| 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 | 48.5 | Very low | 59.7 | Low | 232 Ų | 232 | 162.5 Ų | 162.5 | 100% | 1.143 | 86% | 0.861 | S | S | * | * | 0 | 106.2 | 0 | -76.7 | -66.2 | 149.7 | 0 | 0 | 108.4 | |||||
| 2 | P | 58.6 | Low | 58.9 | Low | 127 Ų | 127 | 165.8 Ų | 165.8 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | trans | -85.3 | 119.6 | -179.7 | 31.8 | -26.9 | 0 | 0 | 0 | 109.2 | ||||
| 3 | R | 60.9 | Low | 58.5 | Low | 252 Ų | 252 | 162.2 Ų | 162.2 | 95% | 0.951 | 85% | 0.851 | S | S | * | * | trans | -111.6 | 122.9 | 166.7 | -86.1 | -168.5 | 172.1 | -142.6 | -0.6 | 109.9 | ||||
| 4 | R | 58.9 | Low | 58.3 | Low | 240 Ų | 240 | 162.9 Ų | 162.9 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | trans | -71.8 | 148.7 | -168.4 | -68.2 | 173.5 | 174.6 | 179.2 | -3.7 | 111.9 | ||||
| 5 | T | 60.9 | Low | 58 | Low | 132 Ų | 132 | 159.7 Ų | 159.7 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | trans | -65.1 | 139.8 | 165.4 | 39 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 6 | C | 67.6 | Low | 57.7 | Low | 126 Ų | 126 | 156.9 Ų | 156.9 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | trans | -137.5 | 99.6 | 151.1 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 7 | S | 58.7 | Low | 58.1 | Low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | trans | -80 | 124.8 | 165.9 | 172.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 8 | V | 66.4 | Low | 57.6 | Low | 131 Ų | 131 | 153.4 Ų | 153.4 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -120.5 | 103.5 | 168.2 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 9 | R | 55.3 | Low | 57.6 | Low | 234 Ų | 234 | 150.1 Ų | 150.1 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -69 | 120.9 | 162.9 | -68 | 175.3 | 170.5 | -173.5 | -3.5 | 107.3 | ||||
| 10 | S | 65.4 | Low | 57.9 | Low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -104.9 | 114.9 | 163.5 | -162.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | A | 55.7 | Low | 57.6 | Low | 87 Ų | 87 | 147.4 Ų | 147.4 | 72% | 0.719 | 83% | 0.828 | S | S | * | * | trans | -84.7 | 126.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | R | 49.5 | Very low | 58.1 | Low | 201 Ų | 201 | 140.2 Ų | 140.2 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | 43.4 | 110.3 | 120.4 | -155.1 | -176.3 | -151.1 | -144.7 | 9.8 | 118.6 | |||||
| 13 | S | 54.4 | Low | 57.9 | Low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -156.4 | 105.8 | 145.3 | -64 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 14 | K | 55 | Low | 57.7 | Low | 171 Ų | 171 | 137.6 Ų | 137.6 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | 41.3 | 92 | 69.9 | -77 | -166 | 178.1 | -168.8 | 0 | 114.5 | |||||
| 15 | S | 54 | Low | 57.9 | Low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -160.1 | 118.5 | 134.1 | 68.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 16 | S | 53.7 | Low | 58.1 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -70.5 | 132.8 | 166.9 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 17 | V | 64 | Low | 58 | Low | 136 Ų | 136 | 126.7 Ų | 126.7 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -150.9 | 140.2 | 155.4 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 18 | P | 49.7 | Very low | 58.6 | Low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | trans | -90.5 | 164.6 | -153.2 | 35.6 | -34 | 0 | 0 | 0 | 115 | P20 | P18-P20 WeakPolarHBondContact O-CD 3.43Š| ||
| 19 | A | 57 | Low | 59.2 | Low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -49.4 | 123.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 20 | P | 64 | Low | 60.5 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | -89 | 101.7 | 150.9 | 30 | -23.8 | 0 | 0 | 0 | 108.9 | P18 A22 | P18-P20 WeakPolarHBondContact O-CD 3.43Å; P20-A22 VanDerWaalsContact C-N 3.29Å; P20-A22 PolarHBondContact O-N 3.41Å | ||
| 21 | S | 51.5 | Low | 61.6 | Low | 127 Ų | 127 | 120.1 Ų | 120.1 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | trans | -64.9 | 91.1 | 160.5 | -62 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 22 | A | 58.5 | Low | 63.1 | Low | 82 Ų | 82 | 118.5 Ų | 118.5 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | trans | -138.8 | 97.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P20 | P20-A22 VanDerWaalsContact C-N 3.29Å; P20-A22 PolarHBondContact O-N 3.41Å | ||
| 23 | R | 54 | Low | 65.2 | Low | 212 Ų | 212 | 114.2 Ų | 114.2 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | 61 | 89.8 | 141.8 | -145.6 | 172.7 | 178 | 167.8 | 4.2 | 116.2 | D25 | R23-D25 IonicContact NE-OD2 2.88Å; R23-D25 PolarHBondContact NE-OD2 2.84Å; R23-D25 PolarHBondContact O-N 3.35Å | ||
| 24 | S | 58 | Low | 67.1 | Low | 111 Ų | 111 | 114.1 Ų | 114.1 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -68.2 | 55.2 | 176.7 | -41.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 25 | D | 63.1 | Low | 69 | Low | 117 Ų | 117 | 109 Ų | 109 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | trans | -97.1 | 14.8 | 173.7 | -66.5 | -28.2 | 0 | 0 | 0 | 112 | R23 | R23-D25 IonicContact NE-OD2 2.88Å; R23-D25 PolarHBondContact NE-OD2 2.84Å; R23-D25 PolarHBondContact O-N 3.35Å | ||
| 26 | S | 63.9 | Low | 71 | Confident | 92 Ų | 92 | 111.2 Ų | 111.2 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | trans | -99.7 | -10.7 | -177.7 | 63.4 | 0 | 0 | 0 | 0 | 114.9 | D28 | S26-D28 VanDerWaalsContact C-N 3.31Å; S26-D28 PolarHBondContact O-N 2.87Å | ||
| 27 | A | 66.4 | Low | 73 | Confident | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.2 | -29.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S30 | A27-S30 PolarHBondContact O-OG 3.43Å |
| 28 | D | 71.1 | Confident | 74.6 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.2 | -29.9 | -177 | -66.6 | -24 | 0 | 0 | 0 | 112.8 | S26 T31 | S26-D28 VanDerWaalsContact C-N 3.31Å; S26-D28 PolarHBondContact O-N 2.87Å; D28-T31 PolarHBondContact O-OG1 3.08Å |
| 29 | K | 79.1 | Confident | 76.9 | Confident | 162 Ų | 162 | 106.2 Ų | 106.2 | 70% | 0.704 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.1 | -38.9 | -178.5 | -75.8 | -179.3 | 175.6 | -178.8 | 0 | 113.3 | T31 A32 D33 | K29-T31 VanDerWaalsContact C-N 3.28Å; K29-T31 PolarHBondContact O-N 3.42Å; K29-A32 PolarHBondContact O-N 2.68Å; K29-D33 PolarHBondContact O-N 3.26Å |
| 30 | S | 83.6 | Confident | 78.8 | Confident | 72 Ų | 72 | 105.6 Ų | 105.6 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.1 | -28.3 | -178.3 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | A27 L34 | A27-S30 PolarHBondContact O-OG 3.43Å; S30-L34 WeakPolarHBondContact O-CB 3.35Å; S30-L34 PolarHBondContact O-N 3.16Å; S30-L34 VanDerWaalsContact O-N 3.07Å |
| 31 | T | 87 | Confident | 80.4 | Confident | 89 Ų | 89 | 104.7 Ų | 104.7 | 55% | 0.546 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.4 | -40 | 176.4 | 65.7 | 0 | 0 | 0 | 0 | 112 | D28 K29 L34 S35 | D28-T31 PolarHBondContact O-OG1 3.08Å; K29-T31 VanDerWaalsContact C-N 3.28Å; K29-T31 PolarHBondContact O-N 3.42Å; T31-L34 PolarHBondContact O-N 3.21Å; T31-S35 PolarHBondContact O-N 2.97Å |
| 32 | A | 88.2 | Confident | 82.6 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.5 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K29 L34 S35 W36 | K29-A32 PolarHBondContact O-N 2.68Å; A32-L34 PolarHBondContact O-N 3.02Å; A32-S35 PolarHBondContact O-N 3.42Å; A32-S35 PolarHBondContact O-OG 2.95Å; A32-W36 PolarHBondContact O-N 3.39Å; A32-W36 VanDerWaalsContact O-N 3.08Å |
| 33 | D | 92.8 | Very high | 84.4 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.6 | -42.2 | 177.8 | -70 | -22.9 | 0 | 0 | 0 | 112 | K29 W36 V37 | K29-D33 PolarHBondContact O-N 3.26Å; D33-W36 PolarHBondContact O-N 3.3Å; D33-V37 WeakPolarHBondContact O-CG2 3.47Å; D33-V37 PolarHBondContact O-N 3.49Å; D33-V37 VanDerWaalsContact O-N 3.1Å |
| 34 | L | 94.1 | Very high | 86.5 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.6 | -40.1 | 178 | -167.1 | 73.1 | 0 | 0 | 0 | 111.8 | S30 T31 A32 W36 V37 C38 | S30-L34 WeakPolarHBondContact O-CB 3.35Å; S30-L34 PolarHBondContact O-N 3.16Å; S30-L34 VanDerWaalsContact O-N 3.07Å; T31-L34 PolarHBondContact O-N 3.21Å; A32-L34 PolarHBondContact O-N 3.02Å; L34-W36 VanDerWaalsContact C-N 3.32Å; L34-W36 PolarHBondContact O-N 3.35Å; L34-V37 PolarHBondContact O-N 3.25Å; L34-C38 PolarHBondContact O-N 2.89Å; L34-C38 PolarHBondContact O-SG 3.49Å; L34-C38 VanDerWaalsContact O-SG 3.4Å |
| 35 | S | 95.4 | Very high | 88.3 | Confident | 65 Ų | 65 | 96.8 Ų | 96.8 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 177 | 73.8 | 0 | 0 | 0 | 0 | 111.9 | T31 A32 V37 C38 E39 | T31-S35 PolarHBondContact O-N 2.97Å; A32-S35 PolarHBondContact O-N 3.42Å; A32-S35 PolarHBondContact O-OG 2.95Å; S35-V37 PolarHBondContact O-N 3.1Å; S35-C38 PolarHBondContact O-N 2.96Å; S35-E39 PolarHBondContact O-N 3.3Å |
| 36 | W | 96.1 | Very high | 89.8 | Confident | 161 Ų | 161 | 92.8 Ų | 92.8 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 177.3 | -177 | 78.9 | 0 | 0 | 0 | 112.3 | A32 D33 L34 C38 E39 L40 | A32-W36 PolarHBondContact O-N 3.39Å; A32-W36 VanDerWaalsContact O-N 3.08Å; D33-W36 PolarHBondContact O-N 3.3Å; L34-W36 VanDerWaalsContact C-N 3.32Å; L34-W36 PolarHBondContact O-N 3.35Å; W36-C38 VanDerWaalsContact C-N 3.35Å; W36-C38 PolarHBondContact O-N 3.02Å; W36-E39 PolarHBondContact O-N 3.1Å; W36-L40 HydrophobicContact CH2-CD2 4.16Å; W36-L40 HydrophobicContact CZ3-CD2 4.29Å; W36-L40 WeakPolarHBondContact O-CB 3.37Å; W36-L40 PolarHBondContact O-N 3.03Å |
| 37 | V | 96.5 | Very high | 91.4 | Very high | 65 Ų | 65 | 96.9 Ų | 96.9 | 39% | 0.394 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | D33 L34 S35 L40 L41 | D33-V37 WeakPolarHBondContact O-CG2 3.47Å; D33-V37 PolarHBondContact O-N 3.49Å; D33-V37 VanDerWaalsContact O-N 3.1Å; L34-V37 PolarHBondContact O-N 3.25Å; S35-V37 PolarHBondContact O-N 3.1Å; V37-L40 PolarHBondContact O-N 3.07Å; V37-L41 HydrophobicContact CG1-CD1 4.09Å; V37-L41 HydrophobicContact CG1-CG 4.46Å; V37-L41 WeakPolarHBondContact O-CG 3.45Å; V37-L41 PolarHBondContact O-N 3.13Å |
| 38 | C | 96.7 | Very high | 92.8 | Very high | 70 Ų | 70 | 99.4 Ų | 99.4 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.1 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | L34 S35 W36 L41 T42 | L34-C38 PolarHBondContact O-N 2.89Å; L34-C38 PolarHBondContact O-SG 3.49Å; L34-C38 VanDerWaalsContact O-SG 3.4Å; S35-C38 PolarHBondContact O-N 2.96Å; W36-C38 VanDerWaalsContact C-N 3.35Å; W36-C38 PolarHBondContact O-N 3.02Å; C38-L41 PolarHBondContact O-N 3.32Å; C38-T42 WeakPolarHBondContact O-CG2 3.44Å; C38-T42 PolarHBondContact O-N 3.42Å; C38-T42 PolarHBondContact O-OG1 3.22Å |
| 39 | E | 97.4 | Very high | 93.9 | Very high | 125 Ų | 125 | 97.7 Ų | 97.7 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -38.3 | 173.8 | -74.2 | -172.9 | 170.4 | 0 | 0 | 112.4 | S35 W36 T42 N43 | S35-E39 PolarHBondContact O-N 3.3Å; W36-E39 PolarHBondContact O-N 3.1Å; E39-T42 WeakPolarHBondContact CA-OG1 3.49Å; E39-T42 PolarHBondContact O-OG1 3.46Å; E39-N43 WeakPolarHBondContact O-CB 3.4Å; E39-N43 PolarHBondContact O-N 3.37Å; E39-N43 VanDerWaalsContact O-N 3.1Å; E39-N43 PolarHBondContact O-ND2 3.5Å |
| 40 | L | 97.7 | Very high | 94.5 | Very high | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.414 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.8 | -171.4 | 70.6 | 0 | 0 | 0 | 111.4 | W36 V37 N43 L44 | W36-L40 HydrophobicContact CH2-CD2 4.16Å; W36-L40 HydrophobicContact CZ3-CD2 4.29Å; W36-L40 WeakPolarHBondContact O-CB 3.37Å; W36-L40 PolarHBondContact O-N 3.03Å; V37-L40 PolarHBondContact O-N 3.07Å; L40-N43 PolarHBondContact O-N 3.15Å; L40-L44 HydrophobicContact CG-CD1 4.37Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 3.05Å |
| 41 | L | 97.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 99.4 Ų | 99.4 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 179.2 | -73.1 | 173.2 | 0 | 0 | 0 | 112 | V37 C38 N43 L44 T45 | V37-L41 HydrophobicContact CG1-CD1 4.09Å; V37-L41 HydrophobicContact CG1-CG 4.46Å; V37-L41 WeakPolarHBondContact O-CG 3.45Å; V37-L41 PolarHBondContact O-N 3.13Å; C38-L41 PolarHBondContact O-N 3.32Å; L41-N43 VanDerWaalsContact C-N 3.35Å; L41-N43 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 3.4Å; L41-T45 PolarHBondContact O-N 3.45Å; L41-T45 PolarHBondContact O-OG1 3.32Å |
| 42 | T | 97.2 | Very high | 95.4 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 177.2 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | C38 E39 T45 G46 | C38-T42 WeakPolarHBondContact O-CG2 3.44Å; C38-T42 PolarHBondContact O-N 3.42Å; C38-T42 PolarHBondContact O-OG1 3.22Å; E39-T42 WeakPolarHBondContact CA-OG1 3.49Å; E39-T42 PolarHBondContact O-OG1 3.46Å; T42-T45 PolarHBondContact O-N 2.96Å; T42-G46 PolarHBondContact O-N 2.94Å |
| 43 | N | 96.9 | Very high | 95.5 | Very high | 109 Ų | 109 | 101 Ų | 101 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 173.5 | -83.2 | -57.8 | 0 | 0 | 0 | 113.1 | E39 L40 L41 G46 R47 | E39-N43 WeakPolarHBondContact O-CB 3.4Å; E39-N43 PolarHBondContact O-N 3.37Å; E39-N43 VanDerWaalsContact O-N 3.1Å; E39-N43 PolarHBondContact O-ND2 3.5Å; L40-N43 PolarHBondContact O-N 3.15Å; L41-N43 VanDerWaalsContact C-N 3.35Å; L41-N43 PolarHBondContact O-N 3.12Å; N43-G46 PolarHBondContact O-N 3.46Å; N43-R47 WeakPolarHBondContact O-CG 3.39Å; N43-R47 PolarHBondContact O-N 2.92Å; N43-R47 VanDerWaalsContact O-N 3.15Å |
| 44 | L | 96.8 | Very high | 95.3 | Very high | 85 Ų | 85 | 99.5 Ų | 99.5 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 177.2 | -78.9 | 169.9 | 0 | 0 | 0 | 111.8 | L40 L41 G46 R47 L48 | L40-L44 HydrophobicContact CG-CD1 4.37Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 3.05Å; L41-L44 PolarHBondContact O-N 3.4Å; L44-G46 VanDerWaalsContact C-N 3.34Å; L44-G46 PolarHBondContact O-N 3.46Å; L44-R47 PolarHBondContact O-N 3.02Å; L44-R47 VanDerWaalsContact O-N 3.12Å; L44-L48 PolarHBondContact O-N 3.26Å |
| 45 | T | 96.4 | Very high | 94.9 | Very high | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | L41 T42 R47 L48 D49 | L41-T45 PolarHBondContact O-N 3.45Å; L41-T45 PolarHBondContact O-OG1 3.32Å; T42-T45 PolarHBondContact O-N 2.96Å; T45-R47 PolarHBondContact O-N 2.99Å; T45-L48 PolarHBondContact O-N 3.09Å; T45-L48 VanDerWaalsContact O-N 3.09Å; T45-D49 PolarHBondContact O-N 3.5Å |
| 46 | G | 95.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 101.1 Ų | 101.1 | 33% | 0.33 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -27.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | T42 N43 L44 R50 | T42-G46 PolarHBondContact O-N 2.94Å; N43-G46 PolarHBondContact O-N 3.46Å; L44-G46 VanDerWaalsContact C-N 3.34Å; L44-G46 PolarHBondContact O-N 3.46Å; G46-R50 WeakPolarHBondContact O-CG 3.35Å |
| 47 | R | 96.4 | Very high | 93.8 | Very high | 179 Ų | 179 | 97.8 Ų | 97.8 | 68% | 0.675 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -76.3 | -38.6 | 172.8 | -72.1 | -178.1 | 69.5 | 176.1 | 2.1 | 112.2 | N43 L44 T45 R50 V51 | N43-R47 WeakPolarHBondContact O-CG 3.39Å; N43-R47 PolarHBondContact O-N 2.92Å; N43-R47 VanDerWaalsContact O-N 3.15Å; L44-R47 PolarHBondContact O-N 3.02Å; L44-R47 VanDerWaalsContact O-N 3.12Å; T45-R47 PolarHBondContact O-N 2.99Å; R47-R50 PolarHBondContact O-N 2.97Å; R47-V51 WeakPolarHBondContact O-CG2 3.41Å; R47-V51 PolarHBondContact O-N 2.99Å |
| 48 | L | 95.7 | Very high | 92.7 | Very high | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | 177.1 | -71.8 | 173.2 | 0 | 0 | 0 | 111.3 | L44 T45 R50 V51 V52 | L44-L48 PolarHBondContact O-N 3.26Å; T45-L48 PolarHBondContact O-N 3.09Å; T45-L48 VanDerWaalsContact O-N 3.09Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 PolarHBondContact O-N 3.23Å; L48-V51 WeakPolarHBondContact O-CB 3.35Å; L48-V51 PolarHBondContact O-N 3Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 3.18Å |
| 49 | D | 94.6 | Very high | 91.6 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 176.7 | -76.7 | -13.9 | 0 | 0 | 0 | 112.1 | T45 V51 V52 L53 | T45-D49 PolarHBondContact O-N 3.5Å; D49-V51 VanDerWaalsContact C-N 3.34Å; D49-V51 PolarHBondContact O-N 3.43Å; D49-V52 PolarHBondContact O-N 2.97Å; D49-L53 WeakPolarHBondContact O-CB 3.33Å; D49-L53 WeakPolarHBondContact O-CG 3.48Å; D49-L53 PolarHBondContact O-N 2.68Å |
| 50 | R | 92.9 | Very high | 90.1 | Very high | 187 Ų | 187 | 103.1 Ų | 103.1 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -38.3 | 174.4 | -68.5 | 176.8 | -165.1 | -138.9 | 3.9 | 112.5 | G46 R47 L48 T54 | G46-R50 WeakPolarHBondContact O-CG 3.35Å; R47-R50 PolarHBondContact O-N 2.97Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-R50 PolarHBondContact O-N 3.23Å; R50-T54 WeakPolarHBondContact O-CB 3.37Å; R50-T54 PolarHBondContact O-N 3.03Å; R50-T54 PolarHBondContact O-OG1 3.33Å |
| 51 | V | 94.2 | Very high | 88.2 | Confident | 83 Ų | 83 | 104.3 Ų | 104.3 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.4 | -42.3 | 177 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | R47 L48 D49 T54 L55 | R47-V51 WeakPolarHBondContact O-CG2 3.41Å; R47-V51 PolarHBondContact O-N 2.99Å; L48-V51 WeakPolarHBondContact O-CB 3.35Å; L48-V51 PolarHBondContact O-N 3Å; D49-V51 VanDerWaalsContact C-N 3.34Å; D49-V51 PolarHBondContact O-N 3.43Å; V51-T54 PolarHBondContact O-N 2.98Å; V51-L55 HydrophobicContact CG1-CD1 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.45Å; V51-L55 PolarHBondContact O-N 3.38Å |
| 52 | V | 94.8 | Very high | 86.1 | Confident | 72 Ų | 72 | 104.7 Ų | 104.7 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -48.8 | 177 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | L48 D49 T54 L55 E56 | L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 3.18Å; D49-V52 PolarHBondContact O-N 2.97Å; V52-T54 VanDerWaalsContact C-N 3.27Å; V52-T54 PolarHBondContact O-N 3.45Å; V52-L55 PolarHBondContact O-N 3.39Å; V52-L55 VanDerWaalsContact O-N 3.09Å; V52-E56 PolarHBondContact O-N 3.14Å |
| 53 | L | 89.2 | Confident | 84 | Confident | 104 Ų | 104 | 106.5 Ų | 106.5 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -35.5 | 176.3 | -70.6 | 172.4 | 0 | 0 | 0 | 112.6 | D49 T57 | D49-L53 WeakPolarHBondContact O-CB 3.33Å; D49-L53 WeakPolarHBondContact O-CG 3.48Å; D49-L53 PolarHBondContact O-N 2.68Å; L53-T57 WeakPolarHBondContact O-CB 3.4Å; L53-T57 WeakPolarHBondContact O-CG2 3.41Å; L53-T57 PolarHBondContact O-N 3.17Å; L53-T57 PolarHBondContact O-OG1 3.02Å |
| 54 | T | 88.7 | Confident | 81.8 | Confident | 78 Ų | 78 | 109 Ų | 109 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.6 | -38.6 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | R50 V51 V52 T57 N58 | R50-T54 WeakPolarHBondContact O-CB 3.37Å; R50-T54 PolarHBondContact O-N 3.03Å; R50-T54 PolarHBondContact O-OG1 3.33Å; V51-T54 PolarHBondContact O-N 2.98Å; V52-T54 VanDerWaalsContact C-N 3.27Å; V52-T54 PolarHBondContact O-N 3.45Å; T54-T57 WeakPolarHBondContact CA-OG1 3.47Å; T54-T57 PolarHBondContact O-OG1 2.78Å; T54-N58 PolarHBondContact O-N 2.99Å; T54-N58 VanDerWaalsContact O-N 3.17Å; T54-N58 PolarHBondContact O-ND2 2.92Å |
| 55 | L | 86.5 | Confident | 79.7 | Confident | 108 Ų | 108 | 116.1 Ų | 116.1 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.8 | -42.5 | 176.4 | -73.1 | 170.2 | 0 | 0 | 0 | 111.5 | V51 V52 N58 L59 | V51-L55 HydrophobicContact CG1-CD1 4.16Å; V51-L55 WeakPolarHBondContact O-CG 3.45Å; V51-L55 PolarHBondContact O-N 3.38Å; V52-L55 PolarHBondContact O-N 3.39Å; V52-L55 VanDerWaalsContact O-N 3.09Å; L55-N58 PolarHBondContact O-N 2.73Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.93Å |
| 56 | E | 86.6 | Confident | 77.5 | Confident | 110 Ų | 110 | 117.9 Ų | 117.9 | 51% | 0.514 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.4 | -41.8 | 177 | -71.6 | -178.7 | 162.1 | 0 | 0 | 112.3 | V52 N58 L59 I60 | V52-E56 PolarHBondContact O-N 3.14Å; E56-N58 VanDerWaalsContact C-N 3.34Å; E56-N58 PolarHBondContact O-N 3.09Å; E56-L59 PolarHBondContact O-N 3.32Å; E56-L59 VanDerWaalsContact O-N 3.16Å; E56-I60 PolarHBondContact O-N 3.27Å |
| 57 | T | 82.4 | Confident | 75.5 | Confident | 91 Ų | 91 | 123.2 Ų | 123.2 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67 | -33.4 | 177.7 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | L53 T54 L59 I60 | L53-T57 WeakPolarHBondContact O-CB 3.4Å; L53-T57 WeakPolarHBondContact O-CG2 3.41Å; L53-T57 PolarHBondContact O-N 3.17Å; L53-T57 PolarHBondContact O-OG1 3.02Å; T54-T57 WeakPolarHBondContact CA-OG1 3.47Å; T54-T57 PolarHBondContact O-OG1 2.78Å; T57-L59 VanDerWaalsContact C-N 3.26Å; T57-L59 PolarHBondContact O-N 3.45Å; T57-I60 PolarHBondContact O-N 3.34Å |
| 58 | N | 73.5 | Confident | 73.2 | Confident | 107 Ų | 107 | 122.7 Ų | 122.7 | 57% | 0.572 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.4 | -17.8 | 174.3 | -75.1 | -53.8 | 0 | 0 | 0 | 113.6 | T54 L55 E56 | T54-N58 PolarHBondContact O-N 2.99Å; T54-N58 VanDerWaalsContact O-N 3.17Å; T54-N58 PolarHBondContact O-ND2 2.92Å; L55-N58 PolarHBondContact O-N 2.73Å; E56-N58 VanDerWaalsContact C-N 3.34Å; E56-N58 PolarHBondContact O-N 3.09Å |
| 59 | L | 72.6 | Confident | 70.9 | Confident | 129 Ų | 129 | 125.5 Ų | 125.5 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -84.4 | -19.7 | 175.8 | -66.7 | 172.9 | 0 | 0 | 0 | 113.1 | L55 E56 T57 T61 | L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.93Å; E56-L59 PolarHBondContact O-N 3.32Å; E56-L59 VanDerWaalsContact O-N 3.16Å; T57-L59 VanDerWaalsContact C-N 3.26Å; T57-L59 PolarHBondContact O-N 3.45Å; L59-T61 VanDerWaalsContact C-N 3.34Å |
| 60 | I | 66.6 | Low | 68.7 | Low | 136 Ų | 136 | 127.1 Ų | 127.1 | 70% | 0.697 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -90 | 5.4 | -175.3 | -59.9 | 168.5 | 0 | 0 | 0 | 112.7 | E56 T57 P62 | E56-I60 PolarHBondContact O-N 3.27Å; T57-I60 PolarHBondContact O-N 3.34Å; I60-P62 WeakPolarHBondContact O-CD 2.89Å |
| 61 | T | 56.9 | Low | 66.8 | Low | 103 Ų | 103 | 120 Ų | 120 | 63% | 0.632 | 63% | 0.628 | S | S | * | * | trans | -100.3 | 73.8 | 160 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | L59 D63 | L59-T61 VanDerWaalsContact C-N 3.34Å; T61-D63 PolarHBondContact O-N 2.93Å | ||
| 62 | P | 53.1 | Low | 64.6 | Low | 106 Ų | 106 | 119.1 Ų | 119.1 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | trans | -79.7 | 60 | 174 | 37.8 | -37.1 | 0 | 0 | 0 | 109.2 | I60 | I60-P62 WeakPolarHBondContact O-CD 2.89Š| ||
| 63 | D | 53.5 | Low | 62.6 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -141.9 | 105.6 | 157.9 | -148.3 | 1.9 | 0 | 0 | 0 | 107.3 | T61 | T61-D63 PolarHBondContact O-N 2.93Š|
| 64 | Q | 50.8 | Low | 60.7 | Low | 161 Ų | 161 | 120.2 Ų | 120.2 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 73.9 | 67.2 | 172.3 | -44.5 | -179.7 | 22.6 | 0 | 0 | 117.8 | ||
| 65 | R | 52.7 | Low | 59 | Low | 235 Ų | 235 | 119.9 Ų | 119.9 | 89% | 0.887 | 63% | 0.63 | S | S | * | * | trans | -175 | 17 | 141.2 | -107.8 | 173.4 | -102.5 | -153 | -0.7 | 118.2 | E67 | R65-E67 VanDerWaalsContact C-N 3.3Å; R65-E67 PolarHBondContact O-N 2.92Å | ||
| 66 | T | 50.2 | Low | 57.7 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 70% | 0.699 | 63% | 0.627 | S | S | * | * | trans | -84.1 | 60.2 | -178.6 | -10.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 67 | E | 53.1 | Low | 56.4 | Low | 145 Ų | 145 | 116.6 Ų | 116.6 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -136.1 | 29.5 | 168.9 | -81.1 | -83.6 | 150.4 | 0 | 0 | 111.2 | R65 | R65-E67 VanDerWaalsContact C-N 3.3Å; R65-E67 PolarHBondContact O-N 2.92Å |
| 68 | E | 48 | Very low | 55.2 | Low | 168 Ų | 168 | 113.7 Ų | 113.7 | 79% | 0.785 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -138.4 | 144.7 | 163.9 | -75.1 | -166.9 | 135.5 | 0 | 0 | 108.4 | ||
| 69 | I | 48.7 | Very low | 54.6 | Low | 173 Ų | 173 | 115.7 Ų | 115.7 | 89% | 0.887 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 87.2 | 33.9 | -179.9 | -32.3 | 161.2 | 0 | 0 | 0 | 116.4 | ||
| 70 | D | 47.7 | Very low | 54.1 | Low | 127 Ų | 127 | 116.8 Ų | 116.8 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -144.6 | 19.8 | 134.3 | -170.8 | 35.4 | 0 | 0 | 0 | 111.1 | N74 | D70-N74 PolarHBondContact O-ND2 3.02Š|
| 71 | S | 52.5 | Low | 53.9 | Low | 37 Ų | 37 | 110.4 Ų | 110.4 | 26% | 0.259 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -84.5 | -21.2 | -171.8 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | Q73 N74 L75 | S71-Q73 PolarHBondContact O-N 2.98Å; S71-N74 PolarHBondContact O-N 2.97Å; S71-L75 WeakPolarHBondContact O-CA 3.48Å; S71-L75 WeakPolarHBondContact O-CB 3.42Å; S71-L75 PolarHBondContact O-N 3.27Å; S71-L75 WeakPolarHBondContact OG-CD1 3.42Å |
| 72 | G | 48.2 | Very low | 54 | Low | 66 Ų | 66 | 108.4 Ų | 108.4 | 68% | 0.68 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -55.6 | -44.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 73 | Q | 52.7 | Low | 54.4 | Low | 165 Ų | 165 | 106.4 Ų | 106.4 | 77% | 0.771 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -91.4 | -33.4 | 177.6 | -63.7 | -166.1 | 1.9 | 0 | 0 | 112.9 | S71 | S71-Q73 PolarHBondContact O-N 2.98Å |
| 74 | N | 49.6 | Very low | 54.7 | Low | 34 Ų | 34 | 102.4 Ų | 102.4 | 18% | 0.182 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 178.4 | -82.3 | -50.8 | 0 | 0 | 0 | 111.8 | D70 S71 V76 I77 E78 R154 | D70-N74 PolarHBondContact O-ND2 3.02Å; S71-N74 PolarHBondContact O-N 2.97Å; N74-V76 VanDerWaalsContact C-N 3.27Å; N74-V76 PolarHBondContact O-N 3.5Å; N74-I77 CarbonylContact O-C 3.47Å; N74-I77 WeakPolarHBondContact O-CA 3.38Å; N74-I77 WeakPolarHBondContact O-CB 3.35Å; N74-I77 PolarHBondContact O-N 3.16Å; N74-E78 VanDerWaalsContact O-CB 3.24Å; N74-E78 WeakPolarHBondContact O-CB 3.03Å; N74-E78 PolarHBondContact O-N 3.3Å; N74-R154 PolarHBondContact OD1-NH2 3.48Å |
| 75 | L | 53.6 | Low | 54.9 | Low | 71 Ų | 71 | 96.8 Ų | 96.8 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -34.5 | -179.4 | -156.7 | 85.6 | 0 | 0 | 0 | 112.4 | S71 I77 E78 K79 | S71-L75 WeakPolarHBondContact O-CA 3.48Å; S71-L75 WeakPolarHBondContact O-CB 3.42Å; S71-L75 PolarHBondContact O-N 3.27Å; S71-L75 WeakPolarHBondContact OG-CD1 3.42Å; L75-I77 VanDerWaalsContact C-N 3.34Å; L75-E78 PolarHBondContact O-N 2.96Å; L75-K79 WeakPolarHBondContact O-CB 3.21Å; L75-K79 WeakPolarHBondContact O-CG 3.46Å; L75-K79 PolarHBondContact O-N 3.29Å |
| 76 | V | 59.2 | Low | 55 | Low | 81 Ų | 81 | 91.2 Ų | 91.2 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 175.2 | 179 | 0 | 0 | 0 | 0 | 111 | N74 R80 | N74-V76 VanDerWaalsContact C-N 3.27Å; N74-V76 PolarHBondContact O-N 3.5Å; V76-R80 WeakPolarHBondContact O-CG 3.49Å |
| 77 | I | 59 | Low | 55 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 35% | 0.349 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74 | -35.9 | 174.7 | -60.1 | 174.1 | 0 | 0 | 0 | 110.1 | N74 L75 R80 F81 L160 | N74-I77 CarbonylContact O-C 3.47Å; N74-I77 WeakPolarHBondContact O-CA 3.38Å; N74-I77 WeakPolarHBondContact O-CB 3.35Å; N74-I77 PolarHBondContact O-N 3.16Å; L75-I77 VanDerWaalsContact C-N 3.34Å; I77-R80 WeakPolarHBondContact O-CB 3.09Å; I77-R80 PolarHBondContact O-N 2.91Å; I77-F81 WeakPolarHBondContact O-CB 3.46Å; I77-F81 PolarHBondContact O-N 2.99Å; I77-L160 HydrophobicContact CG2-CD1 4.37Å |
| 78 | E | 57.5 | Low | 54.7 | Low | 30 Ų | 30 | 93.5 Ų | 93.5 | 14% | 0.14 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.3 | -48.4 | -177.4 | -161.6 | 177.5 | 173.9 | 0 | 0 | 112 | N74 L75 R80 F81 L82 I146 L150 | N74-E78 VanDerWaalsContact O-CB 3.24Å; N74-E78 WeakPolarHBondContact O-CB 3.03Å; N74-E78 PolarHBondContact O-N 3.3Å; L75-E78 PolarHBondContact O-N 2.96Å; E78-R80 PolarHBondContact O-N 3.02Å; E78-F81 WeakPolarHBondContact O-CA 3.33Å; E78-F81 WeakPolarHBondContact O-CB 3.16Å; E78-F81 PolarHBondContact O-N 3.42Å; E78-L82 PolarHBondContact O-N 2.74Å; E78-I146 HydrophobicContact CG-CB 4.32Å; E78-I146 HydrophobicContact CG-CD1 4.49Å; E78-I146 HydrophobicContact CG-CG2 3.35Å; E78-I146 WeakPolarHBondContact OE1-CB 3.45Å; E78-I146 WeakPolarHBondContact OE1-CD1 3.35Å; E78-I146 WeakPolarHBondContact OE1-CG2 3.18Å; E78-L150 HydrophobicContact CG-CD1 4.45Å |
| 79 | K | 60.6 | Low | 54.3 | Low | 148 Ų | 148 | 93.5 Ų | 93.5 | 64% | 0.643 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.9 | -34.2 | 173.6 | -76.1 | -173.4 | 176.3 | 180 | 0 | 111.7 | L75 | L75-K79 WeakPolarHBondContact O-CB 3.21Å; L75-K79 WeakPolarHBondContact O-CG 3.46Å; L75-K79 PolarHBondContact O-N 3.29Å |
| 80 | R | 61.4 | Low | 54.1 | Low | 152 Ų | 152 | 90.1 Ų | 90.1 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -75.7 | -35.4 | 173.9 | -70.3 | 177.5 | 179.4 | 170.4 | -0.8 | 112.7 | V76 I77 E78 S84 | V76-R80 WeakPolarHBondContact O-CG 3.49Å; I77-R80 WeakPolarHBondContact O-CB 3.09Å; I77-R80 PolarHBondContact O-N 2.91Å; E78-R80 PolarHBondContact O-N 3.02Å; R80-S84 PolarHBondContact O-OG 3.45Å |
| 81 | F | 63.1 | Low | 53.9 | Low | 3 Ų | 3 | 91.5 Ų | 91.5 | 1% | 0.013 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 178.9 | -169.6 | -104.7 | 0 | 0 | 0 | 110.4 | I77 E78 A83 S84 F85 F141 R149 L150 V153 L160 | I77-F81 WeakPolarHBondContact O-CB 3.46Å; I77-F81 PolarHBondContact O-N 2.99Å; E78-F81 WeakPolarHBondContact O-CA 3.33Å; E78-F81 WeakPolarHBondContact O-CB 3.16Å; E78-F81 PolarHBondContact O-N 3.42Å; F81-A83 PolarHBondContact O-N 3.09Å; F81-S84 WeakPolarHBondContact O-CB 3.24Å; F81-S84 PolarHBondContact O-N 2.6Å; F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 AromaticContact CD1-CE2 3.8Å; F81-F85 HydrophobicContact CD1-CE2 3.8Å; F81-F85 HydrophobicContact CD2-CE2 4.12Å; F81-F85 HydrophobicContact CE1-CD2 4.21Å; F81-F85 AromaticContact CE1-CE2 3.38Å; F81-F85 HydrophobicContact CE1-CE2 3.38Å; F81-F85 HydrophobicContact CE1-CZ 4.03Å; F81-F85 AromaticContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CE2-CZ 4.13Å; F81-F85 HydrophobicContact CG-CE2 4.16Å; F81-F85 AromaticContact CZ-CE2 3.33Å; F81-F85 HydrophobicContact CZ-CE2 3.33Å; F81-F85 AromaticContact CZ-CZ 3.64Å; F81-F85 HydrophobicContact CZ-CZ 3.64Å; F81-F85 VanDerWaalsContact O-CD2 3.22Å; F81-F85 WeakPolarHBondContact O-CD2 3.43Å; F81-F141 HydrophobicContact CZ-CZ 4.17Å; F81-R149 HydrophobicContact CE1-CB 4.04Å; F81-L150 HydrophobicContact CD1-CD2 4.23Å; F81-L150 HydrophobicContact CD2-CD2 4.21Å; F81-L150 HydrophobicContact CE1-CD2 4.47Å; F81-L150 HydrophobicContact CE2-CD2 4.46Å; F81-L150 HydrophobicContact CG-CD2 4.1Å; F81-V153 HydrophobicContact CE2-CG2 3.92Å; F81-V153 HydrophobicContact CZ-CG2 3.7Å; F81-L160 WeakPolarHBondContact CD2-O 3.41Å |
| 82 | L | 58.6 | Low | 53.1 | Low | 61 Ų | 61 | 93.6 Ų | 93.6 | 32% | 0.319 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 176.4 | -69.9 | 179.3 | 0 | 0 | 0 | 113.1 | E78 S84 F85 V86 I146 | E78-L82 PolarHBondContact O-N 2.74Å; L82-S84 PolarHBondContact O-N 3.17Å; L82-F85 PolarHBondContact O-N 3.35Å; L82-V86 PolarHBondContact O-N 3.33Å; L82-I146 HydrophobicContact CD1-CD1 3.8Å; L82-I146 HydrophobicContact CD2-CD1 3.77Å; L82-I146 HydrophobicContact CD2-CG1 3.88Å; L82-I146 HydrophobicContact CD2-CG2 4.41Å; L82-I146 HydrophobicContact CG-CD1 4.14Å |
| 83 | A | 61.1 | Low | 52.6 | Low | 63 Ų | 63 | 98.1 Ų | 98.1 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -23.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F81 | F81-A83 PolarHBondContact O-N 3.09Å |
| 84 | S | 60.1 | Low | 51.9 | Low | 49 Ų | 49 | 95.6 Ų | 95.6 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.7 | -21 | 179 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | R80 F81 L82 | R80-S84 PolarHBondContact O-OG 3.45Å; F81-S84 WeakPolarHBondContact O-CB 3.24Å; F81-S84 PolarHBondContact O-N 2.6Å; L82-S84 PolarHBondContact O-N 3.17Å |
| 85 | F | 55.3 | Low | 51.5 | Low | 42 Ų | 42 | 102.7 Ų | 102.7 | 18% | 0.184 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -99.8 | -33.7 | -179.7 | -66.2 | -85.1 | 0 | 0 | 0 | 113.4 | F81 L82 N87 T136 F141 R149 P163 | F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 AromaticContact CD1-CE2 3.8Å; F81-F85 HydrophobicContact CD1-CE2 3.8Å; F81-F85 HydrophobicContact CD2-CE2 4.12Å; F81-F85 HydrophobicContact CE1-CD2 4.21Å; F81-F85 AromaticContact CE1-CE2 3.38Å; F81-F85 HydrophobicContact CE1-CE2 3.38Å; F81-F85 HydrophobicContact CE1-CZ 4.03Å; F81-F85 AromaticContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CE2-CE2 3.73Å; F81-F85 HydrophobicContact CE2-CZ 4.13Å; F81-F85 HydrophobicContact CG-CE2 4.16Å; F81-F85 AromaticContact CZ-CE2 3.33Å; F81-F85 HydrophobicContact CZ-CE2 3.33Å; F81-F85 AromaticContact CZ-CZ 3.64Å; F81-F85 HydrophobicContact CZ-CZ 3.64Å; F81-F85 VanDerWaalsContact O-CD2 3.22Å; F81-F85 WeakPolarHBondContact O-CD2 3.43Å; L82-F85 PolarHBondContact O-N 3.35Å; F85-N87 PolarHBondContact O-N 3.42Å; F85-T136 HydrophobicContact CE1-CG2 4.14Å; F85-F141 HydrophobicContact CE1-CD1 4.45Å; F85-F141 AromaticContact CE1-CE1 3.82Å; F85-F141 HydrophobicContact CE1-CE1 3.82Å; F85-F141 AromaticContact CZ-CE1 3.72Å; F85-F141 HydrophobicContact CZ-CE1 3.72Å; F85-F141 HydrophobicContact CZ-CZ 4.43Å; F85-R149 VanDerWaalsContact CE2-NH2 3.32Å; F85-P163 HydrophobicContact CE1-CG 3.95Å; F85-P163 HydrophobicContact CZ-CG 3.78Å |
| 86 | V | 55.7 | Low | 50.8 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 72% | 0.721 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.2 | -22.3 | -175.6 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | L82 | L82-V86 PolarHBondContact O-N 3.33Å |
| 87 | N | 50.3 | Low | 50.2 | Low | 146 Ų | 146 | 105.7 Ų | 105.7 | 78% | 0.781 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 21.4 | -173.5 | -99.2 | -19.6 | 0 | 0 | 0 | 115.7 | F85 | F85-N87 PolarHBondContact O-N 3.42Š|
| 88 | R | 46.3 | Very low | 49.5 | Very low | 160 Ų | 160 | 110.1 Ų | 110.1 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | trans | -110.9 | 78.9 | 169 | -73.9 | -168.7 | 177.8 | -177 | 1.7 | 110.1 | ||||
| 89 | E | 39.2 | Very low | 48.7 | Very low | 168 Ų | 168 | 111.8 Ų | 111.8 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | trans | -47.4 | 134 | 154.6 | -162.5 | 179.9 | -161.7 | 0 | 0 | 108 | I91 | E89-I91 PolarHBondContact O-N 3.01Š| ||
| 90 | P | 44.6 | Very low | 47.8 | Very low | 103 Ų | 103 | 114.9 Ų | 114.9 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | trans | -65.5 | 90 | -179.6 | 26.5 | -32.9 | 0 | 0 | 0 | 108.3 | A92 | P90-A92 PolarHBondContact O-N 3.14Š| ||
| 91 | I | 43.2 | Very low | 47.3 | Very low | 155 Ų | 155 | 119 Ų | 119 | 80% | 0.795 | 65% | 0.651 | S | S | * | * | trans | -60.9 | 102.6 | 161 | -59.2 | 173.1 | 0 | 0 | 0 | 103.7 | E89 L93 | E89-I91 PolarHBondContact O-N 3.01Å; I91-L93 PolarHBondContact O-N 3.3Å; I91-L93 VanDerWaalsContact O-N 3.14Å | ||
| 92 | A | 36.6 | Very low | 46.5 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | -36.5 | 123.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | P90 | P90-A92 PolarHBondContact O-N 3.14Š| ||
| 93 | L | 37.3 | Very low | 45.8 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | trans | -35.6 | 120 | 176.4 | -79.2 | 155.3 | 0 | 0 | 0 | 107.7 | I91 Q95 | I91-L93 PolarHBondContact O-N 3.3Å; I91-L93 VanDerWaalsContact O-N 3.14Å; L93-Q95 PolarHBondContact O-N 3.44Å | ||
| 94 | P | 36.6 | Very low | 45.3 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | -62 | 102.5 | 176.5 | 23.7 | -29.4 | 0 | 0 | 0 | 104.9 | S96 | P94-S96 PolarHBondContact O-N 2.78Š| ||
| 95 | Q | 42 | Very low | 44.8 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -50.4 | 107.1 | 155.9 | -75.4 | -173.4 | -34.1 | 0 | 0 | 102.8 | L93 S97 | L93-Q95 PolarHBondContact O-N 3.44Å; Q95-S97 PolarHBondContact O-N 2.7Å | ||
| 96 | S | 39.2 | Very low | 44.8 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -51.6 | 96.6 | 172.4 | 47.6 | 0 | 0 | 0 | 0 | 105.6 | P94 L98 | P94-S96 PolarHBondContact O-N 2.78Å; S96-L98 PolarHBondContact O-N 3.15Å | ||
| 97 | S | 46.6 | Very low | 44.2 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -67.3 | 94.2 | 172.3 | 57.2 | 0 | 0 | 0 | 0 | 104.2 | Q95 G99 | Q95-S97 PolarHBondContact O-N 2.7Å; S97-G99 PolarHBondContact O-N 3.44Å | ||
| 98 | L | 45.2 | Very low | 44.1 | Very low | 161 Ų | 161 | 150.9 Ų | 150.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -44.2 | 113.1 | 175.6 | -144.3 | 99.2 | 0 | 0 | 0 | 106.9 | S96 K100 | S96-L98 PolarHBondContact O-N 3.15Å; L98-K100 PolarHBondContact O-N 3.43Å; L98-K100 VanDerWaalsContact O-N 3.14Å | ||
| 99 | G | 39.8 | Very low | 44.2 | Very low | 65 Ų | 65 | 149.7 Ų | 149.7 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | -52.1 | 124.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S97 R101 | S97-G99 PolarHBondContact O-N 3.44Å; G99-R101 PolarHBondContact O-N 2.71Å | ||
| 100 | K | 42.5 | Very low | 44.7 | Very low | 212 Ų | 212 | 148.7 Ų | 148.7 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | trans | -62.5 | 72.7 | 166.8 | -71.7 | 176.8 | 176 | 178.8 | 0 | 108.7 | L98 | L98-K100 PolarHBondContact O-N 3.43Å; L98-K100 VanDerWaalsContact O-N 3.14Å | ||
| 101 | R | 50.1 | Low | 45.3 | Very low | 239 Ų | 239 | 147.8 Ų | 147.8 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -85.8 | 114.4 | 167.7 | -160.4 | 174.4 | -173.3 | -177.1 | 0.8 | 106.7 | G99 Q103 | G99-R101 PolarHBondContact O-N 2.71Å; R101-Q103 PolarHBondContact O-N 2.95Å | ||
| 102 | R | 45.9 | Very low | 45.9 | Very low | 242 Ų | 242 | 150.4 Ų | 150.4 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | -45.5 | 134.9 | -178.4 | -69.4 | 177.2 | 174.2 | -177 | -3.4 | 111.3 | ||||
| 103 | Q | 43.1 | Very low | 46.8 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -44 | 133.3 | 171.7 | -60.9 | 165.2 | 3.2 | 0 | 0 | 111.9 | R101 | R101-Q103 PolarHBondContact O-N 2.95Š| ||
| 104 | K | 52.6 | Low | 48.1 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | -151.9 | 107.1 | 133.1 | -160.7 | 168.6 | -177 | 177.1 | 0 | 108.5 | ||||
| 105 | P | 49 | Very low | 49.3 | Very low | 118 Ų | 118 | 156.9 Ų | 156.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -78.5 | 122.7 | -179.8 | 28.9 | -28.3 | 0 | 0 | 0 | 109.4 | ||||
| 106 | H | 55.1 | Low | 50.3 | Low | 159 Ų | 159 | 153.3 Ų | 153.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -112.1 | 141 | 163 | -77.6 | -78.7 | 0 | 0 | 0 | 109.3 | ||||
| 107 | L | 43.2 | Very low | 51.6 | Low | 163 Ų | 163 | 153.8 Ų | 153.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -55.2 | 164.7 | -159.2 | -107.2 | 72.8 | 0 | 0 | 0 | 117.3 | ||||
| 108 | P | 47.2 | Very low | 52.5 | Low | 111 Ų | 111 | 154.1 Ų | 154.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -90.7 | 127.6 | -166.6 | 35.6 | -29.7 | 0 | 0 | 0 | 111.5 | ||||
| 109 | T | 49.5 | Very low | 53.5 | Low | 134 Ų | 134 | 154.3 Ų | 154.3 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -106.7 | 111.8 | 157.6 | -46.5 | 0 | 0 | 0 | 0 | 106.9 | P111 | T109-P111 WeakPolarHBondContact O-CD 3.5Š| ||
| 110 | N | 50 | Low | 54.6 | Low | 147 Ų | 147 | 156.6 Ų | 156.6 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -60 | 122.3 | 170.1 | -94.7 | -70.5 | 0 | 0 | 0 | 109.7 | ||||
| 111 | P | 57.5 | Low | 55.9 | Low | 85 Ų | 85 | 152 Ų | 152 | 55% | 0.552 | 77% | 0.774 | S | S | * | * | trans | -106.3 | 130.3 | 134.4 | 32.6 | -33.2 | 0 | 0 | 0 | 107.4 | T109 L113 | T109-P111 WeakPolarHBondContact O-CD 3.5Å; P111-L113 HydrophobicContact CB-CD1 3.86Å; P111-L113 HydrophobicContact CG-CD1 3.72Å; P111-L113 PolarHBondContact O-N 3.24Å | ||
| 112 | K | 55.2 | Low | 56.8 | Low | 209 Ų | 209 | 144.7 Ų | 144.7 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | -58.5 | 74.2 | 161.8 | -72.8 | 172.2 | 176.1 | 173.7 | 0 | 108 | V114 | K112-V114 PolarHBondContact O-N 2.84Š| ||
| 113 | L | 56.2 | Low | 58.1 | Low | 138 Ų | 138 | 143.9 Ų | 143.9 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | -83.4 | 102.9 | 177.8 | -130 | 88.4 | 0 | 0 | 0 | 105.2 | P111 R115 | P111-L113 HydrophobicContact CB-CD1 3.86Å; P111-L113 HydrophobicContact CG-CD1 3.72Å; P111-L113 PolarHBondContact O-N 3.24Å; L113-R115 PolarHBondContact O-N 2.94Å | ||
| 114 | V | 63.2 | Low | 60.2 | Low | 122 Ų | 122 | 139 Ų | 139 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | trans | -43.5 | 110.8 | 161 | 175 | 0 | 0 | 0 | 0 | 106.3 | K112 T116 | K112-V114 PolarHBondContact O-N 2.84Å; V114-T116 PolarHBondContact O-N 2.98Å | ||
| 115 | R | 62.5 | Low | 62 | Low | 231 Ų | 231 | 131 Ų | 131 | 87% | 0.872 | 70% | 0.697 | S | S | * | * | trans | -74.6 | 77.9 | -177.1 | -165.6 | 178.1 | -176.7 | 174.9 | 0.2 | 106.9 | L113 T117 | L113-R115 PolarHBondContact O-N 2.94Å; R115-T117 VanDerWaalsContact C-N 3.29Å; R115-T117 PolarHBondContact O-N 3.21Å | ||
| 116 | T | 63.6 | Low | 64 | Low | 109 Ų | 109 | 128.3 Ų | 128.3 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | trans | -67.1 | 97.1 | 169.2 | -46.9 | 0 | 0 | 0 | 0 | 105.9 | V114 V118 | V114-T116 PolarHBondContact O-N 2.98Å; T116-V118 PolarHBondContact O-N 3.33Å | ||
| 117 | T | 65.7 | Low | 65.7 | Low | 112 Ų | 112 | 122 Ų | 122 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | trans | -63.8 | 94 | 171.9 | -49.5 | 0 | 0 | 0 | 0 | 106.4 | R115 M119 | R115-T117 VanDerWaalsContact C-N 3.29Å; R115-T117 PolarHBondContact O-N 3.21Å; T117-M119 VanDerWaalsContact C-N 3.29Å; T117-M119 PolarHBondContact O-N 3.3Å | ||
| 118 | V | 66.2 | Low | 68.1 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | trans | -61.6 | 98.9 | 169.8 | 178.5 | 0 | 0 | 0 | 0 | 105.5 | T116 T120 | T116-V118 PolarHBondContact O-N 3.33Å; V118-T120 VanDerWaalsContact C-N 3.32Å; V118-T120 PolarHBondContact O-N 2.83Å | ||
| 119 | M | 65.3 | Low | 70 | Confident | 165 Ų | 165 | 117.2 Ų | 117.2 | 81% | 0.813 | 62% | 0.616 | S | S | * | * | trans | -63.8 | 100.7 | 172.3 | -65.7 | -162.9 | 78 | 0 | 0 | 106.2 | T117 P121 | T117-M119 VanDerWaalsContact C-N 3.29Å; T117-M119 PolarHBondContact O-N 3.3Å; M119-P121 VanDerWaalsContact O-N 3.16Å | ||
| 120 | T | 63.4 | Low | 71.8 | Confident | 114 Ų | 114 | 113.5 Ų | 113.5 | 70% | 0.699 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.4 | 169.1 | 38 | 0 | 0 | 0 | 0 | 106.8 | V118 V122 | V118-T120 VanDerWaalsContact C-N 3.32Å; V118-T120 PolarHBondContact O-N 2.83Å; T120-V122 PolarHBondContact O-N 3.43Å |
| 121 | P | 68.8 | Low | 73.2 | Confident | 114 Ų | 114 | 111 Ų | 111 | 74% | 0.74 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.8 | -177.6 | 21 | -31.7 | 0 | 0 | 0 | 108 | M119 R123 | M119-P121 VanDerWaalsContact O-N 3.16Å; P121-R123 PolarHBondContact O-N 3.3Å |
| 122 | V | 69.6 | Low | 74.2 | Confident | 86 Ų | 86 | 111.8 Ų | 111.8 | 52% | 0.521 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 116.4 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 106.1 | T120 L124 D131 | T120-V122 PolarHBondContact O-N 3.43Å; V122-L124 HydrophobicContact CG1-CD2 4.25Å; V122-L124 PolarHBondContact O-N 3.11Å; V122-D131 HydrophobicContact CG1-CB 3.72Å |
| 123 | R | 74.2 | Confident | 75.8 | Confident | 226 Ų | 226 | 104 Ų | 104 | 85% | 0.853 | 56% | 0.563 | S | S | * | * | trans | -72.6 | 99 | 178.7 | -66.7 | -165.7 | -178.5 | -149.8 | 0.5 | 107.6 | P121 | P121-R123 PolarHBondContact O-N 3.3Š| ||
| 124 | L | 87 | Confident | 77.3 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 45% | 0.45 | 55% | 0.548 | S | S | . | . | trans | -67.3 | 144.2 | 172.1 | -55.2 | -178.2 | 0 | 0 | 0 | 109.8 | V122 I126 D131 | V122-L124 HydrophobicContact CG1-CD2 4.25Å; V122-L124 PolarHBondContact O-N 3.11Å; L124-I126 PolarHBondContact O-N 3.39Å; L124-D131 HydrophobicContact CD2-CB 4.11Å; L124-D131 VanDerWaalsContact CD2-CG 3.44Å; L124-D131 WeakPolarHBondContact CD2-OD1 3.43Å | ||
| 125 | C | 90.7 | Very high | 78.6 | Confident | 2 Ų | 2 | 95 Ų | 95 | 1% | 0.014 | 52% | 0.515 | C | S | . | . | trans | -65.6 | 123.1 | 170.3 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | V127 E129 S130 H133 | C125-V127 PolarHBondContact O-N 3.23Å; C125-E129 WeakPolarHBondContact O-CA 3.5Å; C125-E129 PolarHBondContact O-N 3.31Å; C125-S130 WeakPolarHBondContact CB-O 3.41Å; C125-S130 PolarHBondContact N-O 3.4Å; C125-H133 PolarHBondContact SG-NE2 3.3Å; C125-H133 VanDerWaalsContact SG-NE2 3.36Å | ||
| 126 | I | 89.1 | Confident | 79.8 | Confident | 62 Ų | 62 | 86.7 Ų | 86.7 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.8 | -176.1 | -59 | 169.4 | 0 | 0 | 0 | 112.7 | L124 I135 K156 L158 P165 | L124-I126 PolarHBondContact O-N 3.39Å; I126-I135 HydrophobicContact CB-CD1 4.08Å; I126-I135 HydrophobicContact CD1-CD1 4.22Å; I126-K156 HydrophobicContact CG2-CB 4.05Å; I126-K156 HydrophobicContact CG2-CD 3.52Å; I126-K156 HydrophobicContact CG2-CG 3.65Å; I126-L158 HydrophobicContact CD1-CD2 4.32Å; I126-P165 HydrophobicContact CD1-CG 4.22Å |
| 127 | V | 92.2 | Very high | 81.1 | Confident | 26 Ų | 26 | 86.7 Ų | 86.7 | 16% | 0.158 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -44.4 | -176.1 | -176.4 | 0 | 0 | 0 | 0 | 112.8 | C125 I135 V140 F141 V152 | C125-V127 PolarHBondContact O-N 3.23Å; V127-I135 HydrophobicContact CG2-CD1 4.46Å; V127-I135 HydrophobicContact CG2-CG1 4.22Å; V127-I135 HydrophobicContact CG2-CG2 4.06Å; V127-V140 HydrophobicContact CG1-CG1 4.2Å; V127-F141 HydrophobicContact CB-CB 4.35Å; V127-F141 HydrophobicContact CG1-CB 4.04Å; V127-F141 HydrophobicContact CG1-CD2 4.28Å; V127-F141 HydrophobicContact CG2-CB 4.11Å; V127-F141 HydrophobicContact CG2-CD2 3.8Å; V127-F141 HydrophobicContact CG2-CG 4.2Å; V127-V152 HydrophobicContact CG2-CG1 3.97Å |
| 128 | C | 92.4 | Very high | 82.4 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 24% | 0.243 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 0.6 | -178.6 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | S130 H133 V140 | C128-S130 PolarHBondContact O-N 3.38Å; C128-S130 PolarHBondContact O-OG 3.19Å; C128-S130 PolarHBondContact SG-OG 2.88Å; C128-H133 PolarHBondContact SG-CE1 2.94Å; C128-H133 PolarHBondContact SG-NE2 3.49Å; C128-V140 HydrophobicContact CB-CB 4.25Å; C128-V140 HydrophobicContact CB-CG2 3.92Å |
| 129 | E | 88.4 | Confident | 83.7 | Confident | 138 Ų | 138 | 79.4 Ų | 79.4 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | trans | 58.8 | 10.4 | 178.7 | -59.3 | 178.9 | 178.3 | 0 | 0 | 114.4 | C125 | C125-E129 WeakPolarHBondContact O-CA 3.5Å; C125-E129 PolarHBondContact O-N 3.31Å | ||
| 130 | S | 86.4 | Confident | 85.2 | Confident | 57 Ų | 57 | 74.8 Ų | 74.8 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | trans | -83.7 | 142.3 | 175.6 | -36.4 | 0 | 0 | 0 | 0 | 111 | C125 C128 | C125-S130 WeakPolarHBondContact CB-O 3.41Å; C125-S130 PolarHBondContact N-O 3.4Å; C128-S130 PolarHBondContact O-N 3.38Å; C128-S130 PolarHBondContact O-OG 3.19Å; C128-S130 PolarHBondContact SG-OG 2.88Å | ||
| 131 | D | 78.8 | Confident | 86.7 | Confident | 95 Ų | 95 | 69.4 Ų | 69.4 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 155.5 | 172.6 | -47.8 | 29.6 | 0 | 0 | 0 | 109.8 | V122 L124 | V122-D131 HydrophobicContact CG1-CB 3.72Å; L124-D131 HydrophobicContact CD2-CB 4.11Å; L124-D131 VanDerWaalsContact CD2-CG 3.44Å; L124-D131 WeakPolarHBondContact CD2-OD1 3.43Å |
| 132 | A | 80.5 | Confident | 87.8 | Confident | 100 Ų | 100 | 67.5 Ų | 67.5 | 83% | 0.826 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -0.4 | 164 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 133 | H | 88.6 | Confident | 89.1 | Confident | 47 Ų | 47 | 70 Ų | 70 | 22% | 0.218 | 39% | 0.39 | C | S | . | . | trans | -145.7 | 155 | 174.1 | 67.7 | -84.8 | 0 | 0 | 0 | 116.1 | C125 C128 L137 C138 | C125-H133 PolarHBondContact SG-NE2 3.3Å; C125-H133 VanDerWaalsContact SG-NE2 3.36Å; C128-H133 PolarHBondContact SG-CE1 2.94Å; C128-H133 PolarHBondContact SG-NE2 3.49Å; H133-L137 HydrophobicContact CB-CB 4.24Å; H133-C138 WeakPolarHBondContact CD2-CA 3.49Å; H133-C138 VanDerWaalsContact CD2-CB 3.46Å; H133-C138 WeakPolarHBondContact CD2-CB 3.33Å; H133-C138 VanDerWaalsContact NE2-CA 3.31Å; H133-C138 WeakPolarHBondContact NE2-CA 3.33Å; H133-C138 VanDerWaalsContact NE2-CB 3.26Å; H133-C138 WeakPolarHBondContact NE2-CB 3.38Å; H133-C138 PolarHBondContact NE2-SG 3.2Å | ||
| 134 | S | 87.8 | Confident | 90 | Very high | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | trans | -81.2 | 156.5 | 172.8 | 64.3 | 0 | 0 | 0 | 0 | 110.8 | T136 L137 C138 | S134-T136 PolarHBondContact O-N 3.29Å; S134-T136 PolarHBondContact OG-OG1 3.29Å; S134-L137 CarbonylContact O-C 3.54Å; S134-L137 WeakPolarHBondContact O-CA 3.35Å; S134-L137 PolarHBondContact O-N 2.88Å; S134-C138 PolarHBondContact O-N 3.48Å | ||
| 135 | I | 90.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -52.5 | -33 | 178.5 | -60.8 | 177.2 | 0 | 0 | 0 | 112.4 | I126 V127 L137 C138 F141 L158 P163 | I126-I135 HydrophobicContact CB-CD1 4.08Å; I126-I135 HydrophobicContact CD1-CD1 4.22Å; V127-I135 HydrophobicContact CG2-CD1 4.46Å; V127-I135 HydrophobicContact CG2-CG1 4.22Å; V127-I135 HydrophobicContact CG2-CG2 4.06Å; I135-L137 PolarHBondContact O-N 2.75Å; I135-C138 WeakPolarHBondContact O-CB 3.28Å; I135-C138 PolarHBondContact O-N 2.9Å; I135-F141 HydrophobicContact CG2-CB 4.33Å; I135-F141 HydrophobicContact CG2-CD1 3.57Å; I135-F141 HydrophobicContact CG2-CD2 4.09Å; I135-F141 HydrophobicContact CG2-CE1 3.79Å; I135-F141 HydrophobicContact CG2-CE2 4.28Å; I135-F141 HydrophobicContact CG2-CG 3.72Å; I135-F141 HydrophobicContact CG2-CZ 4.14Å; I135-L158 HydrophobicContact CD1-CD1 3.4Å; I135-L158 HydrophobicContact CD1-CD2 4.17Å; I135-L158 HydrophobicContact CD1-CG 4.44Å; I135-P163 HydrophobicContact CG2-CB 4.44Å |
| 136 | T | 87.1 | Confident | 90.5 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -67.6 | -21.2 | 177.6 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | F85 S134 P163 | F85-T136 HydrophobicContact CE1-CG2 4.14Å; S134-T136 PolarHBondContact O-N 3.29Å; S134-T136 PolarHBondContact OG-OG1 3.29Å; T136-P163 HydrophobicContact CG2-CG 3.76Å |
| 137 | L | 90.5 | Very high | 90.8 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -107.3 | 6.7 | 177.5 | -59.8 | 176.1 | 0 | 0 | 0 | 111.7 | H133 S134 I135 P139 | H133-L137 HydrophobicContact CB-CB 4.24Å; S134-L137 CarbonylContact O-C 3.54Å; S134-L137 WeakPolarHBondContact O-CA 3.35Å; S134-L137 PolarHBondContact O-N 2.88Å; I135-L137 PolarHBondContact O-N 2.75Å; L137-P139 WeakPolarHBondContact O-CD 3.33Å |
| 138 | C | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | trans | -80.6 | 116.3 | -177.4 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | H133 S134 I135 V140 F141 S142 | H133-C138 WeakPolarHBondContact CD2-CA 3.49Å; H133-C138 VanDerWaalsContact CD2-CB 3.46Å; H133-C138 WeakPolarHBondContact CD2-CB 3.33Å; H133-C138 VanDerWaalsContact NE2-CA 3.31Å; H133-C138 WeakPolarHBondContact NE2-CA 3.33Å; H133-C138 VanDerWaalsContact NE2-CB 3.26Å; H133-C138 WeakPolarHBondContact NE2-CB 3.38Å; H133-C138 PolarHBondContact NE2-SG 3.2Å; S134-C138 PolarHBondContact O-N 3.48Å; I135-C138 WeakPolarHBondContact O-CB 3.28Å; I135-C138 PolarHBondContact O-N 2.9Å; C138-V140 VanDerWaalsContact C-N 3.3Å; C138-V140 PolarHBondContact O-N 3.28Å; C138-F141 HydrophobicContact CB-CB 3.78Å; C138-F141 PolarHBondContact O-N 3.22Å; C138-F141 VanDerWaalsContact O-N 3.16Å; C138-F141 PolarHBondContact SG-N 3.02Å; C138-S142 WeakPolarHBondContact O-CB 3.47Å; C138-S142 PolarHBondContact O-N 3.06Å | ||
| 139 | P | 94 | Very high | 91 | Very high | 76 Ų | 76 | 65 Ų | 65 | 49% | 0.494 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | -180 | 25.5 | -33 | 0 | 0 | 0 | 111.3 | L137 F141 S142 N143 | L137-P139 WeakPolarHBondContact O-CD 3.33Å; P139-F141 VanDerWaalsContact C-N 3.28Å; P139-F141 PolarHBondContact O-N 2.96Å; P139-S142 PolarHBondContact O-N 2.89Å; P139-N143 WeakPolarHBondContact O-CB 3.45Å; P139-N143 VanDerWaalsContact O-CG 3.25Å; P139-N143 PolarHBondContact O-N 3.25Å |
| 140 | V | 95 | Very high | 91.2 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | V127 C128 C138 K144 | V127-V140 HydrophobicContact CG1-CG1 4.2Å; C128-V140 HydrophobicContact CB-CB 4.25Å; C128-V140 HydrophobicContact CB-CG2 3.92Å; C138-V140 VanDerWaalsContact C-N 3.3Å; C138-V140 PolarHBondContact O-N 3.28Å; V140-K144 WeakPolarHBondContact O-CG 3.22Å |
| 141 | F | 94.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.5 | -38.5 | 175.9 | -172.7 | -107.6 | 0 | 0 | 0 | 112.3 | F81 F85 V127 I135 C138 P139 K144 R149 V152 V153 | F81-F141 HydrophobicContact CZ-CZ 4.17Å; F85-F141 HydrophobicContact CE1-CD1 4.45Å; F85-F141 AromaticContact CE1-CE1 3.82Å; F85-F141 HydrophobicContact CE1-CE1 3.82Å; F85-F141 AromaticContact CZ-CE1 3.72Å; F85-F141 HydrophobicContact CZ-CE1 3.72Å; F85-F141 HydrophobicContact CZ-CZ 4.43Å; V127-F141 HydrophobicContact CB-CB 4.35Å; V127-F141 HydrophobicContact CG1-CB 4.04Å; V127-F141 HydrophobicContact CG1-CD2 4.28Å; V127-F141 HydrophobicContact CG2-CB 4.11Å; V127-F141 HydrophobicContact CG2-CD2 3.8Å; V127-F141 HydrophobicContact CG2-CG 4.2Å; I135-F141 HydrophobicContact CG2-CB 4.33Å; I135-F141 HydrophobicContact CG2-CD1 3.57Å; I135-F141 HydrophobicContact CG2-CD2 4.09Å; I135-F141 HydrophobicContact CG2-CE1 3.79Å; I135-F141 HydrophobicContact CG2-CE2 4.28Å; I135-F141 HydrophobicContact CG2-CG 3.72Å; I135-F141 HydrophobicContact CG2-CZ 4.14Å; C138-F141 HydrophobicContact CB-CB 3.78Å; C138-F141 PolarHBondContact O-N 3.22Å; C138-F141 VanDerWaalsContact O-N 3.16Å; C138-F141 PolarHBondContact SG-N 3.02Å; P139-F141 VanDerWaalsContact C-N 3.28Å; P139-F141 PolarHBondContact O-N 2.96Å; F141-K144 PolarHBondContact O-N 3.17Å; F141-R149 HydrophobicContact CD2-CG 4.28Å; F141-R149 HydrophobicContact CE1-CG 4.43Å; F141-R149 HydrophobicContact CE2-CB 3.9Å; F141-R149 HydrophobicContact CE2-CG 3.95Å; F141-R149 HydrophobicContact CZ-CB 3.84Å; F141-R149 HydrophobicContact CZ-CG 4.03Å; F141-R149 WeakPolarHBondContact O-CD 3.3Å; F141-R149 WeakPolarHBondContact O-CG 3.39Å; F141-V152 HydrophobicContact CD2-CG1 4.19Å; F141-V152 HydrophobicContact CE2-CB 4.06Å; F141-V152 HydrophobicContact CE2-CG1 3.9Å; F141-V153 HydrophobicContact CZ-CG2 4.21Å |
| 142 | S | 93.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 51% | 0.51 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | -179 | -168 | 0 | 0 | 0 | 0 | 112.3 | C138 P139 K144 | C138-S142 WeakPolarHBondContact O-CB 3.47Å; C138-S142 PolarHBondContact O-N 3.06Å; P139-S142 PolarHBondContact O-N 2.89Å; S142-K144 VanDerWaalsContact C-N 3.33Å |
| 143 | N | 95.3 | Very high | 92.9 | Very high | 138 Ų | 138 | 53.8 Ų | 53.8 | 74% | 0.738 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.2 | -177.6 | -65.8 | -7.5 | 0 | 0 | 0 | 113.6 | P139 | P139-N143 WeakPolarHBondContact O-CB 3.45Å; P139-N143 VanDerWaalsContact O-CG 3.25Å; P139-N143 PolarHBondContact O-N 3.25Å |
| 144 | K | 94.5 | Very high | 93 | Very high | 81 Ų | 81 | 58.6 Ų | 58.6 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -73.5 | 147.4 | 175 | -82.8 | 177.7 | -179 | -159.9 | 0 | 111.3 | V140 F141 S142 D148 R149 | V140-K144 WeakPolarHBondContact O-CG 3.22Å; F141-K144 PolarHBondContact O-N 3.17Å; S142-K144 VanDerWaalsContact C-N 3.33Å; K144-D148 HydrophobicContact CB-CB 4.36Å; K144-D148 HydrophobicContact CD-CB 4.44Å; K144-R149 HydrophobicContact CB-CG 3.74Å; K144-R149 VanDerWaalsContact O-CD 3.28Å; K144-R149 WeakPolarHBondContact O-CD 3.45Å |
| 145 | N | 95.5 | Very high | 93.3 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -59.3 | 160.2 | 168.7 | 68.1 | 44.4 | 0 | 0 | 0 | 110.4 | T147 D148 R149 | N145-T147 VanDerWaalsContact C-N 3.33Å; N145-T147 PolarHBondContact O-N 3.29Å; N145-T147 PolarHBondContact OD1-N 3.18Å; N145-D148 VanDerWaalsContact CG-OD2 3.3Å; N145-D148 PolarHBondContact ND2-OD2 3.22Å; N145-D148 PolarHBondContact O-N 3.43Å; N145-D148 WeakPolarHBondContact OD1-CA 3.42Å; N145-D148 WeakPolarHBondContact OD1-CB 3.43Å; N145-D148 PolarHBondContact OD1-N 3.27Å; N145-D148 PolarHBondContact OD1-OD2 3.04Å; N145-R149 VanDerWaalsContact O-CG 3.3Å; N145-R149 WeakPolarHBondContact O-CG 3.44Å; N145-R149 PolarHBondContact O-N 2.81Å | ||
| 146 | I | 92.3 | Very high | 93.3 | Very high | 46 Ų | 46 | 66.4 Ų | 66.4 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | -170.2 | -52.2 | 164.9 | 0 | 0 | 0 | 111 | E78 L82 D148 R149 L150 | E78-I146 HydrophobicContact CG-CB 4.32Å; E78-I146 HydrophobicContact CG-CD1 4.49Å; E78-I146 HydrophobicContact CG-CG2 3.35Å; E78-I146 WeakPolarHBondContact OE1-CB 3.45Å; E78-I146 WeakPolarHBondContact OE1-CD1 3.35Å; E78-I146 WeakPolarHBondContact OE1-CG2 3.18Å; L82-I146 HydrophobicContact CD1-CD1 3.8Å; L82-I146 HydrophobicContact CD2-CD1 3.77Å; L82-I146 HydrophobicContact CD2-CG1 3.88Å; L82-I146 HydrophobicContact CD2-CG2 4.41Å; L82-I146 HydrophobicContact CG-CD1 4.14Å; I146-D148 VanDerWaalsContact C-N 3.33Å; I146-D148 PolarHBondContact O-N 3.18Å; I146-R149 WeakPolarHBondContact O-CB 3.24Å; I146-R149 PolarHBondContact O-N 3.43Å; I146-L150 HydrophobicContact CG2-CD1 4.5Å; I146-L150 WeakPolarHBondContact O-CG 3.21Å; I146-L150 PolarHBondContact O-N 2.93Å |
| 147 | T | 95 | Very high | 93.4 | Very high | 52 Ų | 52 | 74.1 Ų | 74.1 | 32% | 0.319 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.9 | -46 | 175.5 | -48.6 | 0 | 0 | 0 | 0 | 111.4 | N145 L150 K151 | N145-T147 VanDerWaalsContact C-N 3.33Å; N145-T147 PolarHBondContact O-N 3.29Å; N145-T147 PolarHBondContact OD1-N 3.18Å; T147-L150 PolarHBondContact O-N 3.37Å; T147-K151 WeakPolarHBondContact O-CG 3.47Å; T147-K151 PolarHBondContact O-N 3.47Å |
| 148 | D | 95.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 69.4 Ų | 69.4 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.8 | -34.1 | 179 | -68.8 | -24.2 | 0 | 0 | 0 | 112 | K144 N145 I146 L150 K151 V152 | K144-D148 HydrophobicContact CB-CB 4.36Å; K144-D148 HydrophobicContact CD-CB 4.44Å; N145-D148 VanDerWaalsContact CG-OD2 3.3Å; N145-D148 PolarHBondContact ND2-OD2 3.22Å; N145-D148 PolarHBondContact O-N 3.43Å; N145-D148 WeakPolarHBondContact OD1-CA 3.42Å; N145-D148 WeakPolarHBondContact OD1-CB 3.43Å; N145-D148 PolarHBondContact OD1-N 3.27Å; N145-D148 PolarHBondContact OD1-OD2 3.04Å; I146-D148 VanDerWaalsContact C-N 3.33Å; I146-D148 PolarHBondContact O-N 3.18Å; D148-L150 VanDerWaalsContact C-N 3.31Å; D148-L150 PolarHBondContact O-N 3.02Å; D148-K151 PolarHBondContact O-N 3.32Å; D148-K151 IonicContact OD1-NZ 3.41Å; D148-K151 PolarHBondContact OD1-NZ 3.4Å; D148-V152 WeakPolarHBondContact O-CG2 3.5Å; D148-V152 PolarHBondContact O-N 3.08Å |
| 149 | R | 94 | Very high | 93.2 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 170.8 | -69.8 | 173.3 | 68.8 | 175.4 | 3.3 | 111 | F81 F85 F141 K144 N145 I146 V152 V153 | F81-R149 HydrophobicContact CE1-CB 4.04Å; F85-R149 VanDerWaalsContact CE2-NH2 3.32Å; F141-R149 HydrophobicContact CD2-CG 4.28Å; F141-R149 HydrophobicContact CE1-CG 4.43Å; F141-R149 HydrophobicContact CE2-CB 3.9Å; F141-R149 HydrophobicContact CE2-CG 3.95Å; F141-R149 HydrophobicContact CZ-CB 3.84Å; F141-R149 HydrophobicContact CZ-CG 4.03Å; F141-R149 WeakPolarHBondContact O-CD 3.3Å; F141-R149 WeakPolarHBondContact O-CG 3.39Å; K144-R149 HydrophobicContact CB-CG 3.74Å; K144-R149 VanDerWaalsContact O-CD 3.28Å; K144-R149 WeakPolarHBondContact O-CD 3.45Å; N145-R149 VanDerWaalsContact O-CG 3.3Å; N145-R149 WeakPolarHBondContact O-CG 3.44Å; N145-R149 PolarHBondContact O-N 2.81Å; I146-R149 WeakPolarHBondContact O-CB 3.24Å; I146-R149 PolarHBondContact O-N 3.43Å; R149-V152 PolarHBondContact O-N 3.47Å; R149-V153 VanDerWaalsContact O-CG2 3.24Å; R149-V153 WeakPolarHBondContact O-CG2 3.41Å; R149-V153 PolarHBondContact O-N 3.33Å |
| 150 | L | 93 | Very high | 92.8 | Very high | 10 Ų | 10 | 68.8 Ų | 68.8 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 174.8 | -71.7 | 175.3 | 0 | 0 | 0 | 112 | E78 F81 I146 T147 D148 V152 V153 R154 L160 | E78-L150 HydrophobicContact CG-CD1 4.45Å; F81-L150 HydrophobicContact CD1-CD2 4.23Å; F81-L150 HydrophobicContact CD2-CD2 4.21Å; F81-L150 HydrophobicContact CE1-CD2 4.47Å; F81-L150 HydrophobicContact CE2-CD2 4.46Å; F81-L150 HydrophobicContact CG-CD2 4.1Å; I146-L150 HydrophobicContact CG2-CD1 4.5Å; I146-L150 WeakPolarHBondContact O-CG 3.21Å; I146-L150 PolarHBondContact O-N 2.93Å; T147-L150 PolarHBondContact O-N 3.37Å; D148-L150 VanDerWaalsContact C-N 3.31Å; D148-L150 PolarHBondContact O-N 3.02Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 3.22Å; L150-V153 PolarHBondContact O-N 2.89Å; L150-R154 WeakPolarHBondContact O-CB 3.4Å; L150-R154 WeakPolarHBondContact O-CG 3.49Å; L150-R154 PolarHBondContact O-N 3.41Å; L150-L160 HydrophobicContact CD2-CD2 3.98Å |
| 151 | K | 95.4 | Very high | 92.3 | Very high | 121 Ų | 121 | 68.6 Ų | 68.6 | 53% | 0.526 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.5 | -46.7 | 172.5 | -72.4 | 175.8 | -167.3 | 157.4 | 0 | 111.1 | T147 D148 V153 R154 H155 | T147-K151 WeakPolarHBondContact O-CG 3.47Å; T147-K151 PolarHBondContact O-N 3.47Å; D148-K151 PolarHBondContact O-N 3.32Å; D148-K151 IonicContact OD1-NZ 3.41Å; D148-K151 PolarHBondContact OD1-NZ 3.4Å; K151-V153 PolarHBondContact O-N 3.44Å; K151-R154 PolarHBondContact O-N 3.19Å; K151-H155 WeakPolarHBondContact O-CB 3.33Å; K151-H155 PolarHBondContact O-N 3.16Å |
| 152 | V | 93 | Very high | 91.8 | Very high | 23 Ų | 23 | 69.3 Ų | 69.3 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.6 | 170 | 0 | 0 | 0 | 0 | 111.4 | V127 F141 D148 R149 L150 R154 H155 K156 | V127-V152 HydrophobicContact CG2-CG1 3.97Å; F141-V152 HydrophobicContact CD2-CG1 4.19Å; F141-V152 HydrophobicContact CE2-CB 4.06Å; F141-V152 HydrophobicContact CE2-CG1 3.9Å; D148-V152 WeakPolarHBondContact O-CG2 3.5Å; D148-V152 PolarHBondContact O-N 3.08Å; R149-V152 PolarHBondContact O-N 3.47Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 3.22Å; V152-R154 PolarHBondContact O-N 3.35Å; V152-H155 PolarHBondContact O-N 3.01Å; V152-K156 HydrophobicContact CG1-CG 4.37Å; V152-K156 WeakPolarHBondContact O-CB 3.31Å; V152-K156 WeakPolarHBondContact O-CG 3.46Å; V152-K156 PolarHBondContact O-N 2.88Å |
| 153 | V | 91.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 178.4 | 169 | 0 | 0 | 0 | 0 | 111.6 | F81 F141 R149 L150 K151 R157 L158 L160 | F81-V153 HydrophobicContact CE2-CG2 3.92Å; F81-V153 HydrophobicContact CZ-CG2 3.7Å; F141-V153 HydrophobicContact CZ-CG2 4.21Å; R149-V153 VanDerWaalsContact O-CG2 3.24Å; R149-V153 WeakPolarHBondContact O-CG2 3.41Å; R149-V153 PolarHBondContact O-N 3.33Å; L150-V153 PolarHBondContact O-N 2.89Å; K151-V153 PolarHBondContact O-N 3.44Å; V153-R157 WeakPolarHBondContact O-CA 3.36Å; V153-R157 PolarHBondContact O-N 2.98Å; V153-R157 VanDerWaalsContact O-N 3.13Å; V153-L158 HydrophobicContact CG1-CB 4.12Å; V153-L158 WeakPolarHBondContact CG1-O 3.26Å; V153-L158 HydrophobicContact CG2-CD1 4.46Å; V153-L158 PolarHBondContact O-N 3.35Å; V153-L160 HydrophobicContact CG1-CD2 3.58Å; V153-L160 HydrophobicContact CG1-CG 4.14Å |
| 154 | R | 91.3 | Very high | 90.6 | Very high | 148 Ų | 148 | 66.3 Ų | 66.3 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67 | -49.6 | 176.6 | -70.7 | 176.2 | -177.7 | 173.5 | 2.9 | 111.4 | N74 L150 K151 V152 K156 R157 | N74-R154 PolarHBondContact OD1-NH2 3.48Å; L150-R154 WeakPolarHBondContact O-CB 3.4Å; L150-R154 WeakPolarHBondContact O-CG 3.49Å; L150-R154 PolarHBondContact O-N 3.41Å; K151-R154 PolarHBondContact O-N 3.19Å; V152-R154 PolarHBondContact O-N 3.35Å; R154-K156 PolarHBondContact O-N 3.32Å; R154-R157 PolarHBondContact O-N 3.47Å |
| 155 | H | 93 | Very high | 89.9 | Confident | 148 Ų | 148 | 65.1 Ų | 65.1 | 69% | 0.685 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | -177.1 | -178.8 | 71.9 | 0 | 0 | 0 | 112 | K151 V152 R157 | K151-H155 WeakPolarHBondContact O-CB 3.33Å; K151-H155 PolarHBondContact O-N 3.16Å; V152-H155 PolarHBondContact O-N 3.01Å; H155-R157 VanDerWaalsContact C-N 3.27Å; H155-R157 PolarHBondContact O-N 2.73Å |
| 156 | K | 90.1 | Very high | 89.2 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 8.8 | 178.7 | -58.3 | -67.4 | -166.6 | -179.5 | 0 | 113.2 | I126 V152 R154 L158 | I126-K156 HydrophobicContact CG2-CB 4.05Å; I126-K156 HydrophobicContact CG2-CD 3.52Å; I126-K156 HydrophobicContact CG2-CG 3.65Å; V152-K156 HydrophobicContact CG1-CG 4.37Å; V152-K156 WeakPolarHBondContact O-CB 3.31Å; V152-K156 WeakPolarHBondContact O-CG 3.46Å; V152-K156 PolarHBondContact O-N 2.88Å; R154-K156 PolarHBondContact O-N 3.32Å; K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 HydrophobicContact CB-CD1 4.27Å; K156-L158 HydrophobicContact CB-CD2 4.34Å; K156-L158 HydrophobicContact CB-CG 3.95Å; K156-L158 PolarHBondContact O-N 3.42Å |
| 157 | R | 90.7 | Very high | 88.8 | Confident | 218 Ų | 218 | 67.9 Ų | 67.9 | 82% | 0.823 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 44.1 | 178.9 | -57.7 | -175.2 | 178.8 | -154.9 | 0 | 113.4 | V153 R154 H155 | V153-R157 WeakPolarHBondContact O-CA 3.36Å; V153-R157 PolarHBondContact O-N 2.98Å; V153-R157 VanDerWaalsContact O-N 3.13Å; R154-R157 PolarHBondContact O-N 3.47Å; H155-R157 VanDerWaalsContact C-N 3.27Å; H155-R157 PolarHBondContact O-N 2.73Å |
| 158 | L | 91 | Very high | 88 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | trans | -83 | 149.4 | 178.8 | -54.6 | 174.4 | 0 | 0 | 0 | 110.1 | I126 I135 V153 K156 L160 P165 | I126-L158 HydrophobicContact CD1-CD2 4.32Å; I135-L158 HydrophobicContact CD1-CD1 3.4Å; I135-L158 HydrophobicContact CD1-CD2 4.17Å; I135-L158 HydrophobicContact CD1-CG 4.44Å; V153-L158 HydrophobicContact CG1-CB 4.12Å; V153-L158 WeakPolarHBondContact CG1-O 3.26Å; V153-L158 HydrophobicContact CG2-CD1 4.46Å; V153-L158 PolarHBondContact O-N 3.35Å; K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 HydrophobicContact CB-CD1 4.27Å; K156-L158 HydrophobicContact CB-CD2 4.34Å; K156-L158 HydrophobicContact CB-CG 3.95Å; K156-L158 PolarHBondContact O-N 3.42Å; L158-L160 PolarHBondContact O-N 3.13Å; L158-P165 HydrophobicContact CD2-CB 3.91Å | ||
| 159 | C | 88 | Confident | 87.1 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | trans | -66.9 | 123.9 | 171.5 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | R161 C162 P163 K164 H167 | C159-R161 PolarHBondContact O-N 3.17Å; C159-R161 PolarHBondContact SG-N 3.3Å; C159-C162 PolarHBondContact O-N 2.87Å; C159-P163 WeakPolarHBondContact O-CA 3.41Å; C159-K164 PolarHBondContact N-O 3.37Å; C159-K164 VanDerWaalsContact N-O 3.07Å; C159-H167 VanDerWaalsContact CB-CE1 3.43Å; C159-H167 WeakPolarHBondContact CB-CE1 3.29Å; C159-H167 VanDerWaalsContact CB-NE2 3.29Å; C159-H167 WeakPolarHBondContact CB-NE2 3.3Å; C159-H167 PolarHBondContact SG-NE2 3.49Å | ||
| 160 | L | 85.3 | Confident | 86.3 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 32% | 0.319 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.3 | 177.6 | -71.2 | 164.6 | 0 | 0 | 0 | 113.8 | I77 F81 L150 V153 L158 | I77-L160 HydrophobicContact CG2-CD1 4.37Å; F81-L160 WeakPolarHBondContact CD2-O 3.41Å; L150-L160 HydrophobicContact CD2-CD2 3.98Å; V153-L160 HydrophobicContact CG1-CD2 3.58Å; V153-L160 HydrophobicContact CG1-CG 4.14Å; L158-L160 PolarHBondContact O-N 3.13Å |
| 161 | R | 84.5 | Confident | 85.6 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 24% | 0.242 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -32.1 | -178.2 | -77.8 | -167.9 | 174.3 | -163 | 8 | 115.5 | C159 | C159-R161 PolarHBondContact O-N 3.17Å; C159-R161 PolarHBondContact SG-N 3.3Å |
| 162 | C | 84.9 | Confident | 85.1 | Confident | 16 Ų | 16 | 78.7 Ų | 78.7 | 11% | 0.108 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -134.4 | 24.6 | -171.2 | 70.1 | 0 | 0 | 0 | 0 | 114.5 | C159 K164 H167 C172 | C159-C162 PolarHBondContact O-N 2.87Å; C162-K164 WeakPolarHBondContact O-CG 3.47Å; C162-K164 PolarHBondContact O-N 3.49Å; C162-H167 PolarHBondContact SG-CE1 3.32Å; C162-H167 PolarHBondContact SG-NE2 2.99Å; C162-C172 PolarHBondContact SG-SG 3.21Å |
| 163 | P | 81.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 87 Ų | 87 | 8% | 0.078 | 40% | 0.404 | C | S | . | . | trans | 16.8 | 32.8 | -162.5 | 5.8 | -30.5 | 0 | 0 | 0 | 118.5 | F85 I135 T136 C159 | F85-P163 HydrophobicContact CE1-CG 3.95Å; F85-P163 HydrophobicContact CZ-CG 3.78Å; I135-P163 HydrophobicContact CG2-CB 4.44Å; T136-P163 HydrophobicContact CG2-CG 3.76Å; C159-P163 WeakPolarHBondContact O-CA 3.41Å | ||
| 164 | K | 83 | Confident | 83.6 | Confident | 136 Ų | 136 | 88.9 Ų | 88.9 | 59% | 0.591 | 42% | 0.417 | S | S | * | . | trans | -92.4 | 140.2 | 177.7 | -78.6 | 172.7 | -175.2 | -173 | 0 | 108.7 | C159 C162 | C159-K164 PolarHBondContact N-O 3.37Å; C159-K164 VanDerWaalsContact N-O 3.07Å; C162-K164 WeakPolarHBondContact O-CG 3.47Å; C162-K164 PolarHBondContact O-N 3.49Å | ||
| 165 | P | 79.5 | Confident | 82.5 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 37% | 0.37 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -63.4 | 170.1 | 168.1 | 28.6 | -33.4 | 0 | 0 | 0 | 110 | I126 L158 | I126-P165 HydrophobicContact CD1-CG 4.22Å; L158-P165 HydrophobicContact CD2-CB 3.91Å |
| 166 | V | 80.3 | Confident | 81.1 | Confident | 144 Ų | 144 | 88.4 Ų | 88.4 | 87% | 0.873 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 91.9 | -14.2 | 162.2 | -169 | 0 | 0 | 0 | 0 | 117.4 | ||
| 167 | H | 83.9 | Confident | 79.6 | Confident | 46 Ų | 46 | 90.9 Ų | 90.9 | 21% | 0.213 | 42% | 0.422 | C | S | . | . | trans | -139.5 | 150.1 | -177 | 68.2 | -72.7 | 0 | 0 | 0 | 114.8 | C159 C162 D171 C172 | C159-H167 VanDerWaalsContact CB-CE1 3.43Å; C159-H167 WeakPolarHBondContact CB-CE1 3.29Å; C159-H167 VanDerWaalsContact CB-NE2 3.29Å; C159-H167 WeakPolarHBondContact CB-NE2 3.3Å; C159-H167 PolarHBondContact SG-NE2 3.49Å; C162-H167 PolarHBondContact SG-CE1 3.32Å; C162-H167 PolarHBondContact SG-NE2 2.99Å; H167-D171 HydrophobicContact CB-CB 4.24Å; H167-C172 WeakPolarHBondContact CD2-CA 3.43Å; H167-C172 WeakPolarHBondContact NE2-CA 3.19Å; H167-C172 WeakPolarHBondContact NE2-CB 3.45Å; H167-C172 PolarHBondContact NE2-SG 3.32Å | ||
| 168 | V | 79.4 | Confident | 77.8 | Confident | 90 Ų | 90 | 87.8 Ų | 87.8 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | trans | -76.7 | 161.2 | 172.2 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | Q170 D171 C172 | V168-Q170 HydrophobicContact CG2-CB 4.41Å; V168-Q170 PolarHBondContact O-N 2.86Å; V168-D171 HydrophobicContact CG2-CB 4.38Å; V168-D171 WeakPolarHBondContact CG2-OD2 3.4Å; V168-D171 PolarHBondContact O-N 3.36Å; V168-C172 PolarHBondContact O-N 3.21Å | ||
| 169 | K | 76.7 | Confident | 75.6 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -52.5 | -33 | -178.2 | -177.9 | -178.8 | 173.6 | -171.8 | 0 | 113.6 | C172 | K169-C172 VanDerWaalsContact O-CB 3.27Å; K169-C172 WeakPolarHBondContact O-CB 3.27Å; K169-C172 PolarHBondContact O-N 3.27Å |
| 170 | Q | 76.2 | Confident | 73.8 | Confident | 166 Ų | 166 | 96.6 Ų | 96.6 | 78% | 0.776 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -70.6 | -34.3 | -178.6 | -65.5 | -177.2 | -6.2 | 0 | 0 | 112.8 | V168 C172 | V168-Q170 HydrophobicContact CG2-CB 4.41Å; V168-Q170 PolarHBondContact O-N 2.86Å; Q170-C172 VanDerWaalsContact C-N 3.27Å; Q170-C172 PolarHBondContact O-N 3.22Å |
| 171 | D | 79 | Confident | 72.2 | Confident | 117 Ų | 117 | 104.9 Ų | 104.9 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -90.2 | 6 | 179.7 | -58.8 | -37.2 | 0 | 0 | 0 | 112.7 | H167 V168 R173 | H167-D171 HydrophobicContact CB-CB 4.24Å; V168-D171 HydrophobicContact CG2-CB 4.38Å; V168-D171 WeakPolarHBondContact CG2-OD2 3.4Å; V168-D171 PolarHBondContact O-N 3.36Å; D171-R173 PolarHBondContact O-N 2.83Å; D171-R173 VanDerWaalsContact O-N 3.08Å |
| 172 | C | 83.8 | Confident | 70.6 | Confident | 3 Ų | 3 | 105.5 Ų | 105.5 | 2% | 0.02 | 53% | 0.525 | C | S | . | . | trans | -67.7 | 114.5 | -176.9 | -170.1 | 0 | 0 | 0 | 0 | 110 | C162 H167 V168 K169 Q170 S174 F175 | C162-C172 PolarHBondContact SG-SG 3.21Å; H167-C172 WeakPolarHBondContact CD2-CA 3.43Å; H167-C172 WeakPolarHBondContact NE2-CA 3.19Å; H167-C172 WeakPolarHBondContact NE2-CB 3.45Å; H167-C172 PolarHBondContact NE2-SG 3.32Å; V168-C172 PolarHBondContact O-N 3.21Å; K169-C172 VanDerWaalsContact O-CB 3.27Å; K169-C172 WeakPolarHBondContact O-CB 3.27Å; K169-C172 PolarHBondContact O-N 3.27Å; Q170-C172 VanDerWaalsContact C-N 3.27Å; Q170-C172 PolarHBondContact O-N 3.22Å; C172-S174 PolarHBondContact O-N 3.04Å; C172-S174 VanDerWaalsContact O-N 3.12Å; C172-S174 PolarHBondContact SG-OG 3.07Å; C172-F175 HydrophobicContact CB-CB 4.25Å; C172-F175 WeakPolarHBondContact O-CA 3.46Å; C172-F175 WeakPolarHBondContact O-CB 3.3Å; C172-F175 PolarHBondContact O-N 2.76Å | ||
| 173 | R | 80.4 | Confident | 68.7 | Low | 199 Ų | 199 | 112 Ų | 112 | 75% | 0.751 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -59.4 | -27 | 178.3 | -165.2 | 176.9 | -172.9 | -162.7 | 2.2 | 112.6 | D171 F175 | D171-R173 PolarHBondContact O-N 2.83Å; D171-R173 VanDerWaalsContact O-N 3.08Å; R173-F175 PolarHBondContact O-N 3.23Å |
| 174 | S | 72.8 | Confident | 67.3 | Low | 40 Ų | 40 | 115.7 Ų | 115.7 | 28% | 0.28 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -75.9 | -4.7 | 172.8 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | C172 | C172-S174 PolarHBondContact O-N 3.04Å; C172-S174 VanDerWaalsContact O-N 3.12Å; C172-S174 PolarHBondContact SG-OG 3.07Å |
| 175 | F | 69.2 | Low | 65.5 | Low | 57 Ų | 57 | 112.2 Ų | 112.2 | 25% | 0.25 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -66.4 | -36.7 | 175.4 | -171.4 | -91.4 | 0 | 0 | 0 | 112.8 | C172 R173 L187 | C172-F175 HydrophobicContact CB-CB 4.25Å; C172-F175 WeakPolarHBondContact O-CA 3.46Å; C172-F175 WeakPolarHBondContact O-CB 3.3Å; C172-F175 PolarHBondContact O-N 2.76Å; R173-F175 PolarHBondContact O-N 3.23Å; F175-L187 HydrophobicContact CE1-CD2 3.93Å; F175-L187 HydrophobicContact CE2-CD2 3.95Å; F175-L187 HydrophobicContact CZ-CD1 4.35Å; F175-L187 HydrophobicContact CZ-CD2 3.3Å; F175-L187 HydrophobicContact CZ-CG 4.39Å |
| 176 | R | 64.1 | Low | 64.2 | Low | 229 Ų | 229 | 113.5 Ų | 113.5 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -98.9 | 0.5 | -170.2 | -65.3 | -167.7 | -178.5 | -163.1 | 1.4 | 115.4 | ||
| 177 | K | 57.9 | Low | 62.9 | Low | 138 Ų | 138 | 110.2 Ų | 110.2 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | trans | -125 | 75.1 | -169.5 | -64.3 | -171.5 | 178.7 | -166.8 | 0 | 112.5 | ||||
| 178 | F | 52.3 | Low | 61.2 | Low | 152 Ų | 152 | 116.1 Ų | 116.1 | 67% | 0.667 | 59% | 0.585 | S | S | * | * | trans | -109.6 | 88.8 | 149.2 | -69.9 | -79.6 | 0 | 0 | 0 | 107.1 | ||||
| 179 | S | 44.4 | Very low | 59.4 | Low | 97 Ų | 97 | 114.3 Ų | 114.3 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 88 | 161.6 | -70.2 | 0 | 0 | 0 | 0 | 106.7 | R181 | S179-R181 PolarHBondContact O-N 3.29Å |
| 180 | V | 51.1 | Low | 58.1 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 110.3 | 167 | -180 | 0 | 0 | 0 | 0 | 106.1 | G182 F183 | V180-G182 PolarHBondContact O-N 3.06Å; V180-F183 PolarHBondContact O-N 3.4Å |
| 181 | R | 50.9 | Low | 56.8 | Low | 235 Ų | 235 | 110.7 Ų | 110.7 | 89% | 0.887 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 36.3 | 62.7 | 172.9 | -69.1 | -173.7 | -178.7 | -153.9 | 1.2 | 114.9 | S179 F183 | S179-R181 PolarHBondContact O-N 3.29Å; R181-F183 VanDerWaalsContact C-N 3.33Å; R181-F183 WeakPolarHBondContact O-CD2 2.93Å; R181-F183 WeakPolarHBondContact O-CE2 3.1Å; R181-F183 PolarHBondContact O-N 3.05Å |
| 182 | G | 50.9 | Low | 55 | Low | 76 Ų | 76 | 112.5 Ų | 112.5 | 78% | 0.784 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.9 | 1.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | V180 | V180-G182 PolarHBondContact O-N 3.06Š|
| 183 | F | 46 | Very low | 53 | Low | 153 Ų | 153 | 120.4 Ų | 120.4 | 67% | 0.671 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.6 | 175.2 | -60 | -82.2 | 0 | 0 | 0 | 110.1 | V180 R181 C185 | V180-F183 PolarHBondContact O-N 3.4Å; R181-F183 VanDerWaalsContact C-N 3.33Å; R181-F183 WeakPolarHBondContact O-CD2 2.93Å; R181-F183 WeakPolarHBondContact O-CE2 3.1Å; R181-F183 PolarHBondContact O-N 3.05Å; F183-C185 PolarHBondContact O-N 2.93Å |
| 184 | S | 50.9 | Low | 51.2 | Low | 89 Ų | 89 | 119.3 Ų | 119.3 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 88.1 | 165.3 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | S186 | S184-S186 PolarHBondContact O-N 3.04Å |
| 185 | C | 45.2 | Very low | 49.9 | Very low | 63 Ų | 63 | 125.6 Ų | 125.6 | 43% | 0.426 | 64% | 0.641 | S | S | . | * | trans | -74.2 | 110.9 | 162.3 | -91.3 | 0 | 0 | 0 | 0 | 107.7 | F183 C189 | F183-C185 PolarHBondContact O-N 2.93Å; C185-C189 HydrophobicContact CB-CB 4.25Å | ||
| 186 | S | 52.2 | Low | 48.6 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | trans | -60 | 146.4 | 165 | -66.9 | 0 | 0 | 0 | 0 | 109.1 | S184 E188 C189 | S184-S186 PolarHBondContact O-N 3.04Å; S186-E188 PolarHBondContact O-N 3.41Å; S186-C189 WeakPolarHBondContact O-CB 3.36Å; S186-C189 PolarHBondContact O-N 3.28Å; S186-C189 PolarHBondContact O-SG 3.44Å | ||
| 187 | L | 53 | Low | 47.6 | Very low | 76 Ų | 76 | 124.5 Ų | 124.5 | 40% | 0.398 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -52.2 | -25.8 | -170.1 | -164.8 | 87 | 0 | 0 | 0 | 114.6 | F175 C189 V190 | F175-L187 HydrophobicContact CE1-CD2 3.93Å; F175-L187 HydrophobicContact CE2-CD2 3.95Å; F175-L187 HydrophobicContact CZ-CD1 4.35Å; F175-L187 HydrophobicContact CZ-CD2 3.3Å; F175-L187 HydrophobicContact CZ-CG 4.39Å; L187-C189 PolarHBondContact O-N 3.08Å; L187-V190 PolarHBondContact O-N 3.26Å |
| 188 | E | 47.9 | Very low | 47 | Very low | 169 Ų | 169 | 124.8 Ų | 124.8 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -59.3 | -28.6 | 178.8 | -68.5 | -179.5 | 162.6 | 0 | 0 | 112.6 | S186 V190 V191 | S186-E188 PolarHBondContact O-N 3.41Å; E188-V190 PolarHBondContact O-N 3.46Å; E188-V190 VanDerWaalsContact O-N 3.11Å; E188-V191 PolarHBondContact O-N 3.39Å |
| 189 | C | 42.3 | Very low | 46.6 | Very low | 52 Ų | 52 | 125 Ų | 125 | 35% | 0.351 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -65.8 | -15.3 | 179 | -53.9 | 0 | 0 | 0 | 0 | 114.5 | C185 S186 L187 | C185-C189 HydrophobicContact CB-CB 4.25Å; S186-C189 WeakPolarHBondContact O-CB 3.36Å; S186-C189 PolarHBondContact O-N 3.28Å; S186-C189 PolarHBondContact O-SG 3.44Å; L187-C189 PolarHBondContact O-N 3.08Å |
| 190 | V | 50 | Low | 46.6 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 48% | 0.479 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -95.8 | -8.6 | -176.1 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | L187 E188 | L187-V190 PolarHBondContact O-N 3.26Å; E188-V190 PolarHBondContact O-N 3.46Å; E188-V190 VanDerWaalsContact O-N 3.11Å |
| 191 | V | 48.5 | Very low | 46.5 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 68% | 0.679 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -26.2 | -169.9 | -172 | 0 | 0 | 0 | 0 | 113.2 | E188 R193 | E188-V191 PolarHBondContact O-N 3.39Å; V191-R193 PolarHBondContact O-N 2.76Å; V191-R193 VanDerWaalsContact O-N 3.09Å |
| 192 | D | 41.3 | Very low | 46.3 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 83% | 0.834 | 63% | 0.626 | S | S | * | * | trans | -86.2 | 84 | 175.2 | -86.7 | -39 | 0 | 0 | 0 | 111.8 | ||||
| 193 | R | 42.6 | Very low | 46.2 | Very low | 169 Ų | 169 | 117 Ų | 117 | 64% | 0.638 | 62% | 0.617 | S | S | * | * | trans | -109 | 73.2 | 159.9 | -70.1 | -165.2 | -160.5 | 176.5 | 11.7 | 109.7 | V191 | V191-R193 PolarHBondContact O-N 2.76Å; V191-R193 VanDerWaalsContact O-N 3.09Å | ||
| 194 | H | 42.8 | Very low | 46.4 | Very low | 176 Ų | 176 | 112.9 Ų | 112.9 | 82% | 0.815 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -90 | 92.7 | 142.4 | -136.6 | -78 | 0 | 0 | 0 | 106.4 | Q196 | H194-Q196 PolarHBondContact O-N 3.12Š|
| 195 | E | 43.8 | Very low | 46.4 | Very low | 172 Ų | 172 | 114.5 Ų | 114.5 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 44.4 | 43.5 | 150.8 | -135.4 | 179.3 | 167.2 | 0 | 0 | 119.3 | ||
| 196 | Q | 41.8 | Very low | 46.6 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -149 | 137.8 | 147.7 | -80.9 | -151 | -2.9 | 0 | 0 | 111.9 | H194 | H194-Q196 PolarHBondContact O-N 3.12Š|
| 197 | P | 43.6 | Very low | 46.4 | Very low | 95 Ų | 95 | 122.1 Ų | 122.1 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | trans | -86 | 137 | -153.6 | 32.7 | -33.4 | 0 | 0 | 0 | 112.6 | H199 | P197-H199 PolarHBondContact O-N 2.82Š| ||
| 198 | F | 45 | Very low | 46.3 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 63% | 0.632 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 29.9 | -30.8 | 153.8 | -64.2 | -86.5 | 0 | 0 | 0 | 122.3 | ||
| 199 | H | 44.3 | Very low | 46.2 | Very low | 156 Ų | 156 | 121.1 Ų | 121.1 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -79.3 | -30.8 | -178.6 | -106 | -107.7 | 0 | 0 | 0 | 114.1 | P197 C201 C202 | P197-H199 PolarHBondContact O-N 2.82Å; H199-C201 PolarHBondContact O-N 2.85Å; H199-C202 PolarHBondContact O-N 3.14Å |
| 200 | A | 45.2 | Very low | 46.3 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.6 | -36.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C202 F203 A204 | A200-C202 VanDerWaalsContact C-N 3.27Å; A200-C202 PolarHBondContact O-N 3.2Å; A200-F203 PolarHBondContact O-N 2.91Å; A200-A204 PolarHBondContact O-N 2.77Å |
| 201 | C | 49.4 | Very low | 46 | Very low | 54 Ų | 54 | 137.2 Ų | 137.2 | 37% | 0.365 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -65 | -33.6 | 179.8 | -160 | 0 | 0 | 0 | 0 | 111.9 | H199 F203 | H199-C201 PolarHBondContact O-N 2.85Å; C201-F203 PolarHBondContact O-N 3.33Å |
| 202 | C | 46.2 | Very low | 45.7 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.9 | -23.6 | 174 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | H199 A200 | H199-C202 PolarHBondContact O-N 3.14Å; A200-C202 VanDerWaalsContact C-N 3.27Å; A200-C202 PolarHBondContact O-N 3.2Å |
| 203 | F | 49.4 | Very low | 45.6 | Very low | 134 Ų | 134 | 138 Ų | 138 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -82.8 | -34.8 | -179 | -115.2 | -87.2 | 0 | 0 | 0 | 113.2 | A200 C201 M205 R206 | A200-F203 PolarHBondContact O-N 2.91Å; C201-F203 PolarHBondContact O-N 3.33Å; F203-M205 VanDerWaalsContact C-N 3.31Å; F203-M205 PolarHBondContact O-N 2.71Å; F203-R206 WeakPolarHBondContact O-CB 2.97Å; F203-R206 PolarHBondContact O-N 2.95Å; F203-R206 VanDerWaalsContact O-N 3.14Å |
| 204 | A | 50.2 | Low | 45.4 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 56% | 0.562 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -63.6 | -32.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A200 R206 T207 | A200-A204 PolarHBondContact O-N 2.77Å; A204-R206 VanDerWaalsContact C-N 3.3Å; A204-R206 PolarHBondContact O-N 3.05Å; A204-T207 PolarHBondContact O-OG1 2.83Å |
| 205 | M | 50 | Low | 45.3 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 61% | 0.606 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -76.8 | -11.4 | 178.7 | -74 | -88.9 | -113.6 | 0 | 0 | 113.9 | F203 T207 | F203-M205 VanDerWaalsContact C-N 3.31Å; F203-M205 PolarHBondContact O-N 2.71Å; M205-T207 VanDerWaalsContact C-N 3.26Å; M205-T207 PolarHBondContact O-N 2.69Å |
| 206 | R | 48.6 | Very low | 45.3 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 70% | 0.698 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.2 | -23.7 | 176.1 | -85.5 | -174.6 | 173.5 | -175.3 | -1.6 | 113.1 | F203 A204 | F203-R206 WeakPolarHBondContact O-CB 2.97Å; F203-R206 PolarHBondContact O-N 2.95Å; F203-R206 VanDerWaalsContact O-N 3.14Å; A204-R206 VanDerWaalsContact C-N 3.3Å; A204-R206 PolarHBondContact O-N 3.05Å |
| 207 | T | 49.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -92.5 | -20.4 | -176.6 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | A204 M205 | A204-T207 PolarHBondContact O-OG1 2.83Å; M205-T207 VanDerWaalsContact C-N 3.26Å; M205-T207 PolarHBondContact O-N 2.69Å |
| 208 | S | 49.8 | Very low | 44.9 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -80.2 | -27.2 | -177.1 | 165.7 | 0 | 0 | 0 | 0 | 113.7 | R210 | S208-R210 PolarHBondContact O-N 3.04Å |
| 209 | N | 45.6 | Very low | 44.7 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 26 | -171.1 | -138 | -6.8 | 0 | 0 | 0 | 115.1 | ||
| 210 | R | 44.3 | Very low | 44.4 | Very low | 233 Ų | 233 | 140.7 Ų | 140.7 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | trans | -97.5 | 19.1 | 174.2 | -88.2 | -166 | -176.9 | -165 | 1.7 | 114.5 | S208 | S208-R210 PolarHBondContact O-N 3.04Š| ||
| 211 | R | 43.7 | Very low | 44.3 | Very low | 236 Ų | 236 | 148.1 Ų | 148.1 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | trans | -121.5 | 58.5 | 172.4 | -83.9 | -170.3 | -177.9 | 175.2 | 1.5 | 112.6 | ||||
| 212 | T | 42.1 | Very low | 43.9 | Very low | 104 Ų | 104 | 154.8 Ų | 154.8 | 64% | 0.638 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -149.3 | 107.2 | 153 | 48.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 213 | H | 39 | Very low | 43.8 | Very low | 181 Ų | 181 | 159 Ų | 159 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | 43.6 | 102.2 | 151.5 | -64.4 | -90.9 | 0 | 0 | 0 | 118 | ||||
| 214 | R | 39.6 | Very low | 43.6 | Very low | 240 Ų | 240 | 157.7 Ų | 157.7 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | -177.7 | 112.9 | 117.6 | -99.3 | 165.1 | -176.2 | -167 | 0.5 | 110.3 | A216 | R214-A216 PolarHBondContact O-N 2.79Å; R214-A216 VanDerWaalsContact O-N 3.08Å | |||
| 215 | T | 40.1 | Very low | 43.5 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 96% | 0.957 | 79% | 0.789 | S | S | * | * | trans | -49.1 | 104.4 | 154.5 | -42.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 216 | A | 42.7 | Very low | 43.1 | Very low | 81 Ų | 81 | 160.4 Ų | 160.4 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | -149.4 | 101.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | R214 | R214-A216 PolarHBondContact O-N 2.79Å; R214-A216 VanDerWaalsContact O-N 3.08Å | ||
| 217 | H | 41.6 | Very low | 42.8 | Very low | 180 Ų | 180 | 161.9 Ų | 161.9 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | 22.3 | 110 | 156.1 | -82.7 | -98.4 | 0 | 0 | 0 | 118 | F219 | H217-F219 PolarHBondContact O-N 3.03Š| ||
| 218 | F | 37.4 | Very low | 42.5 | Very low | 205 Ų | 205 | 160.9 Ų | 160.9 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -35.1 | 113.3 | 150.2 | -100.8 | -107.6 | 0 | 0 | 0 | 111.8 | ||||
| 219 | F | 39.7 | Very low | 41.9 | Very low | 198 Ų | 198 | 167.7 Ų | 167.7 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | trans | -136.5 | 115.3 | 141.1 | -97 | -79.8 | 0 | 0 | 0 | 108.1 | H217 R221 | H217-F219 PolarHBondContact O-N 3.03Å; F219-R221 PolarHBondContact O-N 3.14Å | ||
| 220 | G | 38.6 | Very low | 41.7 | Very low | 75 Ų | 75 | 167 Ų | 167 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -59.8 | 129.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 221 | R | 41.7 | Very low | 41.3 | Very low | 225 Ų | 225 | 163 Ų | 163 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | trans | -131 | 102.1 | 159.4 | -134 | 176.5 | -164.2 | -145.1 | 2.6 | 107.4 | F219 Q223 | F219-R221 PolarHBondContact O-N 3.14Å; R221-Q223 PolarHBondContact O-N 2.88Å | ||
| 222 | Q | 42.4 | Very low | 41.3 | Very low | 195 Ų | 195 | 157.3 Ų | 157.3 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -51 | 108.2 | 166.5 | -73.3 | 177.3 | 11.3 | 0 | 0 | 107.9 | ||||
| 223 | Q | 44 | Very low | 41.5 | Very low | 176 Ų | 176 | 159.2 Ų | 159.2 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -102.6 | 105.6 | 160.8 | -71.8 | -170 | 44.2 | 0 | 0 | 106 | R221 S225 | R221-Q223 PolarHBondContact O-N 2.88Å; Q223-S225 PolarHBondContact O-N 2.86Å | ||
| 224 | S | 45 | Very low | 41.6 | Very low | 105 Ų | 105 | 155.2 Ų | 155.2 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -49.4 | 119.7 | 173.9 | 30.8 | 0 | 0 | 0 | 0 | 110 | I226 | S224-I226 PolarHBondContact O-N 3.48Š| ||
| 225 | S | 47.1 | Very low | 41.4 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -67.3 | 90.4 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | Q223 R227 | Q223-S225 PolarHBondContact O-N 2.86Å; S225-R227 PolarHBondContact O-N 2.73Å | ||
| 226 | I | 43.1 | Very low | 42 | Very low | 148 Ų | 148 | 160.9 Ų | 160.9 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | -74.8 | 85.3 | 165 | -58.8 | 174.8 | 0 | 0 | 0 | 106.3 | S224 S228 | S224-I226 PolarHBondContact O-N 3.48Å; I226-S228 VanDerWaalsContact C-N 3.28Å; I226-S228 PolarHBondContact O-N 2.82Å | ||
| 227 | R | 42.5 | Very low | 42 | Very low | 216 Ų | 216 | 164.9 Ų | 164.9 | 82% | 0.815 | 83% | 0.827 | S | S | * | * | trans | -69.7 | 89.5 | 163.9 | -80.3 | -178 | 170.5 | -174.2 | -2 | 107.5 | S225 R229 | S225-R227 PolarHBondContact O-N 2.73Å; R227-R229 PolarHBondContact O-N 2.92Å | ||
| 228 | S | 43 | Very low | 42 | Very low | 99 Ų | 99 | 164.1 Ų | 164.1 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | -63 | 100.6 | 164.5 | 46.4 | 0 | 0 | 0 | 0 | 108.2 | I226 C230 | I226-S228 VanDerWaalsContact C-N 3.28Å; I226-S228 PolarHBondContact O-N 2.82Å; S228-C230 PolarHBondContact O-N 2.93Å; S228-C230 VanDerWaalsContact O-N 3.14Å | ||
| 229 | R | 37.7 | Very low | 42.3 | Very low | 235 Ų | 235 | 161.8 Ų | 161.8 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -65.3 | 106.2 | 170 | -70.9 | -177.8 | -174.4 | -168.4 | 1.3 | 107.5 | R227 I231 | R227-R229 PolarHBondContact O-N 2.92Å; R229-I231 PolarHBondContact O-N 2.8Å | ||
| 230 | C | 40 | Very low | 42.4 | Very low | 118 Ų | 118 | 159.7 Ų | 159.7 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -66.8 | 109.5 | 166.1 | -60.9 | 0 | 0 | 0 | 0 | 107.7 | S228 P232 | S228-C230 PolarHBondContact O-N 2.93Å; S228-C230 VanDerWaalsContact O-N 3.14Å; C230-P232 WeakPolarHBondContact O-CD 2.95Å | ||
| 231 | I | 36 | Very low | 42.7 | Very low | 150 Ų | 150 | 165 Ų | 165 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -75.6 | 119.7 | 170.8 | -60.7 | 173.8 | 0 | 0 | 0 | 106.7 | R229 T233 | R229-I231 PolarHBondContact O-N 2.8Å; I231-T233 PolarHBondContact O-N 3.28Å | ||
| 232 | P | 43.1 | Very low | 42.8 | Very low | 115 Ų | 115 | 161 Ų | 161 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | trans | -69.4 | 120.8 | 175.4 | 26.5 | -29.6 | 0 | 0 | 0 | 109.1 | C230 S234 | C230-P232 WeakPolarHBondContact O-CD 2.95Å; P232-S234 PolarHBondContact O-N 2.66Å; P232-S234 VanDerWaalsContact O-N 3.13Å | ||
| 233 | T | 48 | Very low | 42.8 | Very low | 145 Ų | 145 | 158.6 Ų | 158.6 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -61.6 | 111.2 | 172.7 | 45.2 | 0 | 0 | 0 | 0 | 108.9 | I231 | I231-T233 PolarHBondContact O-N 3.28Š| ||
| 234 | S | 41.1 | Very low | 42.7 | Very low | 97 Ų | 97 | 157.2 Ų | 157.2 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | trans | -68.7 | 136.3 | 175.1 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | P232 | P232-S234 PolarHBondContact O-N 2.66Å; P232-S234 VanDerWaalsContact O-N 3.13Å | ||
| 235 | R | 34 | Very low | 42.5 | Very low | 241 Ų | 241 | 161.6 Ų | 161.6 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -45.5 | 132.9 | 168.7 | -67.2 | 173.9 | 176 | 174.9 | -3 | 111.9 | ||||
| 236 | F | 54.6 | Low | 42.1 | Very low | 274 Ų | 274 | 167.1 Ų | 167.1 | 100% | 1.202 | 83% | 0.831 | S | S | * | * | trans | -134.4 | 0 | 142.7 | -79.6 | -77.3 | 0 | 0 | 0 | 107.1 |
Retrieved 236 of 236 residues in 802.6 ms
(Link to these results)