB 3.44Å; V37-A41 PolarHBondContact O-N 3.29Å |
| 38 | R | 70.8 | Confident | 64 | Low | 188 Ų | 188 | 117.9 Ų | 117.9 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69 | -36.6 | 178 | -150.5 | -180 | -71.6 | 173.9 | -2.6 | 112 | H34 R35 L36 G42 | H34-R38 WeakPolarHBondContact O-CB 3.37Å; H34-R38 PolarHBondContact O-N 2.91Å; H34-R38 VanDerWaalsContact O-N 3.1Å; R35-R38 PolarHBondContact O-N 3.25Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 3.44Å; R38-G42 PolarHBondContact O-N 3.23Å |
| 39 | A | 69.4 | Low | 64.2 | Low | 59 Ų | 59 | 111 Ų | 111 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.6 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R35 L36 A41 G42 L43 | R35-A39 WeakPolarHBondContact O-CB 3.44Å; R35-A39 PolarHBondContact O-N 2.93Å; L36-A39 PolarHBondContact O-N 3.44Å; A39-A41 PolarHBondContact O-N 3.35Å; A39-G42 PolarHBondContact O-N 2.97Å; A39-L43 PolarHBondContact O-N 3.19Å; A39-L43 VanDerWaalsContact O-N 3.13Å |
| 40 | H | 68.1 | Low | 64.3 | Low | 124 Ų | 124 | 113 Ų | 113 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.7 | -39.5 | 175.5 | -95.1 | -83.2 | 0 | 0 | 0 | 112.8 | L36 V37 G42 L43 A44 | L36-H40 PolarHBondContact O-N 3Å; V37-H40 PolarHBondContact O-N 3.29Å; H40-G42 VanDerWaalsContact C-N 3.3Å; H40-G42 PolarHBondContact O-N 3.13Å; H40-L43 PolarHBondContact O-N 3.39Å; H40-A44 PolarHBondContact O-N 3.39Å |
| 41 | A | 66.9 | Low | 64.6 | Low | 53 Ų | 53 | 115.2 Ų | 115.2 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.5 | -35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V37 A39 R45 | V37-A41 WeakPolarHBondContact O-CB 3.44Å; V37-A41 PolarHBondContact O-N 3.29Å; A39-A41 PolarHBondContact O-N 3.35Å; A41-R45 PolarHBondContact O-N 3.42Å |
| 42 | G | 62.7 | Low | 64.7 | Low | 37 Ų | 37 | 112.4 Ų | 112.4 | 38% | 0.381 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R38 A39 H40 R45 R46 | R38-G42 PolarHBondContact O-N 3.23Å; A39-G42 PolarHBondContact O-N 2.97Å; H40-G42 VanDerWaalsContact C-N 3.3Å; H40-G42 PolarHBondContact O-N 3.13Å; G42-R45 PolarHBondContact O-N 3.5Å; G42-R46 PolarHBondContact O-N 3.22Å |
| 43 | L | 64.5 | Low | 64.5 | Low | 95 Ų | 95 | 113.6 Ų | 113.6 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.4 | -41 | 175.9 | -72.2 | 171.8 | 0 | 0 | 0 | 112.2 | A39 H40 R45 R46 F47 | A39-L43 PolarHBondContact O-N 3.19Å; A39-L43 VanDerWaalsContact O-N 3.13Å; H40-L43 PolarHBondContact O-N 3.39Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.04Å; L43-R46 PolarHBondContact O-N 3.17Å; L43-R46 VanDerWaalsContact O-N 3.17Å; L43-F47 WeakPolarHBondContact O-CD2 3.42Å; L43-F47 PolarHBondContact O-N 3.5Å |
| 44 | A | 59.7 | Low | 64.2 | Low | 57 Ų | 57 | 115.8 Ų | 115.8 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.7 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | H40 R46 F47 E48 | H40-A44 PolarHBondContact O-N 3.39Å; A44-R46 PolarHBondContact O-N 3.25Å; A44-F47 PolarHBondContact O-N 3.48Å; A44-E48 PolarHBondContact O-N 2.94Å |
| 45 | R | 60.5 | Low | 63.9 | Low | 202 Ų | 202 | 112.7 Ų | 112.7 | 76% | 0.762 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.2 | -37.6 | 175.6 | -74.3 | -171.4 | -174.4 | -173.9 | 3.2 | 113.2 | A41 G42 L43 E48 S49 | A41-R45 PolarHBondContact O-N 3.42Å; G42-R45 PolarHBondContact O-N 3.5Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.04Å; R45-E48 PolarHBondContact O-N 3.45Å; R45-S49 PolarHBondContact O-N 3.47Å; R45-S49 VanDerWaalsContact O-N 3.08Å |
| 46 | R | 61.3 | Low | 63.4 | Low | 195 Ų | 195 | 112.5 Ų | 112.5 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.1 | -43.4 | 176 | -76.1 | -171.8 | -177.7 | 179.8 | 1.3 | 112 | G42 L43 A44 E48 S49 Q50 | G42-R46 PolarHBondContact O-N 3.22Å; L43-R46 PolarHBondContact O-N 3.17Å; L43-R46 VanDerWaalsContact O-N 3.17Å; A44-R46 PolarHBondContact O-N 3.25Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 3.04Å; R46-S49 PolarHBondContact O-N 3.43Å; R46-Q50 PolarHBondContact O-N 3.05Å; R46-Q50 VanDerWaalsContact O-N 3.1Å |
| 47 | F | 59.6 | Low | 62.8 | Low | 149 Ų | 149 | 114.7 Ų | 114.7 | 65% | 0.654 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.9 | -38.5 | 175.7 | -94.1 | -82.5 | 0 | 0 | 0 | 112.4 | L43 A44 Q50 K51 | L43-F47 WeakPolarHBondContact O-CD2 3.42Å; L43-F47 PolarHBondContact O-N 3.5Å; A44-F47 PolarHBondContact O-N 3.48Å; F47-Q50 PolarHBondContact O-N 3.08Å; F47-K51 WeakPolarHBondContact O-CB 3.49Å; F47-K51 PolarHBondContact O-N 3.25Å |
| 48 | E | 60.7 | Low | 62.8 | Low | 133 Ų | 133 | 113.3 Ų | 113.3 | 62% | 0.621 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.6 | -38.5 | -180 | -160.2 | 144.2 | -149.4 | 0 | 0 | 112.2 | A44 R45 R46 K51 V52 | A44-E48 PolarHBondContact O-N 2.94Å; R45-E48 PolarHBondContact O-N 3.45Å; R46-E48 VanDerWaalsContact C-N 3.3Å; R46-E48 PolarHBondContact O-N 3.04Å; E48-K51 PolarHBondContact O-N 2.91Å; E48-V52 WeakPolarHBondContact O-CG2 3.42Å; E48-V52 PolarHBondContact O-N 3.46Å; E48-V52 VanDerWaalsContact O-N 3.08Å |
| 49 | S | 58.8 | Low | 63 | Low | 79 Ų | 79 | 111.6 Ų | 111.6 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -43.7 | 174 | -139.3 | 0 | 0 | 0 | 0 | 112.1 | R45 R46 K51 V52 E53 | R45-S49 PolarHBondContact O-N 3.47Å; R45-S49 VanDerWaalsContact O-N 3.08Å; R46-S49 PolarHBondContact O-N 3.43Å; S49-K51 VanDerWaalsContact C-N 3.32Å; S49-K51 PolarHBondContact O-N 3.35Å; S49-V52 PolarHBondContact O-N 3.35Å; S49-E53 PolarHBondContact O-N 3.1Å; S49-E53 VanDerWaalsContact O-N 3.13Å |
| 50 | Q | 59.5 | Low | 63.1 | Low | 115 Ų | 115 | 113.8 Ų | 113.8 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -34.3 | 177.6 | -157.4 | 174.1 | 22.6 | 0 | 0 | 112.3 | R46 F47 E53 N54 | R46-Q50 PolarHBondContact O-N 3.05Å; R46-Q50 VanDerWaalsContact O-N 3.1Å; F47-Q50 PolarHBondContact O-N 3.08Å; Q50-E53 PolarHBondContact O-N 3.38Å; Q50-N54 WeakPolarHBondContact O-CB 3.45Å; Q50-N54 PolarHBondContact O-N 3.42Å; Q50-N54 VanDerWaalsContact O-N 3.07Å; Q50-N54 PolarHBondContact O-ND2 3.1Å |
| 51 | K | 62.3 | Low | 63.7 | Low | 152 Ų | 152 | 110.8 Ų | 110.8 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.5 | -35.7 | 174.7 | -164 | 175.2 | -177 | 178.2 | 0 | 112.3 | F47 E48 S49 A55 | F47-K51 WeakPolarHBondContact O-CB 3.49Å; F47-K51 PolarHBondContact O-N 3.25Å; E48-K51 PolarHBondContact O-N 2.91Å; S49-K51 VanDerWaalsContact C-N 3.32Å; S49-K51 PolarHBondContact O-N 3.35Å; K51-A55 WeakPolarHBondContact O-CB 3.37Å; K51-A55 PolarHBondContact O-N 3.2Å; K51-A55 VanDerWaalsContact O-N 3.1Å |
| 52 | V | 62 | Low | 64.4 | Low | 62 Ų | 62 | 111.7 Ų | 111.7 | 38% | 0.376 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.1 | -39.8 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | E48 S49 A55 R56 | E48-V52 WeakPolarHBondContact O-CG2 3.42Å; E48-V52 PolarHBondContact O-N 3.46Å; E48-V52 VanDerWaalsContact O-N 3.08Å; S49-V52 PolarHBondContact O-N 3.35Å; V52-A55 PolarHBondContact O-N 3.07Å; V52-R56 WeakPolarHBondContact O-CG 3.36Å; V52-R56 PolarHBondContact O-N 3.32Å |
| 53 | E | 60.2 | Low | 65.5 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.3 | -44.2 | 176.3 | -70.9 | -168.6 | 150.3 | 0 | 0 | 112.6 | S49 Q50 A55 R56 F57 | S49-E53 PolarHBondContact O-N 3.1Å; S49-E53 VanDerWaalsContact O-N 3.13Å; Q50-E53 PolarHBondContact O-N 3.38Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.48Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 2.87Å; E53-F57 PolarHBondContact O-N 3.18Å |
| 54 | N | 59.9 | Low | 66.7 | Low | 103 Ų | 103 | 120.2 Ų | 120.2 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.1 | -36.7 | 174.4 | -75.6 | -20.1 | 0 | 0 | 0 | 112.3 | Q50 S58 | Q50-N54 WeakPolarHBondContact O-CB 3.45Å; Q50-N54 PolarHBondContact O-N 3.42Å; Q50-N54 VanDerWaalsContact O-N 3.07Å; Q50-N54 PolarHBondContact O-ND2 3.1Å; N54-S58 WeakPolarHBondContact O-CB 3.4Å; N54-S58 PolarHBondContact O-N 3.08Å; N54-S58 PolarHBondContact O-OG 2.89Å |
| 55 | A | 61.9 | Low | 67.8 | Low | 48 Ų | 48 | 121.7 Ų | 121.7 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.9 | -36.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | K51 V52 E53 R59 | K51-A55 WeakPolarHBondContact O-CB 3.37Å; K51-A55 PolarHBondContact O-N 3.2Å; K51-A55 VanDerWaalsContact O-N 3.1Å; V52-A55 PolarHBondContact O-N 3.07Å; E53-A55 VanDerWaalsContact C-N 3.26Å; E53-A55 PolarHBondContact O-N 3.48Å; A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.39Å |
| 56 | R | 60.1 | Low | 69.1 | Low | 169 Ų | 169 | 115.4 Ų | 115.4 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.7 | -44.3 | 174.4 | -75.5 | 179.2 | 177.8 | -172.5 | 0.1 | 111.4 | V52 E53 S58 R59 L60 | V52-R56 WeakPolarHBondContact O-CG 3.36Å; V52-R56 PolarHBondContact O-N 3.32Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 2.87Å; R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.29Å; R56-R59 PolarHBondContact O-N 3.3Å; R56-R59 VanDerWaalsContact O-N 3.15Å; R56-L60 PolarHBondContact O-N 3.49Å |
| 57 | F | 59.3 | Low | 70.7 | Confident | 160 Ų | 160 | 112.3 Ų | 112.3 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 176.7 | -159.5 | -96.5 | 0 | 0 | 0 | 111.5 | E53 R59 L60 S61 | E53-F57 PolarHBondContact O-N 3.18Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 3.13Å; F57-L60 PolarHBondContact O-N 3.38Å; F57-S61 PolarHBondContact O-N 2.89Å; F57-S61 PolarHBondContact O-OG 3.3Å |
| 58 | S | 70.9 | Confident | 72.1 | Confident | 69 Ų | 69 | 114 Ų | 114 | 48% | 0.483 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | N54 R56 S61 L62 | N54-S58 WeakPolarHBondContact O-CB 3.4Å; N54-S58 PolarHBondContact O-N 3.08Å; N54-S58 PolarHBondContact O-OG 2.89Å; R56-S58 VanDerWaalsContact C-N 3.31Å; R56-S58 PolarHBondContact O-N 3.29Å; S58-S61 PolarHBondContact O-OG 2.98Å; S58-L62 WeakPolarHBondContact O-CB 3.49Å; S58-L62 PolarHBondContact O-N 2.86Å |
| 59 | R | 74.4 | Confident | 73.4 | Confident | 152 Ų | 152 | 114.2 Ų | 114.2 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.9 | -41.2 | 175.3 | -77.4 | 177.9 | 179.1 | -161.3 | -0.3 | 112.1 | A55 R56 F57 K63 | A55-R59 WeakPolarHBondContact O-CG 3.49Å; A55-R59 PolarHBondContact O-N 3.39Å; R56-R59 PolarHBondContact O-N 3.3Å; R56-R59 VanDerWaalsContact O-N 3.15Å; F57-R59 VanDerWaalsContact C-N 3.34Å; F57-R59 PolarHBondContact O-N 3.13Å; R59-K63 WeakPolarHBondContact O-CB 3.31Å; R59-K63 PolarHBondContact O-N 3.45Å |
| 60 | L | 72.4 | Confident | 75 | Confident | 106 Ų | 106 | 118.8 Ų | 118.8 | 56% | 0.555 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.6 | -42.5 | 177.5 | -70.8 | 173.5 | 0 | 0 | 0 | 111.6 | R56 F57 K63 K64 | R56-L60 PolarHBondContact O-N 3.49Å; F57-L60 PolarHBondContact O-N 3.38Å; L60-K63 PolarHBondContact O-N 3.49Å; L60-K64 WeakPolarHBondContact O-CG 3.27Å; L60-K64 PolarHBondContact O-N 3.38Å |
| 61 | S | 81.1 | Confident | 76.6 | Confident | 61 Ų | 61 | 120.4 Ų | 120.4 | 43% | 0.427 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -41 | 176 | 72.9 | 0 | 0 | 0 | 0 | 111.6 | F57 S58 K64 L65 | F57-S61 PolarHBondContact O-N 2.89Å; F57-S61 PolarHBondContact O-OG 3.3Å; S58-S61 PolarHBondContact O-OG 2.98Å; S61-K64 PolarHBondContact O-N 2.89Å; S61-L65 WeakPolarHBondContact O-CB 3.36Å; S61-L65 PolarHBondContact O-N 2.91Å |
| 62 | L | 80.4 | Confident | 78 | Confident | 72 Ų | 72 | 119.5 Ų | 119.5 | 38% | 0.377 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.2 | -176.2 | 63.8 | 0 | 0 | 0 | 112.1 | S58 K64 L65 L66 M163 | S58-L62 WeakPolarHBondContact O-CB 3.49Å; S58-L62 PolarHBondContact O-N 2.86Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.41Å; L62-L65 PolarHBondContact O-N 3.5Å; L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 HydrophobicContact CG-CG 4.42Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.95Å; L62-M163 HydrophobicContact CD2-CE 4.35Å |
| 63 | K | 86.4 | Confident | 79.4 | Confident | 160 Ų | 160 | 121 Ų | 121 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -42.7 | 175.6 | -170.6 | 177.7 | -178.8 | -179.4 | 0 | 111.1 | R59 L60 K67 | R59-K63 WeakPolarHBondContact O-CB 3.31Å; R59-K63 PolarHBondContact O-N 3.45Å; L60-K63 PolarHBondContact O-N 3.49Å; K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.38Å |
| 64 | K | 88.7 | Confident | 81 | Confident | 151 Ų | 151 | 122.2 Ų | 122.2 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.1 | -43.8 | 173.8 | -73.3 | 179.5 | -178.7 | -178.2 | 0 | 111.4 | L60 S61 L62 K67 R68 | L60-K64 WeakPolarHBondContact O-CG 3.27Å; L60-K64 PolarHBondContact O-N 3.38Å; S61-K64 PolarHBondContact O-N 2.89Å; L62-K64 VanDerWaalsContact C-N 3.33Å; L62-K64 PolarHBondContact O-N 3.41Å; K64-K67 PolarHBondContact O-N 3.4Å; K64-R68 WeakPolarHBondContact O-CG 3.45Å; K64-R68 PolarHBondContact O-N 3.03Å |
| 65 | L | 83 | Confident | 82.5 | Confident | 87 Ų | 87 | 125.7 Ų | 125.7 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -46.3 | 177.6 | -177.2 | 64.6 | 0 | 0 | 0 | 112.1 | S61 L62 K67 R68 K69 | S61-L65 WeakPolarHBondContact O-CB 3.36Å; S61-L65 PolarHBondContact O-N 2.91Å; L62-L65 PolarHBondContact O-N 3.5Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.35Å; L65-R68 WeakPolarHBondContact O-CB 3.42Å; L65-R68 PolarHBondContact O-N 3Å; L65-K69 WeakPolarHBondContact O-CG 3.35Å; L65-K69 PolarHBondContact O-N 3.45Å |
| 66 | L | 89.2 | Confident | 83.9 | Confident | 70 Ų | 70 | 127 Ų | 127 | 37% | 0.366 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.4 | -40.2 | 176.6 | -71.7 | 173.5 | 0 | 0 | 0 | 111.5 | L62 R68 K69 R70 | L62-L66 HydrophobicContact CD1-CG 4.36Å; L62-L66 HydrophobicContact CG-CD1 4.15Å; L62-L66 HydrophobicContact CG-CG 4.42Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.95Å; L66-R68 PolarHBondContact O-N 2.99Å; L66-K69 PolarHBondContact O-N 3.06Å; L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.3Å |
| 67 | K | 93.3 | Very high | 85.5 | Confident | 131 Ų | 131 | 122 Ų | 122 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61 | -43.3 | 173.8 | -167.5 | 175.5 | -177.2 | 178.5 | 0 | 111.3 | K63 K64 L65 R71 | K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 PolarHBondContact O-N 3.38Å; K64-K67 PolarHBondContact O-N 3.4Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.35Å; K67-R71 WeakPolarHBondContact O-CG 3.5Å; K67-R71 PolarHBondContact O-N 2.93Å; K67-R71 VanDerWaalsContact O-N 3.08Å |
| 68 | R | 89.3 | Confident | 87.2 | Confident | 185 Ų | 185 | 120.6 Ų | 120.6 | 70% | 0.698 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 174.3 | -73.3 | 179.3 | 179.3 | 179.1 | -0.5 | 112 | K64 L65 L66 R71 K72 | K64-R68 WeakPolarHBondContact O-CG 3.45Å; K64-R68 PolarHBondContact O-N 3.03Å; L65-R68 WeakPolarHBondContact O-CB 3.42Å; L65-R68 PolarHBondContact O-N 3Å; L66-R68 PolarHBondContact O-N 2.99Å; R68-R71 PolarHBondContact O-N 2.81Å; R68-K72 PolarHBondContact O-N 3.03Å |
| 69 | K | 88.8 | Confident | 88.2 | Confident | 136 Ų | 136 | 122.2 Ų | 122.2 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 178.5 | -68.7 | -71.6 | -175.5 | 178.2 | 0 | 112.1 | L65 L66 R71 K72 L73 | L65-K69 WeakPolarHBondContact O-CG 3.35Å; L65-K69 PolarHBondContact O-N 3.45Å; L66-K69 PolarHBondContact O-N 3.06Å; K69-R71 PolarHBondContact O-N 3.17Å; K69-K72 PolarHBondContact O-N 3.09Å; K69-L73 PolarHBondContact O-N 3.02Å |
| 70 | R | 92.9 | Very high | 89.1 | Confident | 175 Ų | 175 | 118.3 Ų | 118.3 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | 175 | -174.7 | -179.7 | -81.6 | -171.9 | -4.5 | 112 | L66 L73 K74 | L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.3Å; R70-L73 PolarHBondContact O-N 2.91Å; R70-K74 PolarHBondContact O-N 3.35Å; R70-K74 VanDerWaalsContact O-N 3.07Å |
| 71 | R | 92.3 | Very high | 90.1 | Very high | 150 Ų | 150 | 117.8 Ų | 117.8 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 173.9 | -73.7 | 176.5 | 177.3 | -175.2 | -3.6 | 111.9 | K67 R68 K69 L73 K74 R75 | K67-R71 WeakPolarHBondContact O-CG 3.5Å; K67-R71 PolarHBondContact O-N 2.93Å; K67-R71 VanDerWaalsContact O-N 3.08Å; R68-R71 PolarHBondContact O-N 2.81Å; K69-R71 PolarHBondContact O-N 3.17Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.04Å; R71-K74 PolarHBondContact O-N 3.3Å; R71-R75 PolarHBondContact O-N 2.95Å |
| 72 | K | 91.4 | Very high | 90.6 | Very high | 132 Ų | 132 | 117.1 Ų | 117.1 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 176.4 | -173.3 | 167.8 | -177.3 | 168.9 | 0 | 111.9 | R68 K69 K74 R75 L76 | R68-K72 PolarHBondContact O-N 3.03Å; K69-K72 PolarHBondContact O-N 3.09Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.4Å; K72-R75 PolarHBondContact O-N 2.95Å; K72-L76 HydrophobicContact CG-CD1 4.3Å; K72-L76 WeakPolarHBondContact O-CG 3.37Å; K72-L76 PolarHBondContact O-N 3.11Å |
| 73 | L | 91.8 | Very high | 91.1 | Very high | 95 Ų | 95 | 119.1 Ų | 119.1 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.3 | -172.2 | 67.8 | 0 | 0 | 0 | 112.2 | K69 R70 R71 S77 L135 | K69-L73 PolarHBondContact O-N 3.02Å; R70-L73 PolarHBondContact O-N 2.91Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.04Å; L73-S77 WeakPolarHBondContact O-CB 3.48Å; L73-S77 PolarHBondContact O-N 3.39Å; L73-L135 HydrophobicContact CD1-CD2 4.03Å |
| 74 | K | 94 | Very high | 91.4 | Very high | 155 Ų | 155 | 118 Ų | 118 | 67% | 0.674 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 174.8 | -74.3 | -170.9 | 174 | -163 | 0 | 112.6 | R70 R71 K72 S77 H78 | R70-K74 PolarHBondContact O-N 3.35Å; R70-K74 VanDerWaalsContact O-N 3.07Å; R71-K74 PolarHBondContact O-N 3.3Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-K74 PolarHBondContact O-N 3.4Å; K74-S77 PolarHBondContact O-N 3.25Å; K74-H78 PolarHBondContact O-N 3.43Å |
| 75 | R | 90.9 | Very high | 91.5 | Very high | 176 Ų | 176 | 116.7 Ų | 116.7 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -51.1 | 175.9 | -71.2 | -177.5 | -175.5 | 175.5 | -2.8 | 111.7 | R71 K72 S77 H78 E79 | R71-R75 PolarHBondContact O-N 2.95Å; K72-R75 PolarHBondContact O-N 2.95Å; R75-S77 VanDerWaalsContact C-N 3.27Å; R75-S77 PolarHBondContact O-N 3.01Å; R75-H78 WeakPolarHBondContact O-CA 3.43Å; R75-H78 WeakPolarHBondContact O-CB 3.44Å; R75-H78 PolarHBondContact O-N 3Å; R75-E79 WeakPolarHBondContact O-CG 3.43Å; R75-E79 PolarHBondContact O-N 2.96Å |
| 76 | L | 92.1 | Very high | 91.7 | Very high | 75 Ų | 75 | 118 Ų | 118 | 39% | 0.393 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -38.6 | 177.1 | -69.4 | 172.8 | 0 | 0 | 0 | 112.2 | K72 H78 E79 I80 | K72-L76 HydrophobicContact CG-CD1 4.3Å; K72-L76 WeakPolarHBondContact O-CG 3.37Å; K72-L76 PolarHBondContact O-N 3.11Å; L76-H78 VanDerWaalsContact C-N 3.3Å; L76-H78 PolarHBondContact O-N 2.98Å; L76-E79 PolarHBondContact O-N 2.84Å; L76-I80 WeakPolarHBondContact O-CB 3.31Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 3.28Å |
| 77 | S | 93.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 118.9 Ų | 118.9 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 175.1 | -171 | 0 | 0 | 0 | 0 | 112.5 | L73 K74 R75 N81 | L73-S77 WeakPolarHBondContact O-CB 3.48Å; L73-S77 PolarHBondContact O-N 3.39Å; K74-S77 PolarHBondContact O-N 3.25Å; R75-S77 VanDerWaalsContact C-N 3.27Å; R75-S77 PolarHBondContact O-N 3.01Å; S77-N81 VanDerWaalsContact O-CG 3.27Å; S77-N81 PolarHBondContact O-N 3.02Å; S77-N81 PolarHBondContact O-ND2 3.44Å |
| 78 | H | 93.6 | Very high | 91.4 | Very high | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.606 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.5 | -46.9 | 175.9 | -173.2 | 61.1 | 0 | 0 | 0 | 110.9 | K74 R75 L76 I80 N81 T82 | K74-H78 PolarHBondContact O-N 3.43Å; R75-H78 WeakPolarHBondContact O-CA 3.43Å; R75-H78 WeakPolarHBondContact O-CB 3.44Å; R75-H78 PolarHBondContact O-N 3Å; L76-H78 VanDerWaalsContact C-N 3.3Å; L76-H78 PolarHBondContact O-N 2.98Å; H78-I80 VanDerWaalsContact C-N 3.32Å; H78-I80 PolarHBondContact O-N 3.4Å; H78-N81 WeakPolarHBondContact O-CB 3.28Å; H78-N81 PolarHBondContact O-N 3.03Å; H78-T82 PolarHBondContact O-N 3.34Å; H78-T82 PolarHBondContact O-OG1 2.76Å; H78-T82 VanDerWaalsContact O-OG1 3.04Å |
| 79 | E | 92.3 | Very high | 91.1 | Very high | 103 Ų | 103 | 110.6 Ų | 110.6 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.6 | -44.5 | 175.5 | -70.7 | 165.1 | -146.2 | 0 | 0 | 112 | R75 L76 N81 T82 L83 | R75-E79 WeakPolarHBondContact O-CG 3.43Å; R75-E79 PolarHBondContact O-N 2.96Å; L76-E79 PolarHBondContact O-N 2.84Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-N81 PolarHBondContact O-N 3.18Å; E79-T82 PolarHBondContact O-N 3.41Å; E79-L83 WeakPolarHBondContact O-CB 3.35Å; E79-L83 WeakPolarHBondContact O-CG 3.41Å; E79-L83 PolarHBondContact O-N 3.28Å |
| 80 | I | 93.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 109.7 Ų | 109.7 | 36% | 0.359 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.6 | -70.9 | 167 | 0 | 0 | 0 | 111.2 | L76 H78 L83 K84 L128 | L76-I80 WeakPolarHBondContact O-CB 3.31Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 3.28Å; H78-I80 VanDerWaalsContact C-N 3.32Å; H78-I80 PolarHBondContact O-N 3.4Å; I80-L83 PolarHBondContact O-N 3.2Å; I80-K84 WeakPolarHBondContact O-CB 3.19Å; I80-K84 PolarHBondContact O-N 2.95Å; I80-L128 HydrophobicContact CG2-CD1 4.47Å |
| 81 | N | 93.6 | Very high | 90 | Very high | 95 Ų | 95 | 103.6 Ų | 103.6 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 178.5 | -74 | -13.4 | 0 | 0 | 0 | 111.8 | S77 H78 E79 K84 Q85 | S77-N81 VanDerWaalsContact O-CG 3.27Å; S77-N81 PolarHBondContact O-N 3.02Å; S77-N81 PolarHBondContact O-ND2 3.44Å; H78-N81 WeakPolarHBondContact O-CB 3.28Å; H78-N81 PolarHBondContact O-N 3.03Å; E79-N81 VanDerWaalsContact C-N 3.34Å; E79-N81 PolarHBondContact O-N 3.18Å; N81-K84 WeakPolarHBondContact O-CB 3.38Å; N81-K84 PolarHBondContact O-N 2.97Å; N81-Q85 PolarHBondContact O-N 2.73Å |
| 82 | T | 91.9 | Very high | 89.4 | Confident | 48 Ų | 48 | 102.4 Ų | 102.4 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | H78 E79 K84 Q85 H86 | H78-T82 PolarHBondContact O-N 3.34Å; H78-T82 PolarHBondContact O-OG1 2.76Å; H78-T82 VanDerWaalsContact O-OG1 3.04Å; E79-T82 PolarHBondContact O-N 3.41Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 3.03Å; T82-Q85 WeakPolarHBondContact O-CB 3.31Å; T82-Q85 PolarHBondContact O-N 3.4Å; T82-Q85 VanDerWaalsContact O-N 3.11Å; T82-H86 PolarHBondContact O-CD2 3.15Å; T82-H86 PolarHBondContact O-N 3.3Å |
| 83 | L | 91.3 | Very high | 88.6 | Confident | 113 Ų | 113 | 104 Ų | 104 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.7 | -41.4 | 175.4 | -73.2 | 172.1 | 0 | 0 | 0 | 112 | E79 I80 Q85 H86 L87 | E79-L83 WeakPolarHBondContact O-CB 3.35Å; E79-L83 WeakPolarHBondContact O-CG 3.41Å; E79-L83 PolarHBondContact O-N 3.28Å; I80-L83 PolarHBondContact O-N 3.2Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.43Å; L83-H86 PolarHBondContact O-N 3.43Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 3.16Å |
| 84 | K | 92.1 | Very high | 87.6 | Confident | 138 Ų | 138 | 102.9 Ų | 102.9 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -39.2 | 175.4 | -172.1 | 177.4 | 179.9 | -178.8 | 0 | 111.8 | I80 N81 T82 N88 | I80-K84 WeakPolarHBondContact O-CB 3.19Å; I80-K84 PolarHBondContact O-N 2.95Å; N81-K84 WeakPolarHBondContact O-CB 3.38Å; N81-K84 PolarHBondContact O-N 2.97Å; T82-K84 VanDerWaalsContact C-N 3.31Å; T82-K84 PolarHBondContact O-N 3.03Å; K84-N88 WeakPolarHBondContact O-CB 3.35Å; K84-N88 PolarHBondContact O-N 2.9Å; K84-N88 VanDerWaalsContact O-N 3.1Å |
| 85 | Q | 90.1 | Very high | 86.2 | Confident | 123 Ų | 123 | 101.7 Ų | 101.7 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.1 | -47.9 | 176.2 | -173.5 | 171.6 | -2.6 | 0 | 0 | 111.5 | N81 T82 L83 L87 N88 D89 | N81-Q85 PolarHBondContact O-N 2.73Å; T82-Q85 WeakPolarHBondContact O-CB 3.31Å; T82-Q85 PolarHBondContact O-N 3.4Å; T82-Q85 VanDerWaalsContact O-N 3.11Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 3.43Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.45Å; Q85-N88 WeakPolarHBondContact O-CB 3.3Å; Q85-N88 PolarHBondContact O-N 3.39Å; Q85-D89 PolarHBondContact O-N 2.95Å |
| 86 | H | 88.6 | Confident | 85 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 176.1 | -76.4 | -72.9 | 0 | 0 | 0 | 112.7 | T82 L83 N88 D89 H90 | T82-H86 PolarHBondContact O-CD2 3.15Å; T82-H86 PolarHBondContact O-N 3.3Å; L83-H86 PolarHBondContact O-N 3.43Å; H86-N88 VanDerWaalsContact C-N 3.32Å; H86-N88 PolarHBondContact O-N 2.86Å; H86-D89 PolarHBondContact O-N 3.06Å; H86-H90 VanDerWaalsContact O-CB 3.31Å; H86-H90 WeakPolarHBondContact O-CB 3.36Å; H86-H90 PolarHBondContact O-N 2.92Å |
| 87 | L | 87.9 | Confident | 83.5 | Confident | 89 Ų | 89 | 100.4 Ų | 100.4 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 175.6 | -73.5 | 172.7 | 0 | 0 | 0 | 112.2 | L83 Q85 T91 | L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 3.16Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.45Å; L87-T91 WeakPolarHBondContact O-CB 3.38Å; L87-T91 PolarHBondContact O-N 3.45Å; L87-T91 PolarHBondContact O-OG1 3.32Å |
| 88 | N | 87.7 | Confident | 81.8 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.9 | -41.9 | 177.6 | -157.8 | 24 | 0 | 0 | 0 | 111.7 | K84 Q85 H86 T91 K92 | K84-N88 WeakPolarHBondContact O-CB 3.35Å; K84-N88 PolarHBondContact O-N 2.9Å; K84-N88 VanDerWaalsContact O-N 3.1Å; Q85-N88 WeakPolarHBondContact O-CB 3.3Å; Q85-N88 PolarHBondContact O-N 3.39Å; H86-N88 VanDerWaalsContact C-N 3.32Å; H86-N88 PolarHBondContact O-N 2.86Å; N88-T91 WeakPolarHBondContact O-CB 2.97Å; N88-T91 PolarHBondContact O-N 3.45Å; N88-K92 WeakPolarHBondContact O-CG 3.44Å; N88-K92 PolarHBondContact O-N 3.32Å |
| 89 | D | 83.6 | Confident | 80 | Confident | 56 Ų | 56 | 101 Ų | 101 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 177.7 | -65.9 | -19.5 | 0 | 0 | 0 | 111.9 | Q85 H86 K92 R93 | Q85-D89 PolarHBondContact O-N 2.95Å; H86-D89 PolarHBondContact O-N 3.06Å; D89-K92 PolarHBondContact O-N 3.35Å; D89-R93 PolarHBondContact O-N 2.91Å |
| 90 | H | 80 | Confident | 78.2 | Confident | 117 Ų | 117 | 100.8 Ų | 100.8 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 171.7 | -167.1 | -81.6 | 0 | 0 | 0 | 111.2 | H86 K92 R93 V94 | H86-H90 VanDerWaalsContact O-CB 3.31Å; H86-H90 WeakPolarHBondContact O-CB 3.36Å; H86-H90 PolarHBondContact O-N 2.92Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 3.35Å; H90-R93 PolarHBondContact O-N 3.49Å; H90-V94 WeakPolarHBondContact O-CG2 3.42Å; H90-V94 PolarHBondContact O-N 2.66Å |
| 91 | T | 78.9 | Confident | 76.5 | Confident | 46 Ų | 46 | 104.1 Ų | 104.1 | 28% | 0.282 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60 | -42 | 175.6 | -56 | 0 | 0 | 0 | 0 | 111 | L87 N88 L95 K121 | L87-T91 WeakPolarHBondContact O-CB 3.38Å; L87-T91 PolarHBondContact O-N 3.45Å; L87-T91 PolarHBondContact O-OG1 3.32Å; N88-T91 WeakPolarHBondContact O-CB 2.97Å; N88-T91 PolarHBondContact O-N 3.45Å; T91-L95 HydrophobicContact CG2-CD1 4.24Å; T91-L95 WeakPolarHBondContact O-CG 3.22Å; T91-L95 PolarHBondContact O-N 2.91Å; T91-K121 PolarHBondContact OG1-NZ 3.46Å |
| 92 | K | 78.7 | Confident | 74.4 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 54% | 0.543 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -45.8 | 176.8 | -73.4 | -180 | 179.7 | -175.9 | 0 | 112.6 | N88 D89 H90 V94 L95 S96 | N88-K92 WeakPolarHBondContact O-CG 3.44Å; N88-K92 PolarHBondContact O-N 3.32Å; D89-K92 PolarHBondContact O-N 3.35Å; H90-K92 VanDerWaalsContact C-N 3.31Å; H90-K92 PolarHBondContact O-N 3.35Å; K92-V94 PolarHBondContact O-N 3.36Å; K92-L95 PolarHBondContact O-N 3.09Å; K92-S96 PolarHBondContact O-N 3.47Å; K92-S96 PolarHBondContact O-OG 2.87Å |
| 93 | R | 73.7 | Confident | 72.5 | Confident | 167 Ų | 167 | 112.3 Ų | 112.3 | 63% | 0.63 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.7 | -39.5 | 179.3 | -81.9 | -172 | -87.3 | 174.8 | -9.5 | 113.1 | D89 H90 L95 S96 N97 | D89-R93 PolarHBondContact O-N 2.91Å; H90-R93 PolarHBondContact O-N 3.49Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.03Å; R93-S96 PolarHBondContact O-N 3.26Å; R93-N97 PolarHBondContact O-N 3.35Å |
| 94 | V | 71.2 | Confident | 70.8 | Confident | 70 Ų | 70 | 109.9 Ų | 109.9 | 42% | 0.424 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -33 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | H90 K92 | H90-V94 WeakPolarHBondContact O-CG2 3.42Å; H90-V94 PolarHBondContact O-N 2.66Å; K92-V94 PolarHBondContact O-N 3.36Å |
| 95 | L | 65.7 | Low | 69 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 68% | 0.681 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.4 | -25 | 178.2 | -70.4 | 168.2 | 0 | 0 | 0 | 113.5 | T91 K92 R93 | T91-L95 HydrophobicContact CG2-CD1 4.24Å; T91-L95 WeakPolarHBondContact O-CG 3.22Å; T91-L95 PolarHBondContact O-N 2.91Å; K92-L95 PolarHBondContact O-N 3.09Å; R93-L95 VanDerWaalsContact C-N 3.28Å; R93-L95 PolarHBondContact O-N 3.03Å |
| 96 | S | 64.6 | Low | 67.4 | Low | 89 Ų | 89 | 110.8 Ų | 110.8 | 62% | 0.622 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -85.7 | -17.6 | -178.6 | -64.2 | 0 | 0 | 0 | 0 | 114.9 | K92 R93 | K92-S96 PolarHBondContact O-N 3.47Å; K92-S96 PolarHBondContact O-OG 2.87Å; R93-S96 PolarHBondContact O-N 3.26Å |
| 97 | N | 60.4 | Low | 65.8 | Low | 135 Ų | 135 | 111.3 Ų | 111.3 | 72% | 0.722 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -96.9 | 1.6 | -175.3 | -82.4 | 7.3 | 0 | 0 | 0 | 115 | R93 S99 | R93-N97 PolarHBondContact O-N 3.35Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å |
| 98 | D | 58.3 | Low | 64.3 | Low | 92 Ų | 92 | 113.4 Ų | 113.4 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | 17.7 | -175.1 | -97.9 | -7.6 | 0 | 0 | 0 | 113.9 | K114 | D98-K114 IonicContact OD2-NZ 3.62Å; D98-K114 PolarHBondContact OD2-NZ 2.79Å |
| 99 | S | 56.1 | Low | 63 | Low | 114 Ų | 114 | 112.7 Ų | 112.7 | 80% | 0.797 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 10.4 | -179.1 | 61.1 | 0 | 0 | 0 | 0 | 116.1 | N97 | N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å |
| 100 | S | 54.2 | Low | 62 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 70% | 0.699 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -121 | 108.1 | -176.9 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 101 | V | 57.8 | Low | 61.1 | Low | 139 Ų | 139 | 116.6 Ų | 116.6 | 84% | 0.842 | 63% | 0.626 | S | S | * | * | trans | 52.8 | 117 | 149.5 | -164.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 102 | E | 49.3 | Very low | 60.4 | Low | 173 Ų | 173 | 124.2 Ų | 124.2 | 81% | 0.808 | 65% | 0.65 | S | S | * | * | trans | -70.4 | 133.3 | -171.2 | -56.7 | -170.7 | 133.9 | 0 | 0 | 114.2 | ||||
| 103 | N | 52.4 | Low | 59.7 | Low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | trans | -128.2 | 105.9 | 152.4 | -101.3 | -17.9 | 0 | 0 | 0 | 107.5 | F105 D106 | N103-F105 PolarHBondContact O-N 3.25Å; N103-D106 PolarHBondContact O-N 2.54Å; N103-D106 VanDerWaalsContact O-N 3.1Å | ||
| 104 | G | 56.4 | Low | 59.7 | Low | 63 Ų | 63 | 123.8 Ų | 123.8 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -15.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 105 | F | 54.1 | Low | 59.6 | Low | 199 Ų | 199 | 122.6 Ų | 122.6 | 87% | 0.873 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -23.2 | 176.8 | -113 | -94.5 | 0 | 0 | 0 | 113.9 | N103 M107 | N103-F105 PolarHBondContact O-N 3.25Å; F105-M107 VanDerWaalsContact C-N 3.34Å |
| 106 | D | 56.5 | Low | 60 | Low | 81 Ų | 81 | 120.7 Ų | 120.7 | 43% | 0.433 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -83.8 | -13.3 | -178.5 | -152.8 | 20.5 | 0 | 0 | 0 | 112.5 | N103 L108 K110 | N103-D106 PolarHBondContact O-N 2.54Å; N103-D106 VanDerWaalsContact O-N 3.1Å; D106-L108 PolarHBondContact O-N 2.87Å; D106-K110 WeakPolarHBondContact O-CB 3.3Å; D106-K110 VanDerWaalsContact O-CG 3.31Å; D106-K110 WeakPolarHBondContact O-CG 3.04Å; D106-K110 PolarHBondContact O-N 2.96Å; D106-K110 WeakPolarHBondContact OD2-CE 3.39Å; D106-K110 IonicContact OD2-NZ 3.53Å |
| 107 | M | 54 | Low | 60.6 | Low | 125 Ų | 125 | 121 Ų | 121 | 62% | 0.616 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.1 | -37.4 | 179 | -87.7 | -80.6 | -121.3 | 0 | 0 | 113.3 | F105 K111 | F105-M107 VanDerWaalsContact C-N 3.34Å; M107-K111 WeakPolarHBondContact O-CB 3.06Å; M107-K111 PolarHBondContact O-N 2.03Å |
| 108 | L | 56.3 | Low | 61.6 | Low | 133 Ų | 133 | 118.9 Ų | 118.9 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.4 | -39.8 | -179.5 | -70.2 | 174.4 | 0 | 0 | 0 | 111.9 | D106 K111 R112 | D106-L108 PolarHBondContact O-N 2.87Å; L108-K111 PolarHBondContact O-N 2.99Å; L108-R112 PolarHBondContact O-N 3.49Å; L108-R112 VanDerWaalsContact O-N 3.08Å |
| 109 | C | 60.4 | Low | 62.8 | Low | 71 Ų | 71 | 120 Ų | 120 | 48% | 0.48 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.9 | -42.3 | 173.8 | -77.9 | 0 | 0 | 0 | 0 | 111.7 | R112 R113 | C109-R112 PolarHBondContact O-N 3.46Å; C109-R113 WeakPolarHBondContact O-CG 3.43Å; C109-R113 PolarHBondContact O-N 2.64Å |
| 110 | K | 62.4 | Low | 63.9 | Low | 94 Ų | 94 | 121.8 Ų | 121.8 | 41% | 0.409 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | 175 | -75.2 | 175.8 | -178.9 | 174.8 | 0 | 112.2 | D106 R112 R113 K114 | D106-K110 WeakPolarHBondContact O-CB 3.3Å; D106-K110 VanDerWaalsContact O-CG 3.31Å; D106-K110 WeakPolarHBondContact O-CG 3.04Å; D106-K110 PolarHBondContact O-N 2.96Å; D106-K110 WeakPolarHBondContact OD2-CE 3.39Å; D106-K110 IonicContact OD2-NZ 3.53Å; K110-R112 PolarHBondContact O-N 3.04Å; K110-R113 PolarHBondContact O-N 3.17Å; K110-K114 WeakPolarHBondContact O-CB 2.98Å; K110-K114 VanDerWaalsContact O-CG 3.3Å; K110-K114 WeakPolarHBondContact O-CG 3.01Å; K110-K114 PolarHBondContact O-N 3.31Å |
| 111 | K | 61.9 | Low | 65.4 | Low | 160 Ų | 160 | 121 Ų | 121 | 70% | 0.696 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 178.7 | -159.8 | 170.9 | -173.3 | 176.1 | 0 | 112.1 | M107 L108 A115 | M107-K111 WeakPolarHBondContact O-CB 3.06Å; M107-K111 PolarHBondContact O-N 2.03Å; L108-K111 PolarHBondContact O-N 2.99Å; K111-A115 PolarHBondContact O-N 3.07Å; K111-A115 VanDerWaalsContact O-N 3.08Å |
| 112 | R | 63.9 | Low | 66.8 | Low | 206 Ų | 206 | 120.5 Ų | 120.5 | 78% | 0.777 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.8 | -39.8 | 176.7 | -147.2 | 175.4 | -175.8 | -175.2 | 1.5 | 112.2 | L108 C109 K110 A115 V116 | L108-R112 PolarHBondContact O-N 3.49Å; L108-R112 VanDerWaalsContact O-N 3.08Å; C109-R112 PolarHBondContact O-N 3.46Å; K110-R112 PolarHBondContact O-N 3.04Å; R112-A115 PolarHBondContact O-N 3.03Å; R112-V116 WeakPolarHBondContact O-CG2 3.31Å; R112-V116 PolarHBondContact O-N 2.04Å; R112-V116 VanDerWaalsContact O-N 3.12Å |
| 113 | R | 64.8 | Low | 68.7 | Low | 183 Ų | 183 | 118.6 Ų | 118.6 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.4 | -46.6 | 172.9 | -72.1 | -176.6 | -167.4 | -178.6 | 6.4 | 112 | C109 K110 A115 V116 D117 | C109-R113 WeakPolarHBondContact O-CG 3.43Å; C109-R113 PolarHBondContact O-N 2.64Å; K110-R113 PolarHBondContact O-N 3.17Å; R113-A115 VanDerWaalsContact C-N 3.27Å; R113-A115 PolarHBondContact O-N 3Å; R113-V116 PolarHBondContact O-N 3.14Å; R113-V116 VanDerWaalsContact O-N 3.1Å; R113-D117 PolarHBondContact O-N 2.73Å |
| 114 | K | 72.4 | Confident | 70.1 | Confident | 101 Ų | 101 | 114.6 Ų | 114.6 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.7 | -36.9 | 175.4 | -73.1 | 178.4 | -179.8 | -176.4 | 0 | 112.2 | D98 K110 T118 | D98-K114 IonicContact OD2-NZ 3.62Å; D98-K114 PolarHBondContact OD2-NZ 2.79Å; K110-K114 WeakPolarHBondContact O-CB 2.98Å; K110-K114 VanDerWaalsContact O-CG 3.3Å; K110-K114 WeakPolarHBondContact O-CG 3.01Å; K110-K114 PolarHBondContact O-N 3.31Å; K114-T118 VanDerWaalsContact O-CG2 3.27Å; K114-T118 WeakPolarHBondContact O-CG2 3.37Å; K114-T118 PolarHBondContact O-N 2.98Å; K114-T118 PolarHBondContact O-OG1 2.85Å |
| 115 | A | 70.7 | Confident | 71.7 | Confident | 45 Ų | 45 | 116.7 Ų | 116.7 | 37% | 0.372 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.8 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K111 R112 R113 T118 I119 | K111-A115 PolarHBondContact O-N 3.07Å; K111-A115 VanDerWaalsContact O-N 3.08Å; R112-A115 PolarHBondContact O-N 3.03Å; R113-A115 VanDerWaalsContact C-N 3.27Å; R113-A115 PolarHBondContact O-N 3Å; A115-T118 WeakPolarHBondContact CA-OG1 2.99Å; A115-T118 PolarHBondContact O-OG1 2.86Å; A115-I119 WeakPolarHBondContact O-CD1 3.36Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.39Å; A115-I119 PolarHBondContact O-N 3.21Å; A115-I119 VanDerWaalsContact O-N 3.12Å |
| 116 | V | 73.3 | Confident | 73.3 | Confident | 90 Ų | 90 | 112.3 Ų | 112.3 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | R112 R113 T118 I119 W120 | R112-V116 WeakPolarHBondContact O-CG2 3.31Å; R112-V116 PolarHBondContact O-N 2.04Å; R112-V116 VanDerWaalsContact O-N 3.12Å; R113-V116 PolarHBondContact O-N 3.14Å; R113-V116 VanDerWaalsContact O-N 3.1Å; V116-T118 PolarHBondContact O-N 3.28Å; V116-I119 PolarHBondContact O-N 3.32Å; V116-W120 WeakPolarHBondContact O-CB 3.26Å; V116-W120 PolarHBondContact O-N 2.88Å |
| 117 | D | 76.9 | Confident | 74.8 | Confident | 96 Ų | 96 | 113.2 Ų | 113.2 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 179 | -70.8 | -20.9 | 0 | 0 | 0 | 112 | R113 W120 K121 | R113-D117 PolarHBondContact O-N 2.73Å; D117-W120 PolarHBondContact O-N 3.19Å; D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 PolarHBondContact O-N 2.83Å |
| 118 | T | 82.5 | Confident | 76.5 | Confident | 89 Ų | 89 | 110.8 Ų | 110.8 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 175.8 | 50.6 | 0 | 0 | 0 | 0 | 112 | K114 A115 V116 K122 | K114-T118 VanDerWaalsContact O-CG2 3.27Å; K114-T118 WeakPolarHBondContact O-CG2 3.37Å; K114-T118 PolarHBondContact O-N 2.98Å; K114-T118 PolarHBondContact O-OG1 2.85Å; A115-T118 WeakPolarHBondContact CA-OG1 2.99Å; A115-T118 PolarHBondContact O-OG1 2.86Å; V116-T118 PolarHBondContact O-N 3.28Å; T118-K122 VanDerWaalsContact O-CB 3.32Å; T118-K122 WeakPolarHBondContact O-CB 3.22Å; T118-K122 PolarHBondContact O-N 2.99Å |
| 119 | I | 82 | Confident | 78.2 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -45.8 | 174.3 | -67.4 | 166 | 0 | 0 | 0 | 110.8 | A115 V116 K122 K123 | A115-I119 WeakPolarHBondContact O-CD1 3.36Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.39Å; A115-I119 PolarHBondContact O-N 3.21Å; A115-I119 VanDerWaalsContact O-N 3.12Å; V116-I119 PolarHBondContact O-N 3.32Å; I119-K122 PolarHBondContact O-N 2.97Å; I119-K123 WeakPolarHBondContact O-CB 3.45Å; I119-K123 PolarHBondContact O-N 2.93Å |
| 120 | W | 80.2 | Confident | 79.5 | Confident | 151 Ų | 151 | 109.3 Ų | 109.3 | 57% | 0.572 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | 179.4 | -173.6 | 80.2 | 0 | 0 | 0 | 111.9 | V116 D117 K123 I124 | V116-W120 WeakPolarHBondContact O-CB 3.26Å; V116-W120 PolarHBondContact O-N 2.88Å; D117-W120 PolarHBondContact O-N 3.19Å; W120-K123 PolarHBondContact O-N 3.34Å; W120-I124 HydrophobicContact CD2-CD1 3.63Å; W120-I124 HydrophobicContact CD2-CG1 4.4Å; W120-I124 HydrophobicContact CE3-CD1 3.69Å; W120-I124 HydrophobicContact CH2-CD1 3.29Å; W120-I124 HydrophobicContact CZ2-CD1 3.23Å; W120-I124 HydrophobicContact CZ2-CG1 4.48Å; W120-I124 HydrophobicContact CZ3-CD1 3.52Å; W120-I124 WeakPolarHBondContact O-CG1 3.36Å; W120-I124 PolarHBondContact O-N 3.46Å |
| 121 | K | 85.2 | Confident | 80.7 | Confident | 82 Ų | 82 | 108.8 Ų | 108.8 | 36% | 0.357 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.9 | -174.4 | 173.7 | -179.7 | 175.5 | 0 | 111.4 | T91 D117 K123 I124 E125 | T91-K121 PolarHBondContact OG1-NZ 3.46Å; D117-K121 WeakPolarHBondContact O-CB 3.42Å; D117-K121 PolarHBondContact O-N 2.83Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 2.88Å; K121-I124 PolarHBondContact O-N 3.33Å; K121-E125 WeakPolarHBondContact CE-OE1 3.4Å; K121-E125 WeakPolarHBondContact O-CG 3.38Å; K121-E125 PolarHBondContact O-N 3.47Å |
| 122 | K | 87.9 | Confident | 82 | Confident | 130 Ų | 130 | 107.2 Ų | 107.2 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 176.5 | -171.5 | 178.7 | 178.9 | -179.4 | 0 | 111.7 | T118 I119 I124 E125 E126 | T118-K122 VanDerWaalsContact O-CB 3.32Å; T118-K122 WeakPolarHBondContact O-CB 3.22Å; T118-K122 PolarHBondContact O-N 2.99Å; I119-K122 PolarHBondContact O-N 2.97Å; K122-I124 PolarHBondContact O-N 3.39Å; K122-E125 PolarHBondContact O-N 2.89Å; K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 WeakPolarHBondContact O-CG 3.34Å; K122-E126 PolarHBondContact O-N 3.4Å |
| 123 | K | 87.7 | Confident | 83.3 | Confident | 133 Ų | 133 | 99.5 Ų | 99.5 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 177.1 | -172 | 173.1 | -175 | 171.7 | 0 | 112.4 | I119 W120 K121 E127 | I119-K123 WeakPolarHBondContact O-CB 3.45Å; I119-K123 PolarHBondContact O-N 2.93Å; W120-K123 PolarHBondContact O-N 3.34Å; K121-K123 VanDerWaalsContact C-N 3.34Å; K121-K123 PolarHBondContact O-N 2.88Å; K123-E127 WeakPolarHBondContact O-CG 3.39Å; K123-E127 PolarHBondContact O-N 3.05Å |
| 124 | I | 83.7 | Confident | 84.5 | Confident | 57 Ų | 57 | 96.6 Ų | 96.6 | 29% | 0.292 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.9 | -43 | 175.6 | -74 | -178.7 | 0 | 0 | 0 | 111.2 | W120 K121 K122 E126 E127 L128 | W120-I124 HydrophobicContact CD2-CD1 3.63Å; W120-I124 HydrophobicContact CD2-CG1 4.4Å; W120-I124 HydrophobicContact CE3-CD1 3.69Å; W120-I124 HydrophobicContact CH2-CD1 3.29Å; W120-I124 HydrophobicContact CZ2-CD1 3.23Å; W120-I124 HydrophobicContact CZ2-CG1 4.48Å; W120-I124 HydrophobicContact CZ3-CD1 3.52Å; W120-I124 WeakPolarHBondContact O-CG1 3.36Å; W120-I124 PolarHBondContact O-N 3.46Å; K121-I124 PolarHBondContact O-N 3.33Å; K122-I124 PolarHBondContact O-N 3.39Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 3.24Å; I124-E127 PolarHBondContact O-N 3.38Å; I124-L128 VanDerWaalsContact O-CB 3.28Å; I124-L128 WeakPolarHBondContact O-CB 3.39Å; I124-L128 PolarHBondContact O-N 3.48Å |
| 125 | E | 88.7 | Confident | 85.3 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.1 | -74.7 | 174.3 | 179.6 | 0 | 0 | 111.4 | K121 K122 L128 V129 | K121-E125 WeakPolarHBondContact CE-OE1 3.4Å; K121-E125 WeakPolarHBondContact O-CG 3.38Å; K121-E125 PolarHBondContact O-N 3.47Å; K122-E125 PolarHBondContact O-N 2.89Å; E125-L128 PolarHBondContact O-N 2.97Å; E125-V129 VanDerWaalsContact O-CG2 3.32Å; E125-V129 WeakPolarHBondContact O-CG2 3.36Å; E125-V129 PolarHBondContact O-N 3.35Å |
| 126 | E | 88.6 | Confident | 86.2 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 174.3 | -74.9 | 172.9 | -172.2 | 0 | 0 | 112.2 | K122 I124 L128 V129 I130 | K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 WeakPolarHBondContact O-CG 3.34Å; K122-E126 PolarHBondContact O-N 3.4Å; I124-E126 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 3.24Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.34Å; E126-V129 PolarHBondContact O-N 3.03Å; E126-I130 WeakPolarHBondContact O-CG1 3.39Å; E126-I130 PolarHBondContact O-N 2.96Å |
| 127 | E | 87.8 | Confident | 87 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 175.7 | -75.5 | -64.3 | 154.1 | 0 | 0 | 112 | K123 I124 I130 I131 | K123-E127 WeakPolarHBondContact O-CG 3.39Å; K123-E127 PolarHBondContact O-N 3.05Å; I124-E127 PolarHBondContact O-N 3.38Å; E127-I130 PolarHBondContact O-N 2.86Å; E127-I131 VanDerWaalsContact O-CG1 3.27Å; E127-I131 WeakPolarHBondContact O-CG1 3.35Å; E127-I131 PolarHBondContact O-N 3.08Å |
| 128 | L | 88.9 | Confident | 87.5 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 179.4 | -156.5 | 147.5 | 0 | 0 | 0 | 111.3 | I80 I124 E125 E126 I131 H132 | I80-L128 HydrophobicContact CG2-CD1 4.47Å; I124-L128 VanDerWaalsContact O-CB 3.28Å; I124-L128 WeakPolarHBondContact O-CB 3.39Å; I124-L128 PolarHBondContact O-N 3.48Å; E125-L128 PolarHBondContact O-N 2.97Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.34Å; L128-I131 PolarHBondContact O-N 3.43Å; L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.36Å; L128-H132 PolarHBondContact O-N 2.85Å |
| 129 | V | 91.8 | Very high | 87.7 | Confident | 100 Ų | 100 | 99.2 Ų | 99.2 | 61% | 0.606 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 171.7 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | E125 E126 H132 S133 | E125-V129 VanDerWaalsContact O-CG2 3.32Å; E125-V129 WeakPolarHBondContact O-CG2 3.36Å; E125-V129 PolarHBondContact O-N 3.35Å; E126-V129 PolarHBondContact O-N 3.03Å; V129-H132 PolarHBondContact O-N 3.24Å; V129-S133 WeakPolarHBondContact O-CB 2.92Å; V129-S133 PolarHBondContact O-N 2.88Å |
| 130 | I | 88.9 | Confident | 88.1 | Confident | 73 Ų | 73 | 97.3 Ų | 97.3 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.8 | -66.9 | 166.6 | 0 | 0 | 0 | 110.7 | E126 E127 S133 K134 | E126-I130 WeakPolarHBondContact O-CG1 3.39Å; E126-I130 PolarHBondContact O-N 2.96Å; E127-I130 PolarHBondContact O-N 2.86Å; I130-S133 PolarHBondContact O-N 3.38Å; I130-K134 HydrophobicContact CG2-CD 4.12Å; I130-K134 WeakPolarHBondContact O-CG 3.43Å; I130-K134 PolarHBondContact O-N 3.34Å |
| 131 | I | 87.8 | Confident | 88.3 | Confident | 82 Ų | 82 | 93 Ų | 93 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 177.5 | -69.5 | 165.3 | 0 | 0 | 0 | 110.3 | E127 L128 S133 K134 L135 | E127-I131 VanDerWaalsContact O-CG1 3.27Å; E127-I131 WeakPolarHBondContact O-CG1 3.35Å; E127-I131 PolarHBondContact O-N 3.08Å; L128-I131 PolarHBondContact O-N 3.43Å; I131-S133 PolarHBondContact O-N 2.79Å; I131-K134 PolarHBondContact O-N 2.85Å; I131-L135 HydrophobicContact CG2-CD1 3.91Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CB 3.44Å; I131-L135 WeakPolarHBondContact O-CG 3.17Å; I131-L135 PolarHBondContact O-N 2.79Å |
| 132 | H | 88.7 | Confident | 88.1 | Confident | 128 Ų | 128 | 93.2 Ų | 93.2 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 177.6 | -170.5 | -100.7 | 0 | 0 | 0 | 111.9 | L128 V129 K134 L135 S136 | L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.36Å; L128-H132 PolarHBondContact O-N 2.85Å; V129-H132 PolarHBondContact O-N 3.24Å; H132-K134 PolarHBondContact O-N 3.01Å; H132-L135 PolarHBondContact O-N 2.95Å; H132-S136 WeakPolarHBondContact O-CB 3.48Å; H132-S136 PolarHBondContact O-N 3.3Å |
| 133 | S | 90.1 | Very high | 88 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 30% | 0.301 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | V129 I130 I131 S136 R137 | V129-S133 WeakPolarHBondContact O-CB 2.92Å; V129-S133 PolarHBondContact O-N 2.88Å; I130-S133 PolarHBondContact O-N 3.38Å; I131-S133 PolarHBondContact O-N 2.79Å; S133-S136 PolarHBondContact O-N 3.21Å; S133-R137 WeakPolarHBondContact O-CG 3.03Å; S133-R137 PolarHBondContact O-N 3.42Å; S133-R137 PolarHBondContact OG-NE 3.45Å; S133-R137 PolarHBondContact OG-NH2 3.41Å; S133-R137 VanDerWaalsContact OG-NH2 3.16Å |
| 134 | K | 90.6 | Very high | 87.7 | Confident | 122 Ų | 122 | 93.7 Ų | 93.7 | 53% | 0.53 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.9 | -73.6 | 171.8 | -178.8 | 169.4 | 0 | 111.5 | I130 I131 H132 R137 I138 | I130-K134 HydrophobicContact CG2-CD 4.12Å; I130-K134 WeakPolarHBondContact O-CG 3.43Å; I130-K134 PolarHBondContact O-N 3.34Å; I131-K134 PolarHBondContact O-N 2.85Å; H132-K134 PolarHBondContact O-N 3.01Å; K134-R137 PolarHBondContact O-N 3.48Å; K134-I138 VanDerWaalsContact O-CG1 3.31Å; K134-I138 WeakPolarHBondContact O-CG1 3.45Å; K134-I138 PolarHBondContact O-N 3.4Å |
| 135 | L | 88.5 | Confident | 87.3 | Confident | 71 Ų | 71 | 92.9 Ų | 92.9 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.4 | -76.4 | 170 | 0 | 0 | 0 | 111.8 | L73 I131 H132 I138 N139 | L73-L135 HydrophobicContact CD1-CD2 4.03Å; I131-L135 HydrophobicContact CG2-CD1 3.91Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CB 3.44Å; I131-L135 WeakPolarHBondContact O-CG 3.17Å; I131-L135 PolarHBondContact O-N 2.79Å; H132-L135 PolarHBondContact O-N 2.95Å; L135-I138 PolarHBondContact O-N 3.29Å; L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.3Å |
| 136 | S | 91.4 | Very high | 86.3 | Confident | 52 Ų | 52 | 94.4 Ų | 94.4 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | H132 S133 I138 N139 N140 | H132-S136 WeakPolarHBondContact O-CB 3.48Å; H132-S136 PolarHBondContact O-N 3.3Å; S133-S136 PolarHBondContact O-N 3.21Å; S136-I138 PolarHBondContact O-N 3.49Å; S136-N139 PolarHBondContact O-N 3.08Å; S136-N140 WeakPolarHBondContact O-CB 3.45Å; S136-N140 PolarHBondContact O-N 2.87Å |
| 137 | R | 89.7 | Confident | 85.3 | Confident | 169 Ų | 169 | 97.8 Ų | 97.8 | 64% | 0.638 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60 | -45 | 174.6 | -70.3 | 179.4 | -139.7 | -164.8 | 3 | 112.2 | S133 K134 N139 N140 A141 | S133-R137 WeakPolarHBondContact O-CG 3.03Å; S133-R137 PolarHBondContact O-N 3.42Å; S133-R137 PolarHBondContact OG-NE 3.45Å; S133-R137 PolarHBondContact OG-NH2 3.41Å; S133-R137 VanDerWaalsContact OG-NH2 3.16Å; K134-R137 PolarHBondContact O-N 3.48Å; R137-N139 VanDerWaalsContact C-N 3.35Å; R137-N140 PolarHBondContact O-N 3.25Å; R137-A141 WeakPolarHBondContact O-CB 3.33Å; R137-A141 PolarHBondContact O-N 2.93Å |
| 138 | I | 87 | Confident | 83.8 | Confident | 100 Ų | 100 | 99 Ų | 99 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 177 | -68 | 165.7 | 0 | 0 | 0 | 110.2 | K134 L135 S136 N140 A141 L142 | K134-I138 VanDerWaalsContact O-CG1 3.31Å; K134-I138 WeakPolarHBondContact O-CG1 3.45Å; K134-I138 PolarHBondContact O-N 3.4Å; L135-I138 PolarHBondContact O-N 3.29Å; S136-I138 PolarHBondContact O-N 3.49Å; I138-N140 PolarHBondContact O-N 3.33Å; I138-A141 PolarHBondContact O-N 3.49Å; I138-L142 HydrophobicContact CG2-CD1 4.09Å; I138-L142 HydrophobicContact CG2-CG 4.48Å; I138-L142 WeakPolarHBondContact O-CB 3.25Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.31Å; I138-L142 PolarHBondContact O-N 3.37Å |
| 139 | N | 87.2 | Confident | 82.1 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 179.3 | -164.9 | 21.2 | 0 | 0 | 0 | 111.9 | L135 S136 R137 L142 K143 | L135-N139 WeakPolarHBondContact O-CB 3.41Å; L135-N139 PolarHBondContact O-N 3.3Å; S136-N139 PolarHBondContact O-N 3.08Å; R137-N139 VanDerWaalsContact C-N 3.35Å; N139-L142 PolarHBondContact O-N 3.06Å; N139-K143 WeakPolarHBondContact O-CG 3.26Å; N139-K143 PolarHBondContact O-N 3.4Å |
| 140 | N | 88.7 | Confident | 80.1 | Confident | 78 Ų | 78 | 98 Ų | 98 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176 | -74 | -18.6 | 0 | 0 | 0 | 112.3 | S136 R137 I138 L142 K143 K144 | S136-N140 WeakPolarHBondContact O-CB 3.45Å; S136-N140 PolarHBondContact O-N 2.87Å; R137-N140 PolarHBondContact O-N 3.25Å; I138-N140 PolarHBondContact O-N 3.33Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 3.33Å; N140-K143 PolarHBondContact O-N 3.27Å; N140-K144 WeakPolarHBondContact O-CB 3.46Å; N140-K144 WeakPolarHBondContact O-CG 3.45Å; N140-K144 PolarHBondContact O-N 3.01Å |
| 141 | A | 84.7 | Confident | 78.5 | Confident | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R137 I138 K144 S145 | R137-A141 WeakPolarHBondContact O-CB 3.33Å; R137-A141 PolarHBondContact O-N 2.93Å; I138-A141 PolarHBondContact O-N 3.49Å; A141-K144 PolarHBondContact O-N 2.98Å; A141-S145 PolarHBondContact O-N 3.29Å |
| 142 | L | 82.4 | Confident | 76.8 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 45% | 0.45 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 174.3 | -70.6 | 173.7 | 0 | 0 | 0 | 111.3 | I138 N139 N140 K144 S145 Y146 | I138-L142 HydrophobicContact CG2-CD1 4.09Å; I138-L142 HydrophobicContact CG2-CG 4.48Å; I138-L142 WeakPolarHBondContact O-CB 3.25Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.31Å; I138-L142 PolarHBondContact O-N 3.37Å; N139-L142 PolarHBondContact O-N 3.06Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 3.33Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 2.87Å; L142-S145 PolarHBondContact O-N 2.95Å; L142-S145 VanDerWaalsContact O-N 3.11Å; L142-S145 PolarHBondContact O-OG 2.87Å; L142-Y146 WeakPolarHBondContact O-CD2 3.38Å; L142-Y146 PolarHBondContact O-N 3.21Å |
| 143 | K | 83.9 | Confident | 75 | Confident | 121 Ų | 121 | 105.5 Ų | 105.5 | 53% | 0.526 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.4 | -44.4 | 176.3 | -77 | -178.4 | 179.2 | -178.7 | 0 | 112.3 | N139 N140 Y146 K147 | N139-K143 WeakPolarHBondContact O-CG 3.26Å; N139-K143 PolarHBondContact O-N 3.4Å; N140-K143 PolarHBondContact O-N 3.27Å; K143-Y146 PolarHBondContact O-N 3.06Å; K143-K147 PolarHBondContact O-N 2.96Å; K143-K147 VanDerWaalsContact O-N 3.09Å |
| 144 | K | 82 | Confident | 73.3 | Confident | 152 Ų | 152 | 108.8 Ų | 108.8 | 66% | 0.661 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.8 | -43.5 | 175.2 | -74.1 | -179.1 | 178.6 | -172.6 | 0 | 111.7 | N140 A141 L142 Y146 K147 I148 | N140-K144 WeakPolarHBondContact O-CB 3.46Å; N140-K144 WeakPolarHBondContact O-CG 3.45Å; N140-K144 PolarHBondContact O-N 3.01Å; A141-K144 PolarHBondContact O-N 2.98Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 2.87Å; K144-Y146 VanDerWaalsContact C-N 3.28Å; K144-Y146 PolarHBondContact O-N 3.23Å; K144-K147 PolarHBondContact O-N 3.24Å; K144-I148 WeakPolarHBondContact O-CG1 3.4Å; K144-I148 PolarHBondContact O-N 3.07Å |
| 145 | S | 76 | Confident | 71.4 | Confident | 41 Ų | 41 | 106 Ų | 106 | 29% | 0.287 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.8 | -31.3 | 177.6 | 73.6 | 0 | 0 | 0 | 0 | 113.5 | A141 L142 | A141-S145 PolarHBondContact O-N 3.29Å; L142-S145 PolarHBondContact O-N 2.95Å; L142-S145 VanDerWaalsContact O-N 3.11Å; L142-S145 PolarHBondContact O-OG 2.87Å |
| 146 | Y | 68.4 | Low | 69.9 | Low | 139 Ų | 139 | 110 Ų | 110 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.2 | -34.6 | 176 | -90 | -82.8 | 0 | 0 | 0 | 113 | L142 K143 K144 I148 A149 | L142-Y146 WeakPolarHBondContact O-CD2 3.38Å; L142-Y146 PolarHBondContact O-N 3.21Å; K143-Y146 PolarHBondContact O-N 3.06Å; K144-Y146 VanDerWaalsContact C-N 3.28Å; K144-Y146 PolarHBondContact O-N 3.23Å; Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 3.39Å; Y146-A149 WeakPolarHBondContact O-CB 3.38Å; Y146-A149 PolarHBondContact O-N 3.26Å |
| 147 | K | 66.2 | Low | 68.3 | Low | 178 Ų | 178 | 112.6 Ų | 112.6 | 77% | 0.774 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.4 | -20.5 | 178.7 | -73.9 | -170.7 | 176.6 | -168.1 | 0 | 114.1 | K143 K144 A149 P150 | K143-K147 PolarHBondContact O-N 2.96Å; K143-K147 VanDerWaalsContact O-N 3.09Å; K144-K147 PolarHBondContact O-N 3.24Å; K147-A149 VanDerWaalsContact C-N 3.26Å; K147-P150 VanDerWaalsContact O-CD 3.31Å; K147-P150 WeakPolarHBondContact O-CD 3.43Å |
| 148 | I | 57.7 | Low | 66.9 | Low | 124 Ų | 124 | 107.5 Ų | 107.5 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -5.9 | 176.1 | -58.5 | 163.3 | 0 | 0 | 0 | 111.2 | K144 Y146 | K144-I148 WeakPolarHBondContact O-CG1 3.4Å; K144-I148 PolarHBondContact O-N 3.07Å; Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 3.39Å |
| 149 | A | 52.9 | Low | 65.7 | Low | 68 Ų | 68 | 106.6 Ų | 106.6 | 56% | 0.562 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -93.1 | -11.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | Y146 K147 | Y146-A149 WeakPolarHBondContact O-CB 3.38Å; Y146-A149 PolarHBondContact O-N 3.26Å; K147-A149 VanDerWaalsContact C-N 3.26Å |
| 150 | P | 49.3 | Very low | 64.7 | Low | 87 Ų | 87 | 107 Ų | 107 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -107.4 | 114.6 | 166.5 | 33.1 | -18.9 | 0 | 0 | 0 | 108.2 | K147 | K147-P150 VanDerWaalsContact O-CD 3.31Å; K147-P150 WeakPolarHBondContact O-CD 3.43Å |
| 151 | Q | 55.8 | Low | 63.8 | Low | 188 Ų | 188 | 110.4 Ų | 110.4 | 88% | 0.879 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 171.3 | -21.9 | 142.4 | -76.6 | -130.7 | -9.1 | 0 | 0 | 112.1 | ||
| 152 | N | 50.8 | Low | 62.9 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | trans | -118.3 | 86.9 | 177.8 | -65.6 | -14.9 | 0 | 0 | 0 | 112.3 | S154 | N152-S154 PolarHBondContact O-N 2.03Š| ||
| 153 | A | 51.4 | Low | 62.4 | Low | 106 Ų | 106 | 114.6 Ų | 114.6 | 88% | 0.876 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 17.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 154 | S | 54.7 | Low | 61.9 | Low | 111 Ų | 111 | 110.9 Ų | 110.9 | 78% | 0.776 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -21.9 | -172.2 | -175.7 | 0 | 0 | 0 | 0 | 115.3 | N152 | N152-S154 PolarHBondContact O-N 2.03Š|
| 155 | S | 51.6 | Low | 61.6 | Low | 65 Ų | 65 | 111.7 Ų | 111.7 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | trans | -112.6 | 77.9 | -172.6 | -38.6 | 0 | 0 | 0 | 0 | 112.8 | T157 T158 | S155-T157 PolarHBondContact O-N 3.12Å; S155-T158 PolarHBondContact O-N 3.18Å; S155-T158 PolarHBondContact O-OG1 3Å | ||
| 156 | K | 56.5 | Low | 61.6 | Low | 154 Ų | 154 | 114.4 Ų | 114.4 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -11.4 | -178.4 | -75.6 | 172.3 | -177.6 | 162.6 | 0 | 114.7 | ||
| 157 | T | 57.6 | Low | 62 | Low | 106 Ų | 106 | 113.2 Ų | 113.2 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -24.7 | -177.1 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | S155 | S155-T157 PolarHBondContact O-N 3.12Š|
| 158 | T | 60.1 | Low | 62.5 | Low | 63 Ų | 63 | 109.5 Ų | 109.5 | 39% | 0.387 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -79.4 | -30.7 | -171.7 | 37.4 | 0 | 0 | 0 | 0 | 114.1 | S155 R162 | S155-T158 PolarHBondContact O-N 3.18Å; S155-T158 PolarHBondContact O-OG1 3Å; T158-R162 WeakPolarHBondContact O-CB 3.43Å; T158-R162 VanDerWaalsContact O-CG 3.27Å; T158-R162 WeakPolarHBondContact O-CG 3.27Å; T158-R162 PolarHBondContact O-N 3.28Å |
| 159 | V | 62.1 | Low | 63.3 | Low | 81 Ų | 81 | 106.7 Ų | 106.7 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.6 | -41.8 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | R162 M163 | V159-R162 PolarHBondContact O-N 3.07Å; V159-M163 WeakPolarHBondContact O-CB 3.36Å; V159-M163 PolarHBondContact O-N 3.47Å |
| 160 | S | 66.2 | Low | 64.2 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.8 | -44.8 | 177.7 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | R162 M163 A164 | S160-R162 PolarHBondContact O-N 3.42Å; S160-M163 PolarHBondContact O-N 3.02Å; S160-A164 WeakPolarHBondContact O-CB 3.32Å; S160-A164 PolarHBondContact O-N 3.23Å |
| 161 | Y | 68.8 | Low | 65.5 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 59% | 0.592 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -42.9 | 177 | -175.9 | -97.3 | 0 | 0 | 0 | 112.3 | A164 R165 | Y161-A164 PolarHBondContact O-N 3.31Å; Y161-R165 VanDerWaalsContact O-CB 3.31Å; Y161-R165 WeakPolarHBondContact O-CB 3.31Å; Y161-R165 PolarHBondContact O-N 3.3Å |
| 162 | R | 67.3 | Low | 66.2 | Low | 154 Ų | 154 | 109 Ų | 109 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.1 | -40 | 177 | -75.7 | 179.6 | -179.8 | -167.7 | 0.6 | 112.4 | T158 V159 S160 R165 L166 | T158-R162 WeakPolarHBondContact O-CB 3.43Å; T158-R162 VanDerWaalsContact O-CG 3.27Å; T158-R162 WeakPolarHBondContact O-CG 3.27Å; T158-R162 PolarHBondContact O-N 3.28Å; V159-R162 PolarHBondContact O-N 3.07Å; S160-R162 PolarHBondContact O-N 3.42Å; R162-R165 PolarHBondContact O-N 2.97Å; R162-L166 PolarHBondContact O-N 2.92Å |
| 163 | M | 71.2 | Confident | 66.8 | Low | 79 Ų | 79 | 108.8 Ų | 108.8 | 39% | 0.389 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.6 | -42.3 | 177 | -148.8 | 91.8 | 97.2 | 0 | 0 | 111.4 | L62 V159 S160 R165 L166 L167 | L62-M163 HydrophobicContact CD2-CE 4.35Å; V159-M163 WeakPolarHBondContact O-CB 3.36Å; V159-M163 PolarHBondContact O-N 3.47Å; S160-M163 PolarHBondContact O-N 3.02Å; M163-R165 VanDerWaalsContact C-N 3.33Å; M163-R165 PolarHBondContact O-N 3.43Å; M163-L166 PolarHBondContact O-N 3.27Å; M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 3.45Å |
| 164 | A | 72.6 | Confident | 67.1 | Low | 44 Ų | 44 | 113.3 Ų | 113.3 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.6 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S160 Y161 L167 N168 | S160-A164 WeakPolarHBondContact O-CB 3.32Å; S160-A164 PolarHBondContact O-N 3.23Å; Y161-A164 PolarHBondContact O-N 3.31Å; A164-L167 PolarHBondContact O-N 3.12Å; A164-N168 WeakPolarHBondContact O-CB 3.34Å; A164-N168 PolarHBondContact O-N 3.44Å |
| 165 | R | 76.4 | Confident | 67.3 | Low | 168 Ų | 168 | 114.8 Ų | 114.8 | 63% | 0.634 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 175.1 | -162.2 | 174.6 | -176.7 | 176.7 | 1.8 | 111.8 | Y161 R162 M163 N168 S169 | Y161-R165 VanDerWaalsContact O-CB 3.31Å; Y161-R165 WeakPolarHBondContact O-CB 3.31Å; Y161-R165 PolarHBondContact O-N 3.3Å; R162-R165 PolarHBondContact O-N 2.97Å; M163-R165 VanDerWaalsContact C-N 3.33Å; M163-R165 PolarHBondContact O-N 3.43Å; R165-N168 PolarHBondContact O-N 2.93Å; R165-S169 WeakPolarHBondContact O-CB 3Å; R165-S169 PolarHBondContact O-N 2.95Å; R165-S169 PolarHBondContact O-OG 2.88Å |
| 166 | L | 75.7 | Confident | 67.5 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -43.9 | 174.3 | -82 | 166.9 | 0 | 0 | 0 | 112.5 | R162 M163 N168 S169 L170 | R162-L166 PolarHBondContact O-N 2.92Å; M163-L166 PolarHBondContact O-N 3.27Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 2.83Å; L166-S169 PolarHBondContact O-N 3.45Å; L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 2.9Å |
| 167 | L | 76.8 | Confident | 67 | Low | 114 Ų | 114 | 116.5 Ų | 116.5 | 60% | 0.597 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63 | -40.8 | 176.4 | -73.6 | 170.6 | 0 | 0 | 0 | 111.7 | M163 A164 L170 K171 | M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 3.45Å; A164-L167 PolarHBondContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 3.48Å; L167-K171 WeakPolarHBondContact O-CB 3.41Å; L167-K171 PolarHBondContact O-N 3.23Å |
| 168 | N | 75.8 | Confident | 66.6 | Low | 99 Ų | 99 | 119.6 Ų | 119.6 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.4 | -38.5 | 174.9 | -80.4 | -20.2 | 0 | 0 | 0 | 112.5 | A164 R165 L166 K171 K172 | A164-N168 WeakPolarHBondContact O-CB 3.34Å; A164-N168 PolarHBondContact O-N 3.44Å; R165-N168 PolarHBondContact O-N 2.93Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 2.83Å; N168-K171 PolarHBondContact O-N 3.37Å; N168-K172 WeakPolarHBondContact O-CB 3.47Å; N168-K172 WeakPolarHBondContact O-CG 3.45Å; N168-K172 PolarHBondContact O-N 2.95Å |
| 169 | S | 75.9 | Confident | 65.9 | Low | 66 Ų | 66 | 121.9 Ų | 121.9 | 46% | 0.462 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.6 | -41.6 | 173.6 | -75.9 | 0 | 0 | 0 | 0 | 112.3 | R165 L166 K172 Q173 | R165-S169 WeakPolarHBondContact O-CB 3Å; R165-S169 PolarHBondContact O-N 2.95Å; R165-S169 PolarHBondContact O-OG 2.88Å; L166-S169 PolarHBondContact O-N 3.45Å; S169-K172 PolarHBondContact O-N 3.47Å; S169-Q173 PolarHBondContact O-N 3.08Å |
| 170 | L | 72.1 | Confident | 65.5 | Low | 102 Ų | 102 | 126.2 Ų | 126.2 | 53% | 0.534 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.7 | -38 | 175.1 | -75.3 | 168.4 | 0 | 0 | 0 | 112.1 | L166 L167 Q173 R174 | L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 2.9Å; L167-L170 PolarHBondContact O-N 3.48Å; L170-Q173 PolarHBondContact O-N 3.27Å; L170-R174 PolarHBondContact O-N 2.02Å; L170-R174 VanDerWaalsContact O-N 3.09Å |
| 171 | K | 74.9 | Confident | 64.6 | Low | 140 Ų | 140 | 127.1 Ų | 127.1 | 61% | 0.609 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.9 | -40.7 | 174.2 | -166.6 | 175.8 | -179.3 | -177.3 | 0 | 111.4 | L167 N168 R174 L175 | L167-K171 WeakPolarHBondContact O-CB 3.41Å; L167-K171 PolarHBondContact O-N 3.23Å; N168-K171 PolarHBondContact O-N 3.37Å; K171-R174 PolarHBondContact O-N 2.77Å; K171-L175 PolarHBondContact O-N 2.98Å; K171-L175 VanDerWaalsContact O-N 3.17Å |
| 172 | K | 70.8 | Confident | 63.4 | Low | 150 Ų | 150 | 131.4 Ų | 131.4 | 65% | 0.652 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.7 | -37.3 | 173.9 | -77.3 | -175.2 | 176.6 | -172.2 | 0 | 112.7 | N168 S169 R174 L175 R176 | N168-K172 WeakPolarHBondContact O-CB 3.47Å; N168-K172 WeakPolarHBondContact O-CG 3.45Å; N168-K172 PolarHBondContact O-N 2.95Å; S169-K172 PolarHBondContact O-N 3.47Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 2.97Å; K172-L175 PolarHBondContact O-N 3.03Å; K172-R176 PolarHBondContact O-N 3.3Å |
| 173 | Q | 63.9 | Low | 62.6 | Low | 141 Ų | 141 | 129 Ų | 129 | 66% | 0.659 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.2 | -32.3 | 173.3 | -81 | -171.4 | -25.2 | 0 | 0 | 112.8 | S169 L170 | S169-Q173 PolarHBondContact O-N 3.08Å; L170-Q173 PolarHBondContact O-N 3.27Å |
| 174 | R | 58.7 | Low | 61.3 | Low | 202 Ų | 202 | 128.8 Ų | 128.8 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.2 | -33 | 171.5 | -82.3 | -176.1 | 172.6 | -176.7 | -4.5 | 113.4 | L170 K171 K172 | L170-R174 PolarHBondContact O-N 2.02Å; L170-R174 VanDerWaalsContact O-N 3.09Å; K171-R174 PolarHBondContact O-N 2.77Å; K172-R174 VanDerWaalsContact C-N 3.3Å; K172-R174 PolarHBondContact O-N 2.97Å |
| 175 | L | 57.6 | Low | 60.3 | Low | 142 Ų | 142 | 132.4 Ų | 132.4 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -79.3 | -26 | 176.3 | -68.1 | 169.1 | 0 | 0 | 0 | 112.7 | K171 K172 G177 | K171-L175 PolarHBondContact O-N 2.98Å; K171-L175 VanDerWaalsContact O-N 3.17Å; K172-L175 PolarHBondContact O-N 3.03Å; L175-G177 PolarHBondContact O-N 3.09Å |
| 176 | R | 55.8 | Low | 58.7 | Low | 199 Ų | 199 | 134.3 Ų | 134.3 | 75% | 0.751 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 30.6 | 169.7 | -87.4 | -169.9 | 173.2 | -137.3 | 2 | 113.1 | K172 N178 | K172-R176 PolarHBondContact O-N 3.3Å; R176-N178 PolarHBondContact O-N 2.9Å |
| 177 | G | 47.1 | Very low | 57.9 | Low | 56 Ų | 56 | 135.8 Ų | 135.8 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 116.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L175 | L175-G177 PolarHBondContact O-N 3.09Š|
| 178 | N | 49 | Very low | 56.4 | Low | 171 Ų | 171 | 136 Ų | 136 | 91% | 0.914 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.2 | 32.1 | 157.7 | -115.7 | 30.4 | 0 | 0 | 0 | 120.2 | R176 | R176-N178 PolarHBondContact O-N 2.9Š|
| 179 | T | 45.4 | Very low | 55.1 | Low | 110 Ų | 110 | 142.9 Ų | 142.9 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | trans | -111.8 | 97.8 | 153.7 | 36.8 | 0 | 0 | 0 | 0 | 109.1 | P181 | T179-P181 WeakPolarHBondContact O-CD 3.47Š| ||
| 180 | Q | 53 | Low | 53.9 | Low | 173 Ų | 173 | 149.9 Ų | 149.9 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -52.8 | 125 | 162.4 | -110.4 | -159.6 | 1.7 | 0 | 0 | 108.2 | R182 | Q180-R182 PolarHBondContact O-N 2.04Š| ||
| 181 | P | 48.2 | Very low | 52.5 | Low | 109 Ų | 109 | 148.6 Ų | 148.6 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | trans | -76.7 | 103.6 | 157.6 | 26.2 | -17.4 | 0 | 0 | 0 | 106.7 | T179 S183 | T179-P181 WeakPolarHBondContact O-CD 3.47Å; P181-S183 PolarHBondContact O-N 2.86Å | ||
| 182 | R | 43.5 | Very low | 51.2 | Low | 241 Ų | 241 | 148 Ų | 148 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 93.1 | 156.8 | -100.2 | -175 | 167 | -160.3 | -1.6 | 106.8 | Q180 | Q180-R182 PolarHBondContact O-N 2.04Š| ||
| 183 | S | 50.8 | Low | 50.1 | Low | 105 Ų | 105 | 150.6 Ų | 150.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -105.4 | 96.9 | 159.9 | 54.7 | 0 | 0 | 0 | 0 | 106.9 | P181 | P181-S183 PolarHBondContact O-N 2.86Š| ||
| 184 | G | 43 | Very low | 49 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -77.8 | 157 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 185 | P | 51.7 | Low | 48.4 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -108.1 | 136.6 | 142.4 | 2.4 | 17.9 | 0 | 0 | 0 | 109.9 | ||||
| 186 | F | 44.1 | Very low | 47.7 | Very low | 208 Ų | 208 | 144.1 Ų | 144.1 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | trans | -35.2 | 126.8 | 175.4 | -73.9 | -102.8 | 0 | 0 | 0 | 116.1 | ||||
| 187 | V | 58.8 | Low | 47.1 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -138.7 | 117 | 146.8 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 188 | P | 43.5 | Very low | 46.6 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -91.8 | 113.5 | 171.9 | 31.9 | -24.5 | 0 | 0 | 0 | 109.2 | ||||
| 189 | R | 49.6 | Very low | 46.2 | Very low | 244 Ų | 244 | 147.7 Ų | 147.7 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -141.6 | 116.2 | 160.6 | -123.9 | 178.5 | -176.3 | -166.6 | 0.3 | 112.2 | ||||
| 190 | K | 49.5 | Very low | 45.6 | Very low | 213 Ų | 213 | 148.5 Ų | 148.5 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | trans | -34.2 | 145.7 | 172 | -67.1 | 169.1 | 170.3 | -178.7 | 0 | 115.9 | ||||
| 191 | G | 44.1 | Very low | 44.9 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 137.1 | 103.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 192 | P | 46.8 | Very low | 44.4 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -100.4 | 154 | -177.3 | 37.4 | -30 | 0 | 0 | 0 | 113 | ||||
| 193 | K | 48.5 | Very low | 44.5 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -157.6 | 127.6 | 143.3 | -129.7 | 173 | -176.1 | 176.7 | 0 | 111 | ||||
| 194 | P | 40.7 | Very low | 44 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -95.6 | 173.8 | 177.1 | 38.9 | -32.7 | 0 | 0 | 0 | 111.6 | ||||
| 195 | S | 45.5 | Very low | 44.2 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 116.7 | 126 | 155.3 | -54.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 196 | D | 43.7 | Very low | 43.8 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 79.4 | 98 | 151.7 | -47.7 | -28.8 | 0 | 0 | 0 | 117.1 | ||||
| 197 | L | 43 | Very low | 44.4 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | 179.4 | 124.3 | 93.3 | -85.6 | 168.2 | 0 | 0 | 0 | 110.5 | |||||
| 198 | L | 37 | Very low | 44.2 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -53.8 | 129.4 | 167.7 | -64.3 | 159 | 0 | 0 | 0 | 110.2 | ||||
| 199 | L | 40.1 | Very low | 44.7 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -156.5 | 108.4 | 141.4 | -115.3 | 100.3 | 0 | 0 | 0 | 108.2 | T201 | L199-T201 PolarHBondContact O-N 2.97Š| ||
| 200 | S | 31.8 | Very low | 44.7 | Very low | 127 Ų | 127 | 138 Ų | 138 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -76.6 | 105.6 | 178.1 | -169.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 201 | T | 39.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -129.6 | 83.7 | 165.1 | -13.8 | 0 | 0 | 0 | 0 | 108.1 | L199 S203 | L199-T201 PolarHBondContact O-N 2.97Å; T201-S203 PolarHBondContact O-N 3.01Å | ||
| 202 | G | 37.6 | Very low | 45 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 116.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 203 | S | 45.2 | Very low | 44.9 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.8 | -176.6 | 62.3 | 0 | 0 | 0 | 0 | 114 | T201 | T201-S203 PolarHBondContact O-N 3.01Š|
| 204 | P | 40.4 | Very low | 45.1 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 61% | 0.61 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 150.9 | 154.8 | 34.4 | -24.4 | 0 | 0 | 0 | 109.9 | ||
| 205 | F | 46.8 | Very low | 45.6 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 89.9 | 55.1 | 164.2 | -44.6 | -66.5 | 0 | 0 | 0 | 119.4 | K207 | F205-K207 HydrophobicContact CB-CG 4.27Å; F205-K207 PolarHBondContact O-N 3.12Å | ||
| 206 | A | 43.8 | Very low | 46.2 | Very low | 100 Ų | 100 | 132.1 Ų | 132.1 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | -71.3 | 77.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K208 | A206-K208 PolarHBondContact O-N 3.37Š| ||
| 207 | K | 56.7 | Low | 47 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | -66.1 | 96.9 | 173.3 | -74.9 | 177.5 | -179.1 | -179.2 | 0 | 109.1 | F205 | F205-K207 HydrophobicContact CB-CG 4.27Å; F205-K207 PolarHBondContact O-N 3.12Å | ||
| 208 | K | 53.3 | Low | 48.5 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -57.7 | 131.1 | 168.5 | -71 | 171 | -179.5 | 173.9 | 0 | 108.6 | A206 L210 | A206-K208 PolarHBondContact O-N 3.37Å; K208-L210 PolarHBondContact O-N 2.89Å | ||
| 209 | P | 54.1 | Low | 50.8 | Low | 107 Ų | 107 | 132.2 Ų | 132.2 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -63.1 | 125.6 | 176.4 | 24.5 | -31.4 | 0 | 0 | 0 | 109.7 | I211 | P209-I211 VanDerWaalsContact C-N 3.28Å; P209-I211 PolarHBondContact O-N 3.1Å | ||
| 210 | L | 50.8 | Low | 52.8 | Low | 162 Ų | 162 | 125.3 Ų | 125.3 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | trans | -63.3 | 86.9 | 170.6 | -73.8 | 166.6 | 0 | 0 | 0 | 109.3 | K208 | K208-L210 PolarHBondContact O-N 2.89Š| ||
| 211 | I | 49.7 | Very low | 55.5 | Low | 109 Ų | 109 | 123 Ų | 123 | 56% | 0.559 | 67% | 0.671 | S | S | * | * | trans | -87.5 | 106.9 | 163.1 | -61.4 | 175.9 | 0 | 0 | 0 | 105.6 | P209 D213 | P209-I211 VanDerWaalsContact C-N 3.28Å; P209-I211 PolarHBondContact O-N 3.1Å; I211-D213 PolarHBondContact O-N 3.27Å | ||
| 212 | F | 49.4 | Very low | 57.9 | Low | 176 Ų | 176 | 123.4 Ų | 123.4 | 77% | 0.772 | 66% | 0.659 | S | S | * | * | trans | -62.1 | 80.1 | 162.6 | -71.8 | -89.7 | 0 | 0 | 0 | 108.7 | L214 | F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 HydrophobicContact CB-CD1 4.26Å; F212-L214 PolarHBondContact O-N 2.89Å; F212-L214 VanDerWaalsContact O-N 3.07Å | ||
| 213 | D | 46.1 | Very low | 60.3 | Low | 125 Ų | 125 | 121 Ų | 121 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | trans | -69.3 | 99.2 | 158.1 | -100.9 | -25.6 | 0 | 0 | 0 | 106 | I211 S215 | I211-D213 PolarHBondContact O-N 3.27Å; D213-S215 PolarHBondContact O-N 3.35Å | ||
| 214 | L | 52.4 | Low | 62.3 | Low | 142 Ų | 142 | 117.2 Ų | 117.2 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | trans | -64.7 | 68.7 | 166 | -92.5 | 93.5 | 0 | 0 | 0 | 109.1 | F212 V216 | F212-L214 VanDerWaalsContact C-N 3.31Å; F212-L214 HydrophobicContact CB-CD1 4.26Å; F212-L214 PolarHBondContact O-N 2.89Å; F212-L214 VanDerWaalsContact O-N 3.07Å; L214-V216 HydrophobicContact CB-CG2 3.81Å; L214-V216 HydrophobicContact CD2-CG2 3.75Å; L214-V216 HydrophobicContact CG-CG2 4.1Å; L214-V216 PolarHBondContact O-N 2.9Å | ||
| 215 | S | 49.5 | Very low | 64.7 | Low | 61 Ų | 61 | 117.3 Ų | 117.3 | 43% | 0.427 | 61% | 0.605 | S | S | . | * | trans | -74.7 | 68.7 | 155.1 | 166.9 | 0 | 0 | 0 | 0 | 107.4 | D213 K217 K218 Y219 | D213-S215 PolarHBondContact O-N 3.35Å; S215-K217 PolarHBondContact O-N 3.46Å; S215-K218 PolarHBondContact O-N 3.46Å; S215-Y219 WeakPolarHBondContact O-CE2 3.26Å | ||
| 216 | V | 58.2 | Low | 66.8 | Low | 89 Ų | 89 | 109.5 Ų | 109.5 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -60.3 | -17.2 | -176.6 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | L214 K218 | L214-V216 HydrophobicContact CB-CG2 3.81Å; L214-V216 HydrophobicContact CD2-CG2 3.75Å; L214-V216 HydrophobicContact CG-CG2 4.1Å; L214-V216 PolarHBondContact O-N 2.9Å; V216-K218 VanDerWaalsContact C-N 3.33Å; V216-K218 PolarHBondContact O-N 2.99Å |
| 217 | K | 60.5 | Low | 69 | Low | 213 Ų | 213 | 113.2 Ų | 113.2 | 93% | 0.926 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -77.9 | -6.7 | -178.6 | -71.2 | -167.2 | 173.3 | -168 | 0 | 115.6 | S215 | S215-K217 PolarHBondContact O-N 3.46Š|
| 218 | K | 76.4 | Confident | 70.6 | Confident | 175 Ų | 175 | 108.3 Ų | 108.3 | 76% | 0.761 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -106.4 | -1.2 | -174 | -139.9 | -177.3 | -175.7 | -176 | 0 | 114.6 | S215 V216 | S215-K218 PolarHBondContact O-N 3.46Å; V216-K218 VanDerWaalsContact C-N 3.33Å; V216-K218 PolarHBondContact O-N 2.99Å |
| 219 | Y | 83.5 | Confident | 72.4 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 36% | 0.361 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -101.8 | 132.5 | -178.3 | -59.2 | -76.9 | 0 | 0 | 0 | 110.3 | S215 R230 Q231 C232 | S215-Y219 WeakPolarHBondContact O-CE2 3.26Å; Y219-R230 WeakPolarHBondContact CD1-O 3.47Å; Y219-R230 VanDerWaalsContact CE1-O 3.26Å; Y219-R230 WeakPolarHBondContact CE1-O 3.33Å; Y219-Q231 CarbonylContact C-O 3.54Å; Y219-Q231 WeakPolarHBondContact CA-O 3.33Å; Y219-C232 VanDerWaalsContact CD1-O 3.22Å; Y219-C232 WeakPolarHBondContact CD1-O 2.95Å |
| 220 | G | 83.6 | Confident | 74.2 | Confident | 19 Ų | 19 | 108 Ų | 108 | 20% | 0.196 | 53% | 0.534 | C | S | . | . | B | Isolated β-bridge | trans | -67.1 | 140.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | S224 Q231 K233 | G220-S224 WeakPolarHBondContact CA-OG 3.32Å; G220-Q231 PolarHBondContact N-O 3.04Å; G220-K233 PolarHBondContact O-N 3.3Å |
| 221 | S | 87.9 | Confident | 76.1 | Confident | 79 Ų | 79 | 103.8 Ų | 103.8 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 173.2 | 172.3 | -63 | 0 | 0 | 0 | 0 | 111 | G223 S224 C255 | S221-G223 PolarHBondContact O-N 3.08Å; S221-S224 PolarHBondContact N-OG 3.48Å; S221-S224 VanDerWaalsContact O-CB 3.31Å; S221-S224 WeakPolarHBondContact O-CB 3.36Å; S221-S224 PolarHBondContact O-N 2.89Å; S221-S224 PolarHBondContact O-OG 3.05Å; S221-C255 WeakPolarHBondContact O-CB 3.27Å |
| 222 | R | 89.5 | Confident | 78 | Confident | 135 Ų | 135 | 98.8 Ų | 98.8 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 131.5 | 171.6 | -175.8 | 178.8 | 167.4 | 179.2 | -6.7 | 109.9 | S224 L236 D246 F247 C255 | R222-S224 VanDerWaalsContact C-N 3.33Å; R222-S224 PolarHBondContact O-N 3.01Å; R222-L236 HydrophobicContact CB-CD2 4.41Å; R222-D246 IonicContact NH2-OD2 2.72Å; R222-F247 HydrophobicContact CG-CZ 4.03Å; R222-C255 CarbonylContact C-O 3.55Å; R222-C255 WeakPolarHBondContact CA-O 3.35Å |
| 223 | G | 87.6 | Confident | 80 | Confident | 20 Ų | 20 | 95.7 Ų | 95.7 | 21% | 0.206 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -4.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S221 C255 | S221-G223 PolarHBondContact O-N 3.08Å; G223-C255 PolarHBondContact N-O 3.49Å |
| 224 | S | 89.1 | Confident | 81.9 | Confident | 33 Ų | 33 | 94.9 Ų | 94.9 | 23% | 0.231 | 47% | 0.472 | C | S | . | . | trans | -75.9 | 145.3 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | G220 S221 R222 V254 C255 | G220-S224 WeakPolarHBondContact CA-OG 3.32Å; S221-S224 PolarHBondContact N-OG 3.48Å; S221-S224 VanDerWaalsContact O-CB 3.31Å; S221-S224 WeakPolarHBondContact O-CB 3.36Å; S221-S224 PolarHBondContact O-N 2.89Å; S221-S224 PolarHBondContact O-OG 3.05Å; R222-S224 VanDerWaalsContact C-N 3.33Å; R222-S224 PolarHBondContact O-N 3.01Å; S224-V254 CarbonylContact O-C 3.49Å; S224-V254 VanDerWaalsContact O-CA 3.3Å; S224-V254 WeakPolarHBondContact O-CA 3.48Å; S224-C255 PolarHBondContact O-N 2.93Å | ||
| 225 | V | 90 | Very high | 83.6 | Confident | 96 Ų | 96 | 89.8 Ų | 89.8 | 58% | 0.582 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -66.1 | 134.2 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 110 | S253 | V225-S253 CarbonylContact C-O 3.55Å; V225-S253 VanDerWaalsContact CA-O 3.28Å; V225-S253 WeakPolarHBondContact CA-O 3.28Å |
| 226 | C | 91.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 87.7 Ų | 87.7 | 1% | 0.014 | 44% | 0.438 | C | S | . | . | trans | -133.2 | 164 | 178.5 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | Q231 C232 C238 S253 | C226-Q231 HydrophobicContact CB-CB 4.14Å; C226-C232 VanDerWaalsContact SG-SG 3.69Å; C226-C238 VanDerWaalsContact C-SG 3.59Å; C226-C238 HydrophobicContact CB-CB 3.99Å; C226-C238 WeakPolarHBondContact CB-SG 3.42Å; C226-C238 WeakPolarHBondContact SG-CA 3.25Å; C226-C238 WeakPolarHBondContact SG-CB 3.41Å; C226-C238 CovalentContact SG-SG 2.03Å; C226-C238 PolarHBondContact SG-SG 3.04Å; C226-S253 PolarHBondContact N-O 3.38Å; C226-S253 WeakPolarHBondContact O-CB 3.38Å; C226-S253 PolarHBondContact O-OG 3.31Å | ||
| 227 | K | 90.2 | Very high | 87.1 | Confident | 177 Ų | 177 | 83.5 Ų | 83.5 | 77% | 0.77 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -115.6 | -13.7 | 170.1 | -60.7 | -172.7 | 176.9 | -171.6 | 0 | 112.8 | ||
| 228 | N | 90.6 | Very high | 88.6 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -165.4 | 162.8 | 177.5 | 55.3 | 61.5 | 0 | 0 | 0 | 110.3 | R230 Q231 C238 | N228-R230 PolarHBondContact O-N 2.93Å; N228-R230 WeakPolarHBondContact OD1-CB 3.48Å; N228-R230 PolarHBondContact OD1-N 2.86Å; N228-Q231 PolarHBondContact O-N 3.49Å; N228-Q231 PolarHBondContact OD1-N 2.93Å; N228-C238 PolarHBondContact N-SG 3.49Å |
| 229 | H | 90.4 | Very high | 89.2 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -55.8 | -25.5 | -179.4 | -58.3 | -83.2 | 0 | 0 | 0 | 114.2 | Q231 C232 C237 C238 D268 C270 | H229-Q231 PolarHBondContact O-N 3.34Å; H229-C232 PolarHBondContact O-N 3.44Å; H229-C232 VanDerWaalsContact O-N 3.14Å; H229-C237 WeakPolarHBondContact ND1-CA 3.39Å; H229-C238 PolarHBondContact CE1-N 2.99Å; H229-C238 PolarHBondContact CE1-O 2.9Å; H229-C238 PolarHBondContact ND1-N 2.51Å; H229-D268 IonicContact CD2-OD2 3.86Å; H229-D268 IonicContact CE1-OD2 3.79Å; H229-D268 IonicContact NE2-OD2 3.48Å; H229-D268 PolarHBondContact NE2-OD2 3.21Å; H229-C270 VanDerWaalsContact CE1-SG 3.52Å; H229-C270 PolarHBondContact ND1-SG 3.03Å; H229-C270 VanDerWaalsContact ND1-SG 3.4Å |
| 230 | R | 90.7 | Very high | 89.3 | Confident | 218 Ų | 218 | 69.3 Ų | 69.3 | 82% | 0.823 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -72.6 | -16.2 | -179.8 | -57 | -177.2 | 177.9 | -177 | 1.5 | 113.4 | Y219 N228 C232 | Y219-R230 WeakPolarHBondContact CD1-O 3.47Å; Y219-R230 VanDerWaalsContact CE1-O 3.26Å; Y219-R230 WeakPolarHBondContact CE1-O 3.33Å; N228-R230 PolarHBondContact O-N 2.93Å; N228-R230 WeakPolarHBondContact OD1-CB 3.48Å; N228-R230 PolarHBondContact OD1-N 2.86Å; R230-C232 VanDerWaalsContact C-N 3.33Å |
| 231 | Q | 90.8 | Very high | 88.6 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 34% | 0.341 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -84.5 | -13.6 | 174.3 | -66.6 | 179.6 | 2 | 0 | 0 | 111.8 | Y219 G220 C226 N228 H229 | Y219-Q231 CarbonylContact C-O 3.54Å; Y219-Q231 WeakPolarHBondContact CA-O 3.33Å; G220-Q231 PolarHBondContact N-O 3.04Å; C226-Q231 HydrophobicContact CB-CB 4.14Å; N228-Q231 PolarHBondContact O-N 3.49Å; N228-Q231 PolarHBondContact OD1-N 2.93Å; H229-Q231 PolarHBondContact O-N 3.34Å |
| 232 | C | 90.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -91.4 | 150.4 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | Y219 C226 H229 R230 L236 C255 | Y219-C232 VanDerWaalsContact CD1-O 3.22Å; Y219-C232 WeakPolarHBondContact CD1-O 2.95Å; C226-C232 VanDerWaalsContact SG-SG 3.69Å; H229-C232 PolarHBondContact O-N 3.44Å; H229-C232 VanDerWaalsContact O-N 3.14Å; R230-C232 VanDerWaalsContact C-N 3.33Å; C232-L236 HydrophobicContact CB-CB 3.7Å; C232-C255 WeakPolarHBondContact CA-SG 3.5Å; C232-C255 HydrophobicContact CB-CB 3.77Å; C232-C255 WeakPolarHBondContact CB-SG 3.34Å; C232-C255 VanDerWaalsContact SG-CA 3.52Å; C232-C255 WeakPolarHBondContact SG-CB 3.14Å; C232-C255 CovalentContact SG-SG 2.04Å; C232-C255 PolarHBondContact SG-SG 2.93Å |
| 233 | K | 90.4 | Very high | 85.9 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 145.3 | 174.5 | -168 | 177.1 | 178 | -173.3 | 0 | 109.7 | G220 G235 L236 | G220-K233 PolarHBondContact O-N 3.3Å; K233-G235 PolarHBondContact O-N 3.4Å; K233-L236 HydrophobicContact CB-CD1 3.88Å; K233-L236 HydrophobicContact CB-CG 4.42Å; K233-L236 VanDerWaalsContact O-CB 3.31Å; K233-L236 WeakPolarHBondContact O-CB 3.42Å; K233-L236 PolarHBondContact O-N 3.08Å |
| 234 | P | 86.6 | Confident | 84.4 | Confident | 108 Ų | 108 | 70.8 Ų | 70.8 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 129.9 | 175.4 | -28.4 | 34.9 | 0 | 0 | 0 | 111.8 | ||
| 235 | G | 87.3 | Confident | 83 | Confident | 34 Ų | 34 | 77 Ų | 77 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 1.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | K233 | K233-G235 PolarHBondContact O-N 3.4Š|
| 236 | L | 90.5 | Very high | 81.5 | Confident | 18 Ų | 18 | 78 Ų | 78 | 9% | 0.094 | 42% | 0.42 | C | S | . | . | trans | -116.2 | 141.6 | 173.9 | -59.1 | 178.4 | 0 | 0 | 0 | 110.7 | R222 C232 K233 C255 V256 Q257 | R222-L236 HydrophobicContact CB-CD2 4.41Å; C232-L236 HydrophobicContact CB-CB 3.7Å; K233-L236 HydrophobicContact CB-CD1 3.88Å; K233-L236 HydrophobicContact CB-CG 4.42Å; K233-L236 VanDerWaalsContact O-CB 3.31Å; K233-L236 WeakPolarHBondContact O-CB 3.42Å; K233-L236 PolarHBondContact O-N 3.08Å; L236-C255 HydrophobicContact CB-CB 4.31Å; L236-C255 HydrophobicContact CD1-CB 4.06Å; L236-V256 CarbonylContact C-O 3.56Å; L236-V256 VanDerWaalsContact CA-O 3.26Å; L236-V256 WeakPolarHBondContact CA-O 3.48Å; L236-Q257 HydrophobicContact CD2-CB 3.42Å; L236-Q257 VanDerWaalsContact CD2-CB 3.42Å; L236-Q257 HydrophobicContact CD2-CG 4.01Å | ||
| 237 | C | 91.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 148.8 | 171.5 | -64.7 | 0 | 0 | 0 | 0 | 111 | H229 H239 C255 V256 C270 Q271 | H229-C237 WeakPolarHBondContact ND1-CA 3.39Å; C237-H239 VanDerWaalsContact CB-CD2 3.45Å; C237-H239 WeakPolarHBondContact CB-CD2 3.46Å; C237-H239 WeakPolarHBondContact CB-NE2 3.14Å; C237-C255 CarbonylContact O-C 3.57Å; C237-C255 VanDerWaalsContact O-CA 3.25Å; C237-C255 WeakPolarHBondContact O-CA 3.47Å; C237-V256 PolarHBondContact N-O 3.49Å; C237-V256 PolarHBondContact O-N 2.98Å; C237-C270 HydrophobicContact CB-CB 4.19Å; C237-C270 WeakPolarHBondContact CB-SG 3.09Å; C237-C270 WeakPolarHBondContact SG-CB 3.24Å; C237-C270 PolarHBondContact SG-O 2.86Å; C237-C270 CovalentContact SG-SG 2.03Å; C237-C270 PolarHBondContact SG-SG 3.11Å; C237-Q271 VanDerWaalsContact SG-CG 3.58Å; C237-Q271 PolarHBondContact SG-N 3.38Å; C237-Q271 VanDerWaalsContact SG-N 3.39Å |
| 238 | C | 92.2 | Very high | 78.3 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 7% | 0.074 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.6 | 168.4 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | C226 N228 H229 S253 | C226-C238 VanDerWaalsContact C-SG 3.59Å; C226-C238 HydrophobicContact CB-CB 3.99Å; C226-C238 WeakPolarHBondContact CB-SG 3.42Å; C226-C238 WeakPolarHBondContact SG-CA 3.25Å; C226-C238 WeakPolarHBondContact SG-CB 3.41Å; C226-C238 CovalentContact SG-SG 2.03Å; C226-C238 PolarHBondContact SG-SG 3.04Å; N228-C238 PolarHBondContact N-SG 3.49Å; H229-C238 PolarHBondContact CE1-N 2.99Å; H229-C238 PolarHBondContact CE1-O 2.9Å; H229-C238 PolarHBondContact ND1-N 2.51Å; C238-S253 WeakPolarHBondContact SG-CB 3.48Å |
| 239 | H | 89.1 | Confident | 76.4 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 20% | 0.199 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136.7 | 179.1 | -79.2 | -69.4 | 0 | 0 | 0 | 110.8 | C237 V242 S253 V254 H258 Q271 | C237-H239 VanDerWaalsContact CB-CD2 3.45Å; C237-H239 WeakPolarHBondContact CB-CD2 3.46Å; C237-H239 WeakPolarHBondContact CB-NE2 3.14Å; H239-V242 HydrophobicContact CB-CG2 3.73Å; H239-S253 CarbonylContact O-C 3.42Å; H239-S253 WeakPolarHBondContact O-CA 3.34Å; H239-V254 PolarHBondContact N-O 3.25Å; H239-V254 VanDerWaalsContact N-O 3.08Å; H239-V254 PolarHBondContact O-N 3.1Å; H239-H258 AromaticContact CD2-NE2 3.34Å; H239-H258 PolarHBondContact CD2-NE2 3.27Å; H239-H258 VanDerWaalsContact CD2-NE2 3.34Å; H239-H258 AromaticContact NE2-NE2 3.51Å; H239-Q271 PolarHBondContact CE1-NE2 3.45Å; H239-Q271 PolarHBondContact NE2-NE2 3.04Å |
| 240 | D | 85.3 | Confident | 74.7 | Confident | 128 Ų | 128 | 79 Ų | 79 | 68% | 0.684 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -79.5 | 142 | 169.7 | -65.1 | -41.7 | 0 | 0 | 0 | 109.9 | V242 S253 | D240-V242 PolarHBondContact O-N 2.71Å; D240-S253 WeakPolarHBondContact OD1-CA 3.47Å; D240-S253 WeakPolarHBondContact OD1-CB 3.41Å; D240-S253 PolarHBondContact OD1-OG 3.43Å |
| 241 | G | 68.7 | Low | 73.6 | Confident | 70 Ų | 70 | 77.1 Ų | 77.1 | 72% | 0.722 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 67.1 | 32.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P243 | G241-P243 WeakPolarHBondContact O-CD 3.01Š|
| 242 | V | 60.8 | Low | 73 | Confident | 45 Ų | 45 | 75.1 Ų | 75.1 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | trans | -63.8 | 122.7 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | H239 D240 L244 V254 V256 | H239-V242 HydrophobicContact CB-CG2 3.73Å; D240-V242 PolarHBondContact O-N 2.71Å; V242-L244 WeakPolarHBondContact O-CD1 3.46Å; V242-L244 WeakPolarHBondContact O-CG 3.07Å; V242-L244 PolarHBondContact O-N 3.08Å; V242-V254 HydrophobicContact CB-CG2 4.2Å; V242-V254 HydrophobicContact CG2-CG2 3.93Å; V242-V256 HydrophobicContact CB-CG2 4.48Å; V242-V256 HydrophobicContact CG1-CG2 4.26Å; V242-V256 HydrophobicContact CG2-CG2 3.66Å | ||
| 243 | P | 58.9 | Low | 72.9 | Confident | 118 Ų | 118 | 75.7 Ų | 75.7 | 77% | 0.766 | 46% | 0.46 | S | S | * | . | trans | -59.2 | 111.5 | 176 | 17.5 | -24 | 0 | 0 | 0 | 108.7 | G241 D245 | G241-P243 WeakPolarHBondContact O-CD 3.01Å; P243-D245 PolarHBondContact O-N 3.39Å | ||
| 244 | L | 56.4 | Low | 72.9 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | trans | -87.8 | 77.4 | -167.2 | -86.1 | 123.5 | 0 | 0 | 0 | 110.2 | V242 D246 F247 | V242-L244 WeakPolarHBondContact O-CD1 3.46Å; V242-L244 WeakPolarHBondContact O-CG 3.07Å; V242-L244 PolarHBondContact O-N 3.08Å; L244-D246 VanDerWaalsContact C-N 3.32Å; L244-F247 WeakPolarHBondContact CB-O 3.45Å; L244-F247 HydrophobicContact CD2-CB 3.45Å; L244-F247 VanDerWaalsContact CD2-CB 3.45Å; L244-F247 WeakPolarHBondContact CD2-O 3.45Å | ||
| 245 | D | 59.4 | Low | 73.2 | Confident | 164 Ų | 164 | 65.5 Ų | 65.5 | 88% | 0.877 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -79.7 | -20.6 | 159.8 | -77.9 | -36.1 | 0 | 0 | 0 | 111.4 | P243 | P243-D245 PolarHBondContact O-N 3.39Š|
| 246 | D | 59.3 | Low | 73.3 | Confident | 117 Ų | 117 | 65.1 Ų | 65.1 | 63% | 0.626 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -110.2 | -8 | -171.1 | -85.3 | -15.2 | 0 | 0 | 0 | 115.7 | R222 L244 | R222-D246 IonicContact NH2-OD2 2.72Å; L244-D246 VanDerWaalsContact C-N 3.32Å |
| 247 | F | 56.6 | Low | 73.4 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 33% | 0.333 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -138.6 | 150.3 | 179.2 | -53.9 | -89.2 | 0 | 0 | 0 | 111.7 | R222 L244 S249 | R222-F247 HydrophobicContact CG-CZ 4.03Å; L244-F247 WeakPolarHBondContact CB-O 3.45Å; L244-F247 HydrophobicContact CD2-CB 3.45Å; L244-F247 VanDerWaalsContact CD2-CB 3.45Å; L244-F247 WeakPolarHBondContact CD2-O 3.45Å; F247-S249 PolarHBondContact O-N 3.46Å |
| 248 | P | 57.5 | Low | 73.3 | Confident | 120 Ų | 120 | 71.9 Ų | 71.9 | 78% | 0.779 | 43% | 0.427 | S | S | * | . | trans | -66.2 | 123.4 | 176.2 | 24.6 | -31.7 | 0 | 0 | 0 | 109.6 | S250 | P248-S250 PolarHBondContact O-N 3Š| ||
| 249 | S | 51 | Low | 73.1 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 74% | 0.741 | 45% | 0.448 | S | S | * | . | trans | -32.8 | 99.1 | 177.3 | -83 | 0 | 0 | 0 | 0 | 112.9 | F247 | F247-S249 PolarHBondContact O-N 3.46Š| ||
| 250 | S | 55.1 | Low | 73.2 | Confident | 41 Ų | 41 | 74.5 Ų | 74.5 | 29% | 0.287 | 45% | 0.447 | S | S | . | . | trans | -108.1 | 121.1 | 163.5 | 67.2 | 0 | 0 | 0 | 0 | 106.5 | P248 G252 | P248-S250 PolarHBondContact O-N 3Å; S250-G252 PolarHBondContact O-N 3.41Å | ||
| 251 | N | 68 | Low | 73.6 | Confident | 179 Ų | 179 | 74.9 Ų | 74.9 | 96% | 0.957 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -68.2 | 71.6 | 175.4 | -68.9 | -15.4 | 0 | 0 | 0 | 109.5 | ||
| 252 | G | 77 | Confident | 74.6 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 32% | 0.32 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -175.4 | 165.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S250 | S250-G252 PolarHBondContact O-N 3.41Š|
| 253 | S | 88.9 | Confident | 76 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 11% | 0.112 | 46% | 0.459 | C | S | . | . | trans | -63.9 | 140.4 | 175.6 | -9.7 | 0 | 0 | 0 | 0 | 110.7 | V225 C226 C238 H239 D240 | V225-S253 CarbonylContact C-O 3.55Å; V225-S253 VanDerWaalsContact CA-O 3.28Å; V225-S253 WeakPolarHBondContact CA-O 3.28Å; C226-S253 PolarHBondContact N-O 3.38Å; C226-S253 WeakPolarHBondContact O-CB 3.38Å; C226-S253 PolarHBondContact O-OG 3.31Å; C238-S253 WeakPolarHBondContact SG-CB 3.48Å; H239-S253 CarbonylContact O-C 3.42Å; H239-S253 WeakPolarHBondContact O-CA 3.34Å; D240-S253 WeakPolarHBondContact OD1-CA 3.47Å; D240-S253 WeakPolarHBondContact OD1-CB 3.41Å; D240-S253 PolarHBondContact OD1-OG 3.43Å | ||
| 254 | V | 90.6 | Very high | 77.5 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.03 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153 | 175.9 | -66 | 0 | 0 | 0 | 0 | 112 | S224 H239 V242 V256 | S224-V254 CarbonylContact O-C 3.49Å; S224-V254 VanDerWaalsContact O-CA 3.3Å; S224-V254 WeakPolarHBondContact O-CA 3.48Å; H239-V254 PolarHBondContact N-O 3.25Å; H239-V254 VanDerWaalsContact N-O 3.08Å; H239-V254 PolarHBondContact O-N 3.1Å; V242-V254 HydrophobicContact CB-CG2 4.2Å; V242-V254 HydrophobicContact CG2-CG2 3.93Å; V254-V256 HydrophobicContact CG2-CG2 4.04Å; V254-V256 PolarHBondContact O-N 2.71Å |
| 255 | C | 92.2 | Very high | 79 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.007 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 115.4 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | S221 R222 G223 S224 C232 L236 C237 | S221-C255 WeakPolarHBondContact O-CB 3.27Å; R222-C255 CarbonylContact C-O 3.55Å; R222-C255 WeakPolarHBondContact CA-O 3.35Å; G223-C255 PolarHBondContact N-O 3.49Å; S224-C255 PolarHBondContact O-N 2.93Å; C232-C255 WeakPolarHBondContact CA-SG 3.5Å; C232-C255 HydrophobicContact CB-CB 3.77Å; C232-C255 WeakPolarHBondContact CB-SG 3.34Å; C232-C255 VanDerWaalsContact SG-CA 3.52Å; C232-C255 WeakPolarHBondContact SG-CB 3.14Å; C232-C255 CovalentContact SG-SG 2.04Å; C232-C255 PolarHBondContact SG-SG 2.93Å; L236-C255 HydrophobicContact CB-CB 4.31Å; L236-C255 HydrophobicContact CD1-CB 4.06Å; C237-C255 CarbonylContact O-C 3.57Å; C237-C255 VanDerWaalsContact O-CA 3.25Å; C237-C255 WeakPolarHBondContact O-CA 3.47Å |
| 256 | V | 90.9 | Very high | 80.5 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 16% | 0.164 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.3 | 179.8 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | L236 C237 V242 V254 | L236-V256 CarbonylContact C-O 3.56Å; L236-V256 VanDerWaalsContact CA-O 3.26Å; L236-V256 WeakPolarHBondContact CA-O 3.48Å; C237-V256 PolarHBondContact N-O 3.49Å; C237-V256 PolarHBondContact O-N 2.98Å; V242-V256 HydrophobicContact CB-CG2 4.48Å; V242-V256 HydrophobicContact CG1-CG2 4.26Å; V242-V256 HydrophobicContact CG2-CG2 3.66Å; V254-V256 HydrophobicContact CG2-CG2 4.04Å; V254-V256 PolarHBondContact O-N 2.71Å |
| 257 | Q | 91.3 | Very high | 81.8 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | trans | -92.6 | 122.7 | 171 | -168.3 | 169.3 | -6.7 | 0 | 0 | 109 | L236 | L236-Q257 HydrophobicContact CD2-CB 3.42Å; L236-Q257 VanDerWaalsContact CD2-CB 3.42Å; L236-Q257 HydrophobicContact CD2-CG 4.01Å | ||
| 258 | H | 89.3 | Confident | 83.2 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 25% | 0.25 | 42% | 0.419 | C | S | . | . | trans | -106.7 | 162.8 | 164.2 | -62.8 | -89.9 | 0 | 0 | 0 | 108.6 | H239 Q271 | H239-H258 AromaticContact CD2-NE2 3.34Å; H239-H258 PolarHBondContact CD2-NE2 3.27Å; H239-H258 VanDerWaalsContact CD2-NE2 3.34Å; H239-H258 AromaticContact NE2-NE2 3.51Å; H258-Q271 CarbonylContact C-O 3.53Å; H258-Q271 HydrophobicContact CB-CB 3.92Å; H258-Q271 HydrophobicContact CB-CG 4.37Å; H258-Q271 WeakPolarHBondContact CB-O 3.4Å | ||
| 259 | S | 89.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | trans | -151 | 54.8 | 176.2 | -61.8 | 0 | 0 | 0 | 0 | 108.1 | K261 | S259-K261 PolarHBondContact O-N 3.03Š| ||
| 260 | L | 91.3 | Very high | 86.5 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -68 | 130.6 | 179.6 | -62.3 | 175.5 | 0 | 0 | 0 | 109.8 | Q264 S265 C266 Q271 E273 C294 | L260-Q264 HydrophobicContact CB-CB 4.2Å; L260-Q264 HydrophobicContact CD2-CB 4.26Å; L260-S265 VanDerWaalsContact CD1-O 3.24Å; L260-S265 WeakPolarHBondContact CD1-O 3.26Å; L260-C266 HydrophobicContact CD1-CB 3.67Å; L260-Q271 WeakPolarHBondContact CB-O 3.4Å; L260-Q271 HydrophobicContact CD1-CB 3.55Å; L260-Q271 HydrophobicContact CG-CB 4.24Å; L260-Q271 WeakPolarHBondContact CG-O 3.33Å; L260-Q271 PolarHBondContact N-O 3Å; L260-E273 PolarHBondContact O-N 3.24Å; L260-C294 VanDerWaalsContact CB-SG 3.51Å |
| 261 | K | 92.4 | Very high | 88.2 | Confident | 137 Ų | 137 | 64 Ų | 64 | 60% | 0.596 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 163.4 | 178.6 | -62.9 | -177.2 | 179.6 | -179 | 0 | 110.8 | S259 G263 Q264 C294 | S259-K261 PolarHBondContact O-N 3.03Å; K261-G263 PolarHBondContact O-N 3.1Å; K261-Q264 HydrophobicContact CB-CG 4.41Å; K261-Q264 VanDerWaalsContact O-CB 3.32Å; K261-Q264 WeakPolarHBondContact O-CB 3.13Å; K261-Q264 PolarHBondContact O-N 3.32Å; K261-C294 WeakPolarHBondContact O-CB 3.32Å |
| 262 | E | 91.1 | Very high | 89.3 | Confident | 160 Ų | 160 | 56 Ų | 56 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 132.4 | 172.1 | -172 | 171.3 | -167.6 | 0 | 0 | 110.6 | L276 | E262-L276 HydrophobicContact CB-CD1 4.21Å; E262-L276 HydrophobicContact CB-CD2 4.35Å |
| 263 | G | 88.6 | Confident | 89.9 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -8.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K261 C294 | K261-G263 PolarHBondContact O-N 3.1Å; G263-C294 WeakPolarHBondContact CA-OXT 3.22Å; G263-C294 PolarHBondContact N-OXT 3.43Å |
| 264 | Q | 90.2 | Very high | 89.8 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -84.3 | 145.2 | 177.9 | -65.3 | -169.2 | -41 | 0 | 0 | 111.9 | L260 K261 V293 C294 | L260-Q264 HydrophobicContact CB-CB 4.2Å; L260-Q264 HydrophobicContact CD2-CB 4.26Å; K261-Q264 HydrophobicContact CB-CG 4.41Å; K261-Q264 VanDerWaalsContact O-CB 3.32Å; K261-Q264 WeakPolarHBondContact O-CB 3.13Å; K261-Q264 PolarHBondContact O-N 3.32Å; Q264-V293 CarbonylContact O-C 3.47Å; Q264-V293 VanDerWaalsContact O-CA 3.26Å; Q264-V293 WeakPolarHBondContact O-CA 3.31Å; Q264-C294 PolarHBondContact O-N 2.99Å |
| 265 | S | 89.1 | Confident | 89.6 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 57% | 0.566 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 134.4 | 178.8 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | L260 Q292 | L260-S265 VanDerWaalsContact CD1-O 3.24Å; L260-S265 WeakPolarHBondContact CD1-O 3.26Å; S265-Q292 CarbonylContact C-O 3.57Å; S265-Q292 WeakPolarHBondContact CA-O 3.4Å |
| 266 | C | 89.6 | Confident | 89.5 | Confident | 6 Ų | 6 | 72 Ų | 72 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.2 | -178.8 | 55 | 0 | 0 | 0 | 0 | 110.9 | L260 C278 Q292 C294 | L260-C266 HydrophobicContact CD1-CB 3.67Å; C266-C278 VanDerWaalsContact C-SG 3.56Å; C266-C278 HydrophobicContact CB-CB 3.95Å; C266-C278 WeakPolarHBondContact CB-SG 3.13Å; C266-C278 WeakPolarHBondContact SG-CA 3.32Å; C266-C278 WeakPolarHBondContact SG-CB 3.46Å; C266-C278 CovalentContact SG-SG 2.02Å; C266-C278 PolarHBondContact SG-SG 2.91Å; C266-Q292 PolarHBondContact N-O 3.45Å; C266-Q292 WeakPolarHBondContact O-CB 3.47Å; C266-C294 VanDerWaalsContact CB-SG 3.56Å; C266-C294 PolarHBondContact SG-N 3.39Å |
| 267 | L | 86.6 | Confident | 89.5 | Confident | 131 Ų | 131 | 75 Ų | 75 | 69% | 0.686 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -105.4 | -33 | 172.3 | -67.1 | 173.7 | 0 | 0 | 0 | 111.6 | ||
| 268 | D | 86.2 | Confident | 89.4 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 34% | 0.342 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -143 | 151.2 | 178.8 | -162.3 | -10.4 | 0 | 0 | 0 | 109.9 | H229 C270 Q271 | H229-D268 IonicContact CD2-OD2 3.86Å; H229-D268 IonicContact CE1-OD2 3.79Å; H229-D268 IonicContact NE2-OD2 3.48Å; H229-D268 PolarHBondContact NE2-OD2 3.21Å; D268-C270 PolarHBondContact O-N 2.91Å; D268-C270 VanDerWaalsContact O-N 3.12Å; D268-Q271 WeakPolarHBondContact O-CB 3.48Å; D268-Q271 PolarHBondContact O-N 3.12Å |
| 269 | S | 89 | Confident | 89.4 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 32% | 0.322 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -62.6 | -19.6 | -179.2 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | Q271 C272 C278 | S269-Q271 PolarHBondContact O-N 3.47Å; S269-C272 PolarHBondContact O-N 2.85Å; S269-C278 PolarHBondContact OG-N 3.44Å |
| 270 | C | 89.5 | Confident | 89.1 | Confident | 33 Ų | 33 | 80.3 Ų | 80.3 | 22% | 0.223 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -65.9 | -18.7 | 173.7 | 72.4 | 0 | 0 | 0 | 0 | 112.6 | H229 C237 D268 | H229-C270 VanDerWaalsContact CE1-SG 3.52Å; H229-C270 PolarHBondContact ND1-SG 3.03Å; H229-C270 VanDerWaalsContact ND1-SG 3.4Å; C237-C270 HydrophobicContact CB-CB 4.19Å; C237-C270 WeakPolarHBondContact CB-SG 3.09Å; C237-C270 WeakPolarHBondContact SG-CB 3.24Å; C237-C270 PolarHBondContact SG-O 2.86Å; C237-C270 CovalentContact SG-SG 2.03Å; C237-C270 PolarHBondContact SG-SG 3.11Å; D268-C270 PolarHBondContact O-N 2.91Å; D268-C270 VanDerWaalsContact O-N 3.12Å |
| 271 | Q | 91 | Very high | 87.9 | Confident | 15 Ų | 15 | 79.6 Ų | 79.6 | 7% | 0.07 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -81.2 | -23.2 | -177 | -61.5 | -178.5 | -31.9 | 0 | 0 | 112.7 | C237 H239 H258 L260 D268 S269 | C237-Q271 VanDerWaalsContact SG-CG 3.58Å; C237-Q271 PolarHBondContact SG-N 3.38Å; C237-Q271 VanDerWaalsContact SG-N 3.39Å; H239-Q271 PolarHBondContact CE1-NE2 3.45Å; H239-Q271 PolarHBondContact NE2-NE2 3.04Å; H258-Q271 CarbonylContact C-O 3.53Å; H258-Q271 HydrophobicContact CB-CB 3.92Å; H258-Q271 HydrophobicContact CB-CG 4.37Å; H258-Q271 WeakPolarHBondContact CB-O 3.4Å; L260-Q271 WeakPolarHBondContact CB-O 3.4Å; L260-Q271 HydrophobicContact CD1-CB 3.55Å; L260-Q271 HydrophobicContact CG-CB 4.24Å; L260-Q271 WeakPolarHBondContact CG-O 3.33Å; L260-Q271 PolarHBondContact N-O 3Å; D268-Q271 WeakPolarHBondContact O-CB 3.48Å; D268-Q271 PolarHBondContact O-N 3.12Å; S269-Q271 PolarHBondContact O-N 3.47Å |
| 272 | C | 91.2 | Very high | 86.2 | Confident | 11 Ų | 11 | 84.8 Ų | 84.8 | 7% | 0.074 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 156.1 | -178.5 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | S269 L276 C294 | S269-C272 PolarHBondContact O-N 2.85Å; C272-L276 HydrophobicContact CB-CB 3.68Å; C272-C294 WeakPolarHBondContact CA-SG 3.36Å; C272-C294 HydrophobicContact CB-CB 3.74Å; C272-C294 WeakPolarHBondContact CB-SG 3.45Å; C272-C294 WeakPolarHBondContact SG-CB 3.3Å; C272-C294 CovalentContact SG-SG 2.04Å; C272-C294 PolarHBondContact SG-SG 3.34Å |
| 273 | E | 90.1 | Very high | 84.2 | Confident | 107 Ų | 107 | 80 Ų | 80 | 50% | 0.5 | 43% | 0.434 | S | S | . | . | trans | -58.6 | 151.5 | 172.1 | -168.2 | 171.4 | -176.4 | 0 | 0 | 111.6 | L260 G275 L276 | L260-E273 PolarHBondContact O-N 3.24Å; E273-G275 PolarHBondContact O-N 3.35Å; E273-L276 HydrophobicContact CB-CD1 4.05Å; E273-L276 WeakPolarHBondContact O-CB 3.42Å; E273-L276 PolarHBondContact O-N 3.42Å | ||
| 274 | L | 85.7 | Confident | 82.2 | Confident | 162 Ų | 162 | 83.3 Ų | 83.3 | 85% | 0.848 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 112.8 | -177.3 | -71 | 173.3 | 0 | 0 | 0 | 111.4 | ||
| 275 | G | 87.5 | Confident | 80.2 | Confident | 75 Ų | 75 | 85 Ų | 85 | 77% | 0.773 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.4 | -13.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E273 | E273-G275 PolarHBondContact O-N 3.35Š|
| 276 | L | 90.2 | Very high | 78 | Confident | 46 Ų | 46 | 89.1 Ų | 89.1 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | trans | -90.1 | 156.4 | 171 | -60.1 | 178.6 | 0 | 0 | 0 | 110.5 | E262 C272 E273 C294 | E262-L276 HydrophobicContact CB-CD1 4.21Å; E262-L276 HydrophobicContact CB-CD2 4.35Å; C272-L276 HydrophobicContact CB-CB 3.68Å; E273-L276 HydrophobicContact CB-CD1 4.05Å; E273-L276 WeakPolarHBondContact O-CB 3.42Å; E273-L276 PolarHBondContact O-N 3.42Å; L276-C294 HydrophobicContact CD1-CB 4.2Å | ||
| 277 | N | 90.2 | Very high | 75.8 | Confident | 89 Ų | 89 | 97.5 Ų | 97.5 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | trans | -126.8 | 145.9 | 171.1 | -60.2 | -62.1 | 0 | 0 | 0 | 108.2 | F279 | N277-F279 HydrophobicContact CB-CD2 4.31Å; N277-F279 HydrophobicContact CB-CE1 4.3Å; N277-F279 HydrophobicContact CB-CE2 3.7Å; N277-F279 HydrophobicContact CB-CZ 3.7Å; N277-F279 WeakPolarHBondContact O-CD2 3.41Å; N277-F279 WeakPolarHBondContact O-CE2 3.31Å; N277-F279 PolarHBondContact O-N 2.99Å | ||
| 278 | C | 89.4 | Confident | 74.3 | Confident | 15 Ų | 15 | 97.7 Ų | 97.7 | 10% | 0.101 | 51% | 0.512 | C | S | . | . | trans | -78.1 | 111.6 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 108.5 | C266 S269 Q292 | C266-C278 VanDerWaalsContact C-SG 3.56Å; C266-C278 HydrophobicContact CB-CB 3.95Å; C266-C278 WeakPolarHBondContact CB-SG 3.13Å; C266-C278 WeakPolarHBondContact SG-CA 3.32Å; C266-C278 WeakPolarHBondContact SG-CB 3.46Å; C266-C278 CovalentContact SG-SG 2.02Å; C266-C278 PolarHBondContact SG-SG 2.91Å; S269-C278 PolarHBondContact OG-N 3.44Å; C278-Q292 VanDerWaalsContact SG-CB 3.52Å | ||
| 279 | F | 88.3 | Confident | 73.1 | Confident | 128 Ų | 128 | 100.2 Ų | 100.2 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | B | Isolated β-bridge | trans | -103.5 | 134.6 | 177.3 | -63.8 | -77.8 | 0 | 0 | 0 | 109.5 | N277 G281 Q292 V293 | N277-F279 HydrophobicContact CB-CD2 4.31Å; N277-F279 HydrophobicContact CB-CE1 4.3Å; N277-F279 HydrophobicContact CB-CE2 3.7Å; N277-F279 HydrophobicContact CB-CZ 3.7Å; N277-F279 WeakPolarHBondContact O-CD2 3.41Å; N277-F279 WeakPolarHBondContact O-CE2 3.31Å; N277-F279 PolarHBondContact O-N 2.99Å; F279-G281 PolarHBondContact O-N 2.72Å; F279-G281 VanDerWaalsContact O-N 3.09Å; F279-Q292 WeakPolarHBondContact O-CA 3.45Å; F279-Q292 WeakPolarHBondContact O-CB 3.48Å; F279-V293 PolarHBondContact N-O 3.45Å; F279-V293 PolarHBondContact O-N 3.49Å |
| 280 | R | 83.4 | Confident | 71.6 | Confident | 202 Ų | 202 | 101.7 Ų | 101.7 | 76% | 0.762 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 117.5 | 166.5 | -76.2 | -176.9 | 179.2 | -179.9 | -1.5 | 107.8 | R282 Q292 | R280-R282 PolarHBondContact O-N 3.2Å; R280-Q292 HydrophobicContact CG-CG 4.02Å |
| 281 | G | 66.5 | Low | 70.6 | Confident | 20 Ų | 20 | 103.7 Ų | 103.7 | 21% | 0.206 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -52 | 128.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F279 S283 | F279-G281 PolarHBondContact O-N 2.72Å; F279-G281 VanDerWaalsContact O-N 3.09Å; G281-S283 PolarHBondContact O-N 3.33Å |
| 282 | R | 56.1 | Low | 70.1 | Confident | 246 Ų | 246 | 105.4 Ų | 105.4 | 93% | 0.928 | 56% | 0.557 | S | S | * | * | trans | -86 | 68.5 | 162.2 | -74.5 | -174.8 | 178.4 | -170.9 | -0.9 | 106.4 | R280 T284 | R280-R282 PolarHBondContact O-N 3.2Å; R282-T284 PolarHBondContact O-N 3.38Å; R282-T284 VanDerWaalsContact O-N 3.12Å | ||
| 283 | S | 50.3 | Low | 69.9 | Low | 59 Ų | 59 | 107.2 Ų | 107.2 | 41% | 0.413 | 57% | 0.567 | S | S | . | * | trans | -75.5 | 103.2 | 169.4 | -14.8 | 0 | 0 | 0 | 0 | 106.8 | G281 V285 D290 | G281-S283 PolarHBondContact O-N 3.33Å; S283-V285 PolarHBondContact O-N 3.2Å; S283-D290 WeakPolarHBondContact CB-OD1 3.48Å; S283-D290 VanDerWaalsContact OG-CG 3.26Å; S283-D290 PolarHBondContact OG-OD1 3.1Å | ||
| 284 | T | 46.6 | Very low | 69.6 | Low | 126 Ų | 126 | 102.8 Ų | 102.8 | 77% | 0.773 | 55% | 0.548 | S | S | * | . | trans | -63 | 122.7 | 155.6 | 48.1 | 0 | 0 | 0 | 0 | 107.3 | R282 | R282-T284 PolarHBondContact O-N 3.38Å; R282-T284 VanDerWaalsContact O-N 3.12Å | ||
| 285 | V | 47.1 | Very low | 68.8 | Low | 124 Ų | 124 | 99.8 Ų | 99.8 | 75% | 0.752 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 91.6 | 118.7 | 167.1 | -163.9 | 0 | 0 | 0 | 0 | 115.9 | S283 | S283-V285 PolarHBondContact O-N 3.2Š|
| 286 | H | 44 | Very low | 67.8 | Low | 167 Ų | 167 | 101.1 Ų | 101.1 | 77% | 0.773 | 52% | 0.521 | S | S | * | . | trans | 84.5 | 95.5 | 160.5 | -103.8 | -67.3 | 0 | 0 | 0 | 120.8 | D288 | H286-D288 PolarHBondContact O-N 2.91Å; H286-D288 VanDerWaalsContact O-N 3.08Å | ||
| 287 | M | 43.3 | Very low | 66.6 | Low | 181 Ų | 181 | 104.2 Ų | 104.2 | 89% | 0.892 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 25.1 | 65 | 136.4 | -60.5 | -67.7 | 140.9 | 0 | 0 | 119 | ||
| 288 | D | 55.5 | Low | 65.2 | Low | 135 Ų | 135 | 105.1 Ų | 105.1 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -153.5 | 154.1 | 146.8 | -117.5 | -39.5 | 0 | 0 | 0 | 106.6 | H286 D290 | H286-D288 PolarHBondContact O-N 2.91Å; H286-D288 VanDerWaalsContact O-N 3.08Å; D288-D290 PolarHBondContact O-N 3.01Å |
| 289 | P | 60 | Low | 63.7 | Low | 118 Ų | 118 | 110.7 Ų | 110.7 | 77% | 0.766 | 57% | 0.567 | S | S | * | * | trans | -62.6 | 107 | -178.9 | 25.3 | -27.8 | 0 | 0 | 0 | 108.4 | ||||
| 290 | D | 56.8 | Low | 62 | Low | 76 Ų | 76 | 109.5 Ų | 109.5 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | trans | -41.5 | 121 | -170.5 | -82.4 | -38.6 | 0 | 0 | 0 | 111.9 | S283 D288 Q292 | S283-D290 WeakPolarHBondContact CB-OD1 3.48Å; S283-D290 VanDerWaalsContact OG-CG 3.26Å; S283-D290 PolarHBondContact OG-OD1 3.1Å; D288-D290 PolarHBondContact O-N 3.01Å; D290-Q292 PolarHBondContact O-N 3.35Å; D290-Q292 VanDerWaalsContact O-N 3.08Å | ||
| 291 | P | 69.3 | Low | 60.5 | Low | 76 Ų | 76 | 102.9 Ų | 102.9 | 49% | 0.494 | 55% | 0.553 | S | S | . | * | trans | -62.5 | 118.9 | 174.7 | 24.9 | -30.6 | 0 | 0 | 0 | 107.6 | ||||
| 292 | Q | 80.3 | Confident | 60.1 | Low | 51 Ų | 51 | 109.3 Ų | 109.3 | 24% | 0.238 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -69 | 141.8 | 167.6 | -36.1 | -177.6 | 18.4 | 0 | 0 | 106.8 | S265 C266 C278 F279 R280 D290 | S265-Q292 CarbonylContact C-O 3.57Å; S265-Q292 WeakPolarHBondContact CA-O 3.4Å; C266-Q292 PolarHBondContact N-O 3.45Å; C266-Q292 WeakPolarHBondContact O-CB 3.47Å; C278-Q292 VanDerWaalsContact SG-CB 3.52Å; F279-Q292 WeakPolarHBondContact O-CA 3.45Å; F279-Q292 WeakPolarHBondContact O-CB 3.48Å; R280-Q292 HydrophobicContact CG-CG 4.02Å; D290-Q292 PolarHBondContact O-N 3.35Å; D290-Q292 VanDerWaalsContact O-N 3.08Å |
| 293 | V | 86.5 | Confident | 60.4 | Low | 48 Ų | 48 | 97.9 Ų | 97.9 | 29% | 0.291 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.8 | -177.8 | -68 | 0 | 0 | 0 | 0 | 110.6 | Q264 F279 | Q264-V293 CarbonylContact O-C 3.47Å; Q264-V293 VanDerWaalsContact O-CA 3.26Å; Q264-V293 WeakPolarHBondContact O-CA 3.31Å; F279-V293 PolarHBondContact N-O 3.45Å; F279-V293 PolarHBondContact O-N 3.49Å |
| 294 | C | 84.9 | Confident | 61.3 | Low | 14 Ų | 14 | 101.5 Ų | 101.5 | 10% | 0.095 | 56% | 0.564 | C | S | . | * | trans | -70.2 | 0 | 158.3 | -55.9 | 0 | 0 | 0 | 0 | 108.7 | L260 K261 G263 Q264 C266 C272 L276 | L260-C294 VanDerWaalsContact CB-SG 3.51Å; K261-C294 WeakPolarHBondContact O-CB 3.32Å; G263-C294 WeakPolarHBondContact CA-OXT 3.22Å; G263-C294 PolarHBondContact N-OXT 3.43Å; Q264-C294 PolarHBondContact O-N 2.99Å; C266-C294 VanDerWaalsContact CB-SG 3.56Å; C266-C294 PolarHBondContact SG-N 3.39Å; C272-C294 WeakPolarHBondContact CA-SG 3.36Å; C272-C294 HydrophobicContact CB-CB 3.74Å; C272-C294 WeakPolarHBondContact CB-SG 3.45Å; C272-C294 WeakPolarHBondContact SG-CB 3.3Å; C272-C294 CovalentContact SG-SG 2.04Å; C272-C294 PolarHBondContact SG-SG 3.34Å; L276-C294 HydrophobicContact CD1-CB 4.2Å |
Retrieved 294 of 294 residues in 152.9 ms
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