| 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 | 57.7 | Low | 68.9 | Low | 242 Ų | 242 | 148.4 Ų | 148.4 | 100% | 1.192 | 83% | 0.832 | S | S | * | * | 0 | 109.7 | 0 | -75.2 | -179.8 | 160.4 | 0 | 0 | 107.6 | A3 | M1-A3 PolarHBondContact O-N 3.09Š| |||
| 2 | I | 52.1 | Low | 69.3 | Low | 167 Ų | 167 | 141.5 Ų | 141.5 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -80 | 105.2 | -179.4 | -59.9 | 172.2 | 0 | 0 | 0 | 106.7 | V4 | I2-V4 PolarHBondContact O-N 3Š| ||
| 3 | A | 54.6 | Low | 69.6 | Low | 97 Ų | 97 | 138.2 Ų | 138.2 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 109.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | M1 | M1-A3 PolarHBondContact O-N 3.09Š| ||
| 4 | V | 73.1 | Confident | 69.6 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 125 | 172.4 | -177.5 | 0 | 0 | 0 | 0 | 108 | I2 | I2-V4 PolarHBondContact O-N 3Š|
| 5 | P | 72.4 | Confident | 69.6 | Low | 103 Ų | 103 | 134.9 Ų | 134.9 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 153.6 | -179.7 | 30.2 | -33.7 | 0 | 0 | 0 | 111.3 | T7 | P5-T7 PolarHBondContact O-N 3.06Š|
| 6 | P | 72 | Confident | 68.8 | Low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 132.6 | -178 | 28 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 7 | T | 78.3 | Confident | 68.5 | Low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.9 | 177.6 | -26.3 | 0 | 0 | 0 | 0 | 109.5 | P5 L9 | P5-T7 PolarHBondContact O-N 3.06Å; T7-L9 PolarHBondContact O-N 3.33Å |
| 8 | P | 71.5 | Confident | 67.9 | Low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 125.1 | 177.8 | 26.3 | -31.8 | 0 | 0 | 0 | 109.8 | F10 | P8-F10 PolarHBondContact O-N 3.36Š|
| 9 | L | 73.8 | Confident | 67.6 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 94% | 0.942 | 75% | 0.753 | S | S | * | * | trans | -64.3 | 97 | 170.4 | -93.8 | 157.7 | 0 | 0 | 0 | 108.8 | T7 H11 | T7-L9 PolarHBondContact O-N 3.33Å; L9-H11 PolarHBondContact O-N 3.05Å | ||
| 10 | F | 79.6 | Confident | 67.3 | Low | 178 Ų | 178 | 131 Ų | 131 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | -67.7 | 102.8 | 170.7 | -173.6 | -100.8 | 0 | 0 | 0 | 108.9 | P8 P12 | P8-F10 PolarHBondContact O-N 3.36Å; F10-P12 HydrophobicContact CE1-CB 4.43Å; F10-P12 WeakPolarHBondContact O-CD 3.44Å | ||
| 11 | H | 72.8 | Confident | 66.5 | Low | 166 Ų | 166 | 132 Ų | 132 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -81.8 | 114.7 | 167.2 | -163.6 | 69.8 | 0 | 0 | 0 | 107.4 | L9 | L9-H11 PolarHBondContact O-N 3.05Š| ||
| 12 | P | 74.1 | Confident | 66.1 | Low | 66 Ų | 66 | 128.1 Ų | 128.1 | 43% | 0.429 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -62 | 139.5 | 174.4 | 28.1 | -32.3 | 0 | 0 | 0 | 107.9 | F10 | F10-P12 HydrophobicContact CE1-CB 4.43Å; F10-P12 WeakPolarHBondContact O-CD 3.44Å |
| 13 | P | 72.2 | Confident | 65.7 | Low | 98 Ų | 98 | 128.9 Ų | 128.9 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 148.4 | 175.9 | 26.3 | -32.7 | 0 | 0 | 0 | 109.1 | ||
| 14 | P | 70.6 | Confident | 65.3 | Low | 97 Ų | 97 | 127.9 Ų | 127.9 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -56 | 149.6 | 173.2 | 26.7 | -33.7 | 0 | 0 | 0 | 108.8 | T16 | P14-T16 VanDerWaalsContact C-N 3.33Å; P14-T16 PolarHBondContact O-N 3.15Å |
| 15 | P | 69.1 | Low | 64 | Low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 71% | 0.714 | S | S | * | * | trans | -61.8 | 100.3 | 174.1 | 26.3 | -32.1 | 0 | 0 | 0 | 108 | F17 | P15-F17 VanDerWaalsContact C-N 3.3Å; P15-F17 PolarHBondContact O-N 2.88Å | ||
| 16 | T | 57.6 | Low | 62.6 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | trans | -64.2 | 98.9 | 166.7 | -27.1 | 0 | 0 | 0 | 0 | 105.3 | P14 E18 | P14-T16 VanDerWaalsContact C-N 3.33Å; P14-T16 PolarHBondContact O-N 3.15Å; T16-E18 HydrophobicContact CG2-CG 4.06Å; T16-E18 PolarHBondContact O-N 3.5Å | ||
| 17 | F | 62.3 | Low | 61.4 | Low | 172 Ų | 172 | 127.2 Ų | 127.2 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -69.6 | 84.5 | 162.5 | -175.9 | -94.5 | 0 | 0 | 0 | 105.7 | P15 P19 | P15-F17 VanDerWaalsContact C-N 3.3Å; P15-F17 PolarHBondContact O-N 2.88Å; F17-P19 WeakPolarHBondContact O-CD 3.35Å | ||
| 18 | E | 58.6 | Low | 59.7 | Low | 138 Ų | 138 | 124.7 Ų | 124.7 | 65% | 0.645 | 71% | 0.713 | S | S | * | * | trans | -67.3 | 115.6 | 164.3 | -61.9 | -141 | 156.7 | 0 | 0 | 106.1 | T16 | T16-E18 HydrophobicContact CG2-CG 4.06Å; T16-E18 PolarHBondContact O-N 3.5Å | ||
| 19 | P | 61.6 | Low | 58.2 | Low | 86 Ų | 86 | 124.6 Ų | 124.6 | 56% | 0.558 | 72% | 0.723 | S | S | * | * | trans | -57.9 | 142.6 | 172.2 | 27.7 | -32.4 | 0 | 0 | 0 | 106.8 | F17 I21 | F17-P19 WeakPolarHBondContact O-CD 3.35Å; P19-I21 PolarHBondContact O-N 3.37Å | ||
| 20 | P | 62 | Low | 56.6 | Low | 93 Ų | 93 | 119.9 Ų | 119.9 | 60% | 0.604 | 71% | 0.71 | S | S | * | * | trans | -56.3 | 118.2 | 175.5 | 24.5 | -31.1 | 0 | 0 | 0 | 107 | H22 | P20-H22 PolarHBondContact O-N 3.43Š| ||
| 21 | I | 50.3 | Low | 54.8 | Low | 154 Ų | 154 | 114.4 Ų | 114.4 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | -68.5 | 69.6 | 168.2 | -36.1 | 172.3 | 0 | 0 | 0 | 105.5 | P19 E23 | P19-I21 PolarHBondContact O-N 3.37Å; I21-E23 PolarHBondContact O-N 3.04Å; I21-E23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | H | 50.3 | Low | 53.5 | Low | 160 Ų | 160 | 114.1 Ų | 114.1 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | trans | -75.8 | 90.9 | 159.5 | -83.9 | -65.2 | 0 | 0 | 0 | 104.7 | P20 A24 | P20-H22 PolarHBondContact O-N 3.43Å; H22-A24 PolarHBondContact O-N 2.92Å | ||
| 23 | E | 43.5 | Very low | 52.4 | Low | 182 Ų | 182 | 115.5 Ų | 115.5 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -44.4 | 97.6 | 147.2 | -164.3 | 174.2 | -162.1 | 0 | 0 | 106 | I21 | I21-E23 PolarHBondContact O-N 3.04Å; I21-E23 VanDerWaalsContact O-N 3.08Å | ||
| 24 | A | 44.8 | Very low | 51.5 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | trans | -64.3 | 125.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 106 | H22 A26 | H22-A24 PolarHBondContact O-N 2.92Å; A24-A26 PolarHBondContact O-N 3.4Å | ||
| 25 | P | 46.5 | Very low | 50.3 | Low | 108 Ų | 108 | 117 Ų | 117 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -59.8 | 131.4 | 161.5 | 29.5 | -29.8 | 0 | 0 | 0 | 104.7 | V27 | P25-V27 VanDerWaalsContact C-N 3.35Å; P25-V27 PolarHBondContact O-N 3.15Å | ||
| 26 | A | 42.8 | Very low | 49.3 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -42 | 103.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | A24 A28 | A24-A26 PolarHBondContact O-N 3.4Å; A26-A28 PolarHBondContact O-N 2.88Å | ||
| 27 | V | 47.4 | Very low | 48.8 | Very low | 135 Ų | 135 | 115.3 Ų | 115.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -72.8 | 82.4 | 168.1 | -79.4 | 0 | 0 | 0 | 0 | 104.6 | P25 A29 | P25-V27 VanDerWaalsContact C-N 3.35Å; P25-V27 PolarHBondContact O-N 3.15Å; V27-A29 PolarHBondContact O-N 3.31Å | ||
| 28 | A | 42.3 | Very low | 48.2 | Very low | 76 Ų | 76 | 110.3 Ų | 110.3 | 63% | 0.628 | 74% | 0.741 | S | S | * | * | trans | -46.9 | 111 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | A26 A30 | A26-A28 PolarHBondContact O-N 2.88Å; A28-A30 HydrophobicContact CB-CB 3.9Å; A28-A30 PolarHBondContact O-N 2.95Å | ||
| 29 | A | 40.9 | Very low | 47.8 | Very low | 115 Ų | 115 | 109.4 Ų | 109.4 | 95% | 0.95 | 75% | 0.75 | S | S | * | * | trans | -62.3 | 76.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | V27 | V27-A29 PolarHBondContact O-N 3.31Š| ||
| 30 | A | 40.1 | Very low | 47 | Very low | 81 Ų | 81 | 109.7 Ų | 109.7 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -144.5 | 116 | -177.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A28 | A28-A30 HydrophobicContact CB-CB 3.9Å; A28-A30 PolarHBondContact O-N 2.95Å | ||
| 31 | G | 40 | Very low | 46.3 | Very low | 64 Ų | 64 | 110.9 Ų | 110.9 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | 90 | 60.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S33 | G31-S33 PolarHBondContact O-N 2.84Å; G31-S33 VanDerWaalsContact O-N 3.12Å | ||
| 32 | N | 46.2 | Very low | 46.5 | Very low | 160 Ų | 160 | 110.8 Ų | 110.8 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -80.5 | 59.7 | 145.2 | -153.7 | 82.9 | 0 | 0 | 0 | 108.6 | ||||
| 33 | S | 51.8 | Low | 46.7 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -92.4 | 119.9 | 172 | -62.2 | 0 | 0 | 0 | 0 | 107.9 | G31 A35 | G31-S33 PolarHBondContact O-N 2.84Å; G31-S33 VanDerWaalsContact O-N 3.12Å; S33-A35 PolarHBondContact O-N 3.32Å | ||
| 34 | P | 52.6 | Low | 47.3 | Very low | 128 Ų | 128 | 104.9 Ų | 104.9 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | trans | -76.3 | 84.6 | 166.4 | 32.2 | -27.5 | 0 | 0 | 0 | 106.8 | G36 | P34-G36 PolarHBondContact O-N 2.99Š| ||
| 35 | A | 44.8 | Very low | 47.9 | Very low | 98 Ų | 98 | 109.3 Ų | 109.3 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -77.6 | 70.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | S33 | S33-A35 PolarHBondContact O-N 3.32Š| ||
| 36 | G | 49.9 | Very low | 48.7 | Very low | 70 Ų | 70 | 105.6 Ų | 105.6 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -105.7 | 78.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | P34 G38 | P34-G36 PolarHBondContact O-N 2.99Å; G36-G38 PolarHBondContact O-N 3.03Å; G36-G38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | S | 45.4 | Very low | 50 | Low | 132 Ų | 132 | 102.7 Ų | 102.7 | 92% | 0.923 | 72% | 0.716 | S | S | * | * | trans | -69.3 | 95.9 | 167.4 | -72.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | G | 50.2 | Low | 51.4 | Low | 68 Ų | 68 | 104.8 Ų | 104.8 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -142.8 | 76.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | G36 | G36-G38 PolarHBondContact O-N 3.03Å; G36-G38 VanDerWaalsContact O-N 3.08Å | ||
| 39 | S | 49.7 | Very low | 53.4 | Low | 118 Ų | 118 | 104 Ų | 104 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | 48.6 | 90.5 | 97.7 | -171.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 40 | S | 46.6 | Very low | 55.6 | Low | 92 Ų | 92 | 101.1 Ų | 101.1 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | trans | 75.1 | 131.8 | 142.8 | -165.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 41 | T | 47.3 | Very low | 57.9 | Low | 118 Ų | 118 | 104.1 Ų | 104.1 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 87.3 | 107.8 | 152.9 | 32.2 | 0 | 0 | 0 | 0 | 119 | ||
| 42 | D | 54.2 | Low | 60.3 | Low | 153 Ų | 153 | 104 Ų | 104 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | 78.3 | 62.5 | 166.1 | -69 | -15 | 0 | 0 | 0 | 120.3 | A44 | D42-A44 PolarHBondContact O-N 3.37Š| ||
| 43 | D | 53.6 | Low | 62.5 | Low | 128 Ų | 128 | 102.7 Ų | 102.7 | 68% | 0.684 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -86.4 | 25.6 | -168.6 | -75 | -48.2 | 0 | 0 | 0 | 118.6 | ||
| 44 | A | 56 | Low | 64.5 | Low | 89 Ų | 89 | 100.9 Ų | 100.9 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.5 | -33.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | D42 | D42-A44 PolarHBondContact O-N 3.37Å |
| 45 | Y | 58.5 | Low | 66.5 | Low | 169 Ų | 169 | 97.5 Ų | 97.5 | 66% | 0.663 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.9 | -36.2 | -178.6 | -150 | -96.9 | 0 | 0 | 0 | 112.2 | G47 R48 T49 | Y45-G47 PolarHBondContact O-N 2.92Å; Y45-R48 PolarHBondContact O-N 3.44Å; Y45-T49 HydrophobicContact CD1-CG2 4.28Å; Y45-T49 HydrophobicContact CE1-CG2 4.38Å; Y45-T49 PolarHBondContact O-N 3.45Å |
| 46 | G | 61.7 | Low | 69 | Low | 30 Ų | 30 | 100 Ų | 100 | 31% | 0.309 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.9 | -35.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R48 T49 A50 | G46-R48 PolarHBondContact O-N 3.31Å; G46-T49 WeakPolarHBondContact CA-OG1 3.42Å; G46-T49 PolarHBondContact O-N 2.85Å; G46-T49 PolarHBondContact O-OG1 2.89Å; G46-A50 WeakPolarHBondContact O-CB 3.38Å; G46-A50 PolarHBondContact O-N 3.27Å |
| 47 | G | 71.2 | Confident | 71.1 | Confident | 39 Ų | 39 | 104.8 Ų | 104.8 | 40% | 0.402 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.8 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y45 M51 | Y45-G47 PolarHBondContact O-N 2.92Å; G47-M51 WeakPolarHBondContact O-CG 3.25Å; G47-M51 PolarHBondContact O-N 2.95Å; G47-M51 VanDerWaalsContact O-N 3.1Å |
| 48 | R | 75.6 | Confident | 73.5 | Confident | 178 Ų | 178 | 104.8 Ų | 104.8 | 67% | 0.672 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -38.6 | 177.8 | -71.2 | 179.7 | 68.4 | -133.8 | 3.8 | 111.9 | Y45 G46 A52 | Y45-R48 PolarHBondContact O-N 3.44Å; G46-R48 PolarHBondContact O-N 3.31Å; R48-A52 WeakPolarHBondContact O-CB 3.27Å; R48-A52 PolarHBondContact O-N 2.93Å; R48-A52 VanDerWaalsContact O-N 3.08Å |
| 49 | T | 84.3 | Confident | 75.8 | Confident | 61 Ų | 61 | 109.2 Ų | 109.2 | 37% | 0.374 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.5 | -44.8 | 176.7 | 55 | 0 | 0 | 0 | 0 | 111.3 | Y45 G46 M51 A52 E53 | Y45-T49 HydrophobicContact CD1-CG2 4.28Å; Y45-T49 HydrophobicContact CE1-CG2 4.38Å; Y45-T49 PolarHBondContact O-N 3.45Å; G46-T49 WeakPolarHBondContact CA-OG1 3.42Å; G46-T49 PolarHBondContact O-N 2.85Å; G46-T49 PolarHBondContact O-OG1 2.89Å; T49-M51 PolarHBondContact O-N 3.17Å; T49-A52 PolarHBondContact O-N 3.33Å; T49-A52 VanDerWaalsContact O-N 3.15Å; T49-E53 WeakPolarHBondContact O-CG 3.42Å; T49-E53 PolarHBondContact O-N 2.97Å |
| 50 | A | 87.4 | Confident | 78 | Confident | 54 Ų | 54 | 111.2 Ų | 111.2 | 45% | 0.446 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.4 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G46 E53 A54 | G46-A50 WeakPolarHBondContact O-CB 3.38Å; G46-A50 PolarHBondContact O-N 3.27Å; A50-E53 PolarHBondContact O-N 3.47Å; A50-A54 WeakPolarHBondContact O-CB 3.39Å; A50-A54 PolarHBondContact O-N 3.29Å |
| 51 | M | 88.3 | Confident | 80.4 | Confident | 144 Ų | 144 | 112.2 Ų | 112.2 | 71% | 0.709 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.4 | -40.5 | 175.1 | -73.2 | -65.9 | 179 | 0 | 0 | 112.3 | G47 T49 A54 E55 | G47-M51 WeakPolarHBondContact O-CG 3.25Å; G47-M51 PolarHBondContact O-N 2.95Å; G47-M51 VanDerWaalsContact O-N 3.1Å; T49-M51 PolarHBondContact O-N 3.17Å; M51-A54 PolarHBondContact O-N 3.07Å; M51-E55 WeakPolarHBondContact O-CB 3.24Å; M51-E55 PolarHBondContact O-N 3.05Å |
| 52 | A | 91.2 | Very high | 82.7 | Confident | 60 Ų | 60 | 110.8 Ų | 110.8 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R48 T49 R56 | R48-A52 WeakPolarHBondContact O-CB 3.27Å; R48-A52 PolarHBondContact O-N 2.93Å; R48-A52 VanDerWaalsContact O-N 3.08Å; T49-A52 PolarHBondContact O-N 3.33Å; T49-A52 VanDerWaalsContact O-N 3.15Å; A52-R56 WeakPolarHBondContact O-CB 3.33Å; A52-R56 PolarHBondContact O-N 3.39Å |
| 53 | E | 92.5 | Very high | 84.8 | Confident | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.5 | -42.8 | 175 | -74 | -178.6 | -175.9 | 0 | 0 | 112.5 | T49 A50 E55 R56 R57 | T49-E53 WeakPolarHBondContact O-CG 3.42Å; T49-E53 PolarHBondContact O-N 2.97Å; A50-E53 PolarHBondContact O-N 3.47Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.02Å; E53-R56 WeakPolarHBondContact O-CB 3.49Å; E53-R56 PolarHBondContact O-N 3.13Å; E53-R57 WeakPolarHBondContact O-CB 3.44Å; E53-R57 PolarHBondContact O-N 3.02Å |
| 54 | A | 93.7 | Very high | 87 | Confident | 56 Ų | 56 | 106.2 Ų | 106.2 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A50 M51 R57 R58 | A50-A54 WeakPolarHBondContact O-CB 3.39Å; A50-A54 PolarHBondContact O-N 3.29Å; M51-A54 PolarHBondContact O-N 3.07Å; A54-R57 WeakPolarHBondContact O-CB 3.47Å; A54-R57 PolarHBondContact O-N 3.2Å; A54-R58 PolarHBondContact O-N 2.88Å |
| 55 | E | 95.4 | Very high | 89 | Confident | 57 Ų | 57 | 111.6 Ų | 111.6 | 27% | 0.266 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.5 | 177.3 | 55.4 | -160.2 | 0 | 0 | 111.8 | M51 E53 R57 R58 R59 | M51-E55 WeakPolarHBondContact O-CB 3.24Å; M51-E55 PolarHBondContact O-N 3.05Å; E53-E55 VanDerWaalsContact C-N 3.34Å; E53-E55 PolarHBondContact O-N 3.02Å; E55-R57 VanDerWaalsContact C-N 3.33Å; E55-R57 PolarHBondContact O-N 2.65Å; E55-R58 PolarHBondContact O-N 2.86Å; E55-R58 IonicContact OE1-CZ 3.67Å; E55-R58 IonicContact OE1-NE 3.73Å; E55-R58 IonicContact OE1-NH2 2.79Å; E55-R58 PolarHBondContact OE1-NH2 2.92Å; E55-R58 IonicContact OE2-CZ 3.4Å; E55-R58 IonicContact OE2-NE 2.76Å; E55-R58 PolarHBondContact OE2-NE 3.31Å; E55-R58 IonicContact OE2-NH2 3.53Å; E55-R58 PolarHBondContact OE2-NH2 3.21Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.9Å; E55-R59 IonicContact OE1-CZ 3.34Å; E55-R59 IonicContact OE1-NE 2.82Å; E55-R59 PolarHBondContact OE1-NE 3.42Å; E55-R59 IonicContact OE1-NH2 2.87Å; E55-R59 PolarHBondContact OE1-NH2 2.91Å |
| 56 | R | 95.9 | Very high | 90.9 | Very high | 152 Ų | 152 | 105.7 Ų | 105.7 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | 172.9 | -179.1 | -175.2 | -71.6 | -99.9 | 5.4 | 111.4 | A52 E53 R59 R60 | A52-R56 WeakPolarHBondContact O-CB 3.33Å; A52-R56 PolarHBondContact O-N 3.39Å; E53-R56 WeakPolarHBondContact O-CB 3.49Å; E53-R56 PolarHBondContact O-N 3.13Å; R56-R59 PolarHBondContact O-N 3.45Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 2.74Å |
| 57 | R | 95.4 | Very high | 92.6 | Very high | 169 Ų | 169 | 107 Ų | 107 | 64% | 0.638 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 176.8 | -164.4 | 175.1 | -163.6 | 105.5 | 1.1 | 111.1 | E53 A54 E55 R59 R60 M61 | E53-R57 WeakPolarHBondContact O-CB 3.44Å; E53-R57 PolarHBondContact O-N 3.02Å; A54-R57 WeakPolarHBondContact O-CB 3.47Å; A54-R57 PolarHBondContact O-N 3.2Å; E55-R57 VanDerWaalsContact C-N 3.33Å; E55-R57 PolarHBondContact O-N 2.65Å; R57-R59 PolarHBondContact O-N 2.99Å; R57-R60 PolarHBondContact O-N 3.05Å; R57-M61 HydrophobicContact CG-CE 4.41Å; R57-M61 WeakPolarHBondContact O-CG 3.42Å; R57-M61 PolarHBondContact O-N 3.35Å |
| 58 | R | 95.8 | Very high | 93.9 | Very high | 132 Ų | 132 | 106.8 Ų | 106.8 | 50% | 0.498 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 175 | -167.7 | -173.6 | 70.6 | 90.6 | 2.5 | 111.6 | A54 E55 R60 M61 V62 | A54-R58 PolarHBondContact O-N 2.88Å; E55-R58 PolarHBondContact O-N 2.86Å; E55-R58 IonicContact OE1-CZ 3.67Å; E55-R58 IonicContact OE1-NE 3.73Å; E55-R58 IonicContact OE1-NH2 2.79Å; E55-R58 PolarHBondContact OE1-NH2 2.92Å; E55-R58 IonicContact OE2-CZ 3.4Å; E55-R58 IonicContact OE2-NE 2.76Å; E55-R58 PolarHBondContact OE2-NE 3.31Å; E55-R58 IonicContact OE2-NH2 3.53Å; E55-R58 PolarHBondContact OE2-NH2 3.21Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 3.26Å; R58-M61 PolarHBondContact O-N 3.44Å; R58-V62 WeakPolarHBondContact O-CG2 3.27Å; R58-V62 PolarHBondContact O-N 2.79Å |
| 59 | R | 96.9 | Very high | 95 | Very high | 162 Ų | 162 | 105.2 Ų | 105.2 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 175.9 | -69.9 | 176.2 | -170.9 | -172.1 | 3 | 112.3 | E55 R56 R57 V62 S63 | E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.9Å; E55-R59 IonicContact OE1-CZ 3.34Å; E55-R59 IonicContact OE1-NE 2.82Å; E55-R59 PolarHBondContact OE1-NE 3.42Å; E55-R59 IonicContact OE1-NH2 2.87Å; E55-R59 PolarHBondContact OE1-NH2 2.91Å; R56-R59 PolarHBondContact O-N 3.45Å; R57-R59 PolarHBondContact O-N 2.99Å; R59-V62 PolarHBondContact O-N 3.22Å; R59-S63 WeakPolarHBondContact O-CB 3.44Å; R59-S63 PolarHBondContact O-N 3.45Å |
| 60 | R | 95.9 | Very high | 95.7 | Very high | 159 Ų | 159 | 109.1 Ų | 109.1 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 175.3 | -74.3 | 175.2 | -179.8 | 162.9 | -2.5 | 112.3 | R56 R57 R58 S63 N64 | R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 2.74Å; R57-R60 PolarHBondContact O-N 3.05Å; R58-R60 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 3.26Å; R60-S63 PolarHBondContact O-N 3.48Å; R60-N64 VanDerWaalsContact O-CB 3.25Å; R60-N64 WeakPolarHBondContact O-CB 3.31Å; R60-N64 PolarHBondContact O-N 3.28Å |
| 61 | M | 97.1 | Very high | 96.2 | Very high | 113 Ų | 113 | 108.6 Ų | 108.6 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 177.6 | -71.6 | -171.7 | -69.1 | 0 | 0 | 111.7 | R57 R58 R65 | R57-M61 HydrophobicContact CG-CE 4.41Å; R57-M61 WeakPolarHBondContact O-CG 3.42Å; R57-M61 PolarHBondContact O-N 3.35Å; R58-M61 PolarHBondContact O-N 3.44Å; M61-R65 VanDerWaalsContact O-CB 3.25Å; M61-R65 WeakPolarHBondContact O-CB 3.41Å; M61-R65 PolarHBondContact O-N 3.34Å |
| 62 | V | 97 | Very high | 96.7 | Very high | 88 Ų | 88 | 111.1 Ų | 111.1 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 111 | R58 R59 N64 R65 E66 | R58-V62 WeakPolarHBondContact O-CG2 3.27Å; R58-V62 PolarHBondContact O-N 2.79Å; R59-V62 PolarHBondContact O-N 3.22Å; V62-N64 PolarHBondContact O-N 2.66Å; V62-R65 PolarHBondContact O-N 3.38Å; V62-E66 WeakPolarHBondContact O-CB 3.4Å; V62-E66 PolarHBondContact O-N 2.92Å |
| 63 | S | 98.1 | Very high | 97.1 | Very high | 77 Ų | 77 | 112.8 Ų | 112.8 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 113 | R59 R60 E66 S67 | R59-S63 WeakPolarHBondContact O-CB 3.44Å; R59-S63 PolarHBondContact O-N 3.45Å; R60-S63 PolarHBondContact O-N 3.48Å; S63-E66 PolarHBondContact O-N 3.24Å; S63-S67 WeakPolarHBondContact O-CB 3.44Å; S63-S67 PolarHBondContact O-N 3.32Å; S63-S67 PolarHBondContact O-OG 3.43Å |
| 64 | N | 98.5 | Very high | 97.4 | Very high | 109 Ų | 109 | 113 Ų | 113 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.9 | -40.4 | 177.6 | -176.9 | -83.6 | 0 | 0 | 0 | 111.2 | R60 V62 E66 S67 A68 | R60-N64 VanDerWaalsContact O-CB 3.25Å; R60-N64 WeakPolarHBondContact O-CB 3.31Å; R60-N64 PolarHBondContact O-N 3.28Å; V62-N64 PolarHBondContact O-N 2.66Å; N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 2.97Å; N64-S67 WeakPolarHBondContact CA-OG 3.26Å; N64-S67 PolarHBondContact O-N 2.85Å; N64-S67 PolarHBondContact O-OG 3.46Å; N64-A68 VanDerWaalsContact O-CB 3.25Å; N64-A68 WeakPolarHBondContact O-CB 3.45Å; N64-A68 PolarHBondContact O-N 2.88Å |
| 65 | R | 98.3 | Very high | 97.6 | Very high | 202 Ų | 202 | 116.6 Ų | 116.6 | 76% | 0.762 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.4 | -45.6 | 172.6 | -177.7 | 175.8 | -178.5 | 157.3 | 0.6 | 110.9 | M61 V62 R69 | M61-R65 VanDerWaalsContact O-CB 3.25Å; M61-R65 WeakPolarHBondContact O-CB 3.41Å; M61-R65 PolarHBondContact O-N 3.34Å; V62-R65 PolarHBondContact O-N 3.38Å; R65-R69 WeakPolarHBondContact O-CB 3.02Å; R65-R69 PolarHBondContact O-N 3.49Å |
| 66 | E | 98.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 119 Ų | 119 | 21% | 0.21 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 177.4 | -177 | 57.4 | -149.5 | 0 | 0 | 112 | V62 S63 N64 R69 R70 | V62-E66 WeakPolarHBondContact O-CB 3.4Å; V62-E66 PolarHBondContact O-N 2.92Å; S63-E66 PolarHBondContact O-N 3.24Å; N64-E66 VanDerWaalsContact C-N 3.28Å; N64-E66 PolarHBondContact O-N 2.97Å; E66-R69 VanDerWaalsContact CD-CZ 3.47Å; E66-R69 PolarHBondContact O-N 2.97Å; E66-R69 IonicContact OE1-CZ 3.22Å; E66-R69 IonicContact OE1-NE 3.5Å; E66-R69 IonicContact OE1-NH2 3.43Å; E66-R69 PolarHBondContact OE1-NH2 3.05Å; E66-R69 IonicContact OE2-CZ 3.33Å; E66-R69 IonicContact OE2-NE 3.31Å; E66-R69 IonicContact OE2-NH1 3.39Å; E66-R69 PolarHBondContact OE2-NH1 3.38Å; E66-R69 IonicContact OE2-NH2 3.41Å; E66-R69 PolarHBondContact OE2-NH2 2.91Å; E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.31Å; E66-R70 IonicContact OE1-CZ 2.92Å; E66-R70 IonicContact OE1-NE 3.89Å; E66-R70 PolarHBondContact OE1-NE 2.93Å; E66-R70 IonicContact OE1-NH2 2.79Å; E66-R70 PolarHBondContact OE1-NH2 3.29Å |
| 67 | S | 98.2 | Very high | 97.8 | Very high | 56 Ų | 56 | 120 Ų | 120 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | -179.7 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | S63 N64 R70 S71 | S63-S67 WeakPolarHBondContact O-CB 3.44Å; S63-S67 PolarHBondContact O-N 3.32Å; S63-S67 PolarHBondContact O-OG 3.43Å; N64-S67 WeakPolarHBondContact CA-OG 3.26Å; N64-S67 PolarHBondContact O-N 2.85Å; N64-S67 PolarHBondContact O-OG 3.46Å; S67-R70 PolarHBondContact O-N 3.45Å; S67-S71 VanDerWaalsContact O-CB 3.32Å; S67-S71 WeakPolarHBondContact O-CB 3.26Å; S67-S71 PolarHBondContact O-N 2.99Å |
| 68 | A | 98.5 | Very high | 98 | Very high | 36 Ų | 36 | 117.3 Ų | 117.3 | 30% | 0.298 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N64 S71 R72 | N64-A68 VanDerWaalsContact O-CB 3.25Å; N64-A68 WeakPolarHBondContact O-CB 3.45Å; N64-A68 PolarHBondContact O-N 2.88Å; A68-S71 WeakPolarHBondContact O-CB 3.35Å; A68-S71 PolarHBondContact O-N 2.93Å; A68-R72 WeakPolarHBondContact O-CG 3.43Å; A68-R72 PolarHBondContact O-N 3.47Å |
| 69 | R | 98.6 | Very high | 98.1 | Very high | 144 Ų | 144 | 115.7 Ų | 115.7 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -49.7 | 174.3 | -170.6 | -174.5 | 77.4 | -148.9 | 6.3 | 111.2 | R65 E66 S71 R72 M73 | R65-R69 WeakPolarHBondContact O-CB 3.02Å; R65-R69 PolarHBondContact O-N 3.49Å; E66-R69 VanDerWaalsContact CD-CZ 3.47Å; E66-R69 PolarHBondContact O-N 2.97Å; E66-R69 IonicContact OE1-CZ 3.22Å; E66-R69 IonicContact OE1-NE 3.5Å; E66-R69 IonicContact OE1-NH2 3.43Å; E66-R69 PolarHBondContact OE1-NH2 3.05Å; E66-R69 IonicContact OE2-CZ 3.33Å; E66-R69 IonicContact OE2-NE 3.31Å; E66-R69 IonicContact OE2-NH1 3.39Å; E66-R69 PolarHBondContact OE2-NH1 3.38Å; E66-R69 IonicContact OE2-NH2 3.41Å; E66-R69 PolarHBondContact OE2-NH2 2.91Å; R69-S71 VanDerWaalsContact C-N 3.3Å; R69-S71 PolarHBondContact O-N 3.46Å; R69-R72 PolarHBondContact O-N 3.43Å; R69-M73 WeakPolarHBondContact O-CG 3.36Å; R69-M73 PolarHBondContact O-N 3.34Å |
| 70 | R | 98.6 | Very high | 98.2 | Very high | 144 Ų | 144 | 112 Ų | 112 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 177.3 | -70.8 | 177.6 | -172.7 | -162.7 | 2.8 | 112 | E66 S67 M73 R74 | E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.31Å; E66-R70 IonicContact OE1-CZ 2.92Å; E66-R70 IonicContact OE1-NE 3.89Å; E66-R70 PolarHBondContact OE1-NE 2.93Å; E66-R70 IonicContact OE1-NH2 2.79Å; E66-R70 PolarHBondContact OE1-NH2 3.29Å; S67-R70 PolarHBondContact O-N 3.45Å; R70-M73 PolarHBondContact O-N 3.41Å; R70-R74 WeakPolarHBondContact O-CG 3.46Å; R70-R74 PolarHBondContact O-N 3.24Å |
| 71 | S | 98.7 | Very high | 98.3 | Very high | 43 Ų | 43 | 109.9 Ų | 109.9 | 30% | 0.301 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 176.3 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | S67 A68 R69 M73 R74 K75 | S67-S71 VanDerWaalsContact O-CB 3.32Å; S67-S71 WeakPolarHBondContact O-CB 3.26Å; S67-S71 PolarHBondContact O-N 2.99Å; A68-S71 WeakPolarHBondContact O-CB 3.35Å; A68-S71 PolarHBondContact O-N 2.93Å; R69-S71 VanDerWaalsContact C-N 3.3Å; R69-S71 PolarHBondContact O-N 3.46Å; S71-M73 PolarHBondContact O-N 2.97Å; S71-R74 PolarHBondContact O-N 3.37Å; S71-K75 PolarHBondContact O-N 2.99Å |
| 72 | R | 98.6 | Very high | 98.4 | Very high | 197 Ų | 197 | 109.2 Ų | 109.2 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.7 | -47.2 | 174.8 | -69.9 | 177.5 | -172.7 | -170.3 | 1.5 | 111.4 | A68 R69 R74 K75 Q76 | A68-R72 WeakPolarHBondContact O-CG 3.43Å; A68-R72 PolarHBondContact O-N 3.47Å; R69-R72 PolarHBondContact O-N 3.43Å; R72-R74 PolarHBondContact O-N 3.23Å; R72-K75 PolarHBondContact O-N 3Å; R72-Q76 WeakPolarHBondContact O-CB 3.49Å; R72-Q76 PolarHBondContact O-N 3.07Å |
| 73 | M | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 108.9 Ų | 108.9 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 178.3 | -72.2 | -56.6 | -60.1 | 0 | 0 | 113 | R69 R70 S71 Q76 R77 | R69-M73 WeakPolarHBondContact O-CG 3.36Å; R69-M73 PolarHBondContact O-N 3.34Å; R70-M73 PolarHBondContact O-N 3.41Å; S71-M73 PolarHBondContact O-N 2.97Å; M73-Q76 PolarHBondContact O-N 2.91Å; M73-R77 WeakPolarHBondContact O-CG 3.44Å; M73-R77 PolarHBondContact O-N 2.98Å |
| 74 | R | 98.6 | Very high | 98.5 | Very high | 139 Ų | 139 | 108 Ų | 108 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 174.9 | -76.4 | -170.4 | -59.3 | -98.2 | 1.6 | 111.7 | R70 S71 R72 Q76 R77 Q78 | R70-R74 WeakPolarHBondContact O-CG 3.46Å; R70-R74 PolarHBondContact O-N 3.24Å; S71-R74 PolarHBondContact O-N 3.37Å; R72-R74 PolarHBondContact O-N 3.23Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 2.89Å; R74-R77 PolarHBondContact O-N 2.96Å; R74-Q78 WeakPolarHBondContact O-CG 3.3Å; R74-Q78 PolarHBondContact O-N 3.41Å |
| 75 | K | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 107.4 Ų | 107.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 176.9 | -71.4 | -174.9 | 177.7 | -171.7 | 0 | 111.6 | S71 R72 R77 Q78 L79 | S71-K75 PolarHBondContact O-N 2.99Å; R72-K75 PolarHBondContact O-N 3Å; K75-R77 PolarHBondContact O-N 3.48Å; K75-Q78 PolarHBondContact O-N 3.36Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.5Å |
| 76 | Q | 98.4 | Very high | 98.5 | Very high | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.9 | -173.9 | 59.1 | 60.2 | 0 | 0 | 111.8 | R72 M73 R74 L79 T80 | R72-Q76 WeakPolarHBondContact O-CB 3.49Å; R72-Q76 PolarHBondContact O-N 3.07Å; M73-Q76 PolarHBondContact O-N 2.91Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 2.89Å; Q76-L79 PolarHBondContact O-N 3.09Å; Q76-T80 PolarHBondContact O-N 3.44Å; Q76-T80 PolarHBondContact O-OG1 3.33Å; Q76-T80 VanDerWaalsContact O-OG1 3.08Å |
| 77 | R | 98.2 | Very high | 98.5 | Very high | 173 Ų | 173 | 103.8 Ų | 103.8 | 65% | 0.653 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 176 | -73.3 | 173.9 | -177.3 | 174 | -0.5 | 112 | M73 R74 K75 L79 T80 E81 | M73-R77 WeakPolarHBondContact O-CG 3.44Å; M73-R77 PolarHBondContact O-N 2.98Å; R74-R77 PolarHBondContact O-N 2.96Å; K75-R77 PolarHBondContact O-N 3.48Å; R77-L79 PolarHBondContact O-N 3.05Å; R77-T80 PolarHBondContact O-N 3.5Å; R77-E81 WeakPolarHBondContact O-CB 3.32Å; R77-E81 PolarHBondContact O-N 3.28Å |
| 78 | Q | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -46 | 176.8 | -70.8 | 175.7 | -40.7 | 0 | 0 | 111.3 | R74 K75 T80 E81 L82 | R74-Q78 WeakPolarHBondContact O-CG 3.3Å; R74-Q78 PolarHBondContact O-N 3.41Å; K75-Q78 PolarHBondContact O-N 3.36Å; Q78-T80 PolarHBondContact O-N 3.2Å; Q78-E81 PolarHBondContact O-N 2.84Å; Q78-L82 WeakPolarHBondContact O-CD1 3.47Å; Q78-L82 PolarHBondContact O-N 3.2Å |
| 79 | L | 98.5 | Very high | 98.5 | Very high | 99 Ų | 99 | 110.3 Ų | 110.3 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 176.6 | -71.7 | 174.3 | 0 | 0 | 0 | 112 | K75 Q76 R77 E81 L82 C83 | K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.5Å; Q76-L79 PolarHBondContact O-N 3.09Å; R77-L79 PolarHBondContact O-N 3.05Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.4Å; L79-L82 PolarHBondContact O-N 3.49Å; L79-C83 WeakPolarHBondContact O-CB 3.38Å; L79-C83 PolarHBondContact O-N 3.03Å; L79-C83 PolarHBondContact O-SG 3.2Å |
| 80 | T | 98.4 | Very high | 98.5 | Very high | 84 Ų | 84 | 111.4 Ų | 111.4 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | Q76 R77 Q78 C83 A84 | Q76-T80 PolarHBondContact O-N 3.44Å; Q76-T80 PolarHBondContact O-OG1 3.33Å; Q76-T80 VanDerWaalsContact O-OG1 3.08Å; R77-T80 PolarHBondContact O-N 3.5Å; Q78-T80 PolarHBondContact O-N 3.2Å; T80-C83 PolarHBondContact O-N 3.22Å; T80-A84 WeakPolarHBondContact O-CB 3.39Å; T80-A84 PolarHBondContact O-N 3.34Å |
| 81 | E | 98.5 | Very high | 98.5 | Very high | 114 Ų | 114 | 105.9 Ų | 105.9 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -47.6 | 176.7 | -168.9 | -174.7 | 168.8 | 0 | 0 | 111.8 | R77 Q78 L79 C83 A84 Q85 | R77-E81 WeakPolarHBondContact O-CB 3.32Å; R77-E81 PolarHBondContact O-N 3.28Å; Q78-E81 PolarHBondContact O-N 2.84Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.4Å; E81-C83 VanDerWaalsContact C-N 3.33Å; E81-C83 PolarHBondContact O-N 3.37Å; E81-A84 WeakPolarHBondContact O-CB 3.49Å; E81-A84 PolarHBondContact O-N 3.43Å; E81-Q85 WeakPolarHBondContact O-CG 3.28Å; E81-Q85 PolarHBondContact O-N 3.18Å |
| 82 | L | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 104.3 Ų | 104.3 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.3 | -88.9 | 88.7 | 0 | 0 | 0 | 111.5 | Q78 L79 A84 Q85 V86 | Q78-L82 WeakPolarHBondContact O-CD1 3.47Å; Q78-L82 PolarHBondContact O-N 3.2Å; L79-L82 PolarHBondContact O-N 3.49Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.4Å; L82-Q85 PolarHBondContact O-N 2.87Å; L82-V86 WeakPolarHBondContact O-CG2 3.49Å; L82-V86 PolarHBondContact O-N 3.42Å |
| 83 | C | 98.4 | Very high | 98.4 | Very high | 80 Ų | 80 | 99.2 Ų | 99.2 | 54% | 0.541 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.5 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | L79 T80 E81 V86 V87 | L79-C83 WeakPolarHBondContact O-CB 3.38Å; L79-C83 PolarHBondContact O-N 3.03Å; L79-C83 PolarHBondContact O-SG 3.2Å; T80-C83 PolarHBondContact O-N 3.22Å; E81-C83 VanDerWaalsContact C-N 3.33Å; E81-C83 PolarHBondContact O-N 3.37Å; C83-V86 PolarHBondContact O-N 2.91Å; C83-V87 WeakPolarHBondContact O-CG2 3.42Å; C83-V87 PolarHBondContact O-N 3.18Å |
| 84 | A | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T80 E81 L82 V87 H88 | T80-A84 WeakPolarHBondContact O-CB 3.39Å; T80-A84 PolarHBondContact O-N 3.34Å; E81-A84 WeakPolarHBondContact O-CB 3.49Å; E81-A84 PolarHBondContact O-N 3.43Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.4Å; A84-V87 PolarHBondContact O-N 3.13Å; A84-H88 WeakPolarHBondContact O-CB 3.49Å; A84-H88 PolarHBondContact O-N 3.41Å |
| 85 | Q | 98.6 | Very high | 98.4 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 175.2 | -70.1 | 178.6 | 44.6 | 0 | 0 | 111.9 | E81 L82 V87 H88 L89 | E81-Q85 WeakPolarHBondContact O-CG 3.28Å; E81-Q85 PolarHBondContact O-N 3.18Å; L82-Q85 PolarHBondContact O-N 2.87Å; Q85-V87 PolarHBondContact O-N 3.27Å; Q85-H88 PolarHBondContact O-N 3.3Å; Q85-L89 WeakPolarHBondContact O-CB 3.41Å; Q85-L89 VanDerWaalsContact O-CG 3.31Å; Q85-L89 WeakPolarHBondContact O-CG 3.5Å; Q85-L89 PolarHBondContact O-N 3.41Å |
| 86 | V | 98.5 | Very high | 98.4 | Very high | 68 Ų | 68 | 103.5 Ų | 103.5 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.2 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | L82 C83 L89 R90 | L82-V86 WeakPolarHBondContact O-CG2 3.49Å; L82-V86 PolarHBondContact O-N 3.42Å; C83-V86 PolarHBondContact O-N 2.91Å; V86-L89 PolarHBondContact O-N 2.92Å; V86-R90 HydrophobicContact CG1-CG 4.4Å; V86-R90 WeakPolarHBondContact O-CB 3.32Å; V86-R90 VanDerWaalsContact O-CG 3.27Å; V86-R90 WeakPolarHBondContact O-CG 3.45Å; V86-R90 PolarHBondContact O-N 2.91Å |
| 87 | V | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 102 Ų | 102 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | C83 A84 Q85 R90 G91 | C83-V87 WeakPolarHBondContact O-CG2 3.42Å; C83-V87 PolarHBondContact O-N 3.18Å; A84-V87 PolarHBondContact O-N 3.13Å; Q85-V87 PolarHBondContact O-N 3.27Å; V87-R90 PolarHBondContact O-N 2.93Å; V87-G91 PolarHBondContact O-N 3.41Å |
| 88 | H | 98.3 | Very high | 98.4 | Very high | 121 Ų | 121 | 96.5 Ų | 96.5 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.6 | -49.3 | 176.7 | 178.5 | 82.1 | 0 | 0 | 0 | 112 | A84 Q85 R90 G91 A92 | A84-H88 WeakPolarHBondContact O-CB 3.49Å; A84-H88 PolarHBondContact O-N 3.41Å; Q85-H88 PolarHBondContact O-N 3.3Å; H88-R90 PolarHBondContact O-N 2.9Å; H88-G91 PolarHBondContact O-N 3.45Å; H88-A92 WeakPolarHBondContact O-CB 3.38Å; H88-A92 PolarHBondContact O-N 3.33Å |
| 89 | L | 98.4 | Very high | 98.3 | Very high | 108 Ų | 108 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 179.9 | -73.2 | 173.3 | 0 | 0 | 0 | 112.1 | Q85 V86 A92 N93 | Q85-L89 WeakPolarHBondContact O-CB 3.41Å; Q85-L89 VanDerWaalsContact O-CG 3.31Å; Q85-L89 WeakPolarHBondContact O-CG 3.5Å; Q85-L89 PolarHBondContact O-N 3.41Å; V86-L89 PolarHBondContact O-N 2.92Å; L89-A92 PolarHBondContact O-N 3.22Å; L89-N93 VanDerWaalsContact O-CB 3.29Å; L89-N93 WeakPolarHBondContact O-CB 3.36Å; L89-N93 PolarHBondContact O-N 3.45Å |
| 90 | R | 98.5 | Very high | 98.3 | Very high | 168 Ų | 168 | 96.8 Ų | 96.8 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | 173.3 | -76.2 | 176 | 175.1 | -176 | -1.3 | 111.3 | V86 V87 H88 N93 R94 | V86-R90 HydrophobicContact CG1-CG 4.4Å; V86-R90 WeakPolarHBondContact O-CB 3.32Å; V86-R90 VanDerWaalsContact O-CG 3.27Å; V86-R90 WeakPolarHBondContact O-CG 3.45Å; V86-R90 PolarHBondContact O-N 2.91Å; V87-R90 PolarHBondContact O-N 2.93Å; H88-R90 PolarHBondContact O-N 2.9Å; R90-N93 PolarHBondContact O-N 3.47Å; R90-R94 PolarHBondContact O-N 3.38Å |
| 91 | G | 98.3 | Very high | 98.3 | Very high | 28 Ų | 28 | 96.1 Ų | 96.1 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V87 H88 R94 R95 | V87-G91 PolarHBondContact O-N 3.41Å; H88-G91 PolarHBondContact O-N 3.45Å; G91-R94 PolarHBondContact O-N 3.04Å; G91-R95 WeakPolarHBondContact O-CG 3.47Å; G91-R95 PolarHBondContact O-N 3.09Å; G91-R95 VanDerWaalsContact O-N 3.09Å; G91-R95 PolarHBondContact O-NH1 3.06Å |
| 92 | A | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 99.2 Ų | 99.2 | 8% | 0.083 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H88 L89 R94 R95 R96 | H88-A92 WeakPolarHBondContact O-CB 3.38Å; H88-A92 PolarHBondContact O-N 3.33Å; L89-A92 PolarHBondContact O-N 3.22Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R95 PolarHBondContact O-N 3.45Å; A92-R96 WeakPolarHBondContact O-CG 3.34Å; A92-R96 PolarHBondContact O-N 3.43Å |
| 93 | N | 98.1 | Very high | 98.3 | Very high | 90 Ų | 90 | 97.1 Ų | 97.1 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.3 | -174.1 | -77 | 0 | 0 | 0 | 111 | L89 R90 R95 R96 L97 | L89-N93 VanDerWaalsContact O-CB 3.29Å; L89-N93 WeakPolarHBondContact O-CB 3.36Å; L89-N93 PolarHBondContact O-N 3.45Å; R90-N93 PolarHBondContact O-N 3.47Å; N93-R95 PolarHBondContact O-N 2.83Å; N93-R96 PolarHBondContact O-N 3.34Å; N93-L97 WeakPolarHBondContact O-CG 3.45Å; N93-L97 PolarHBondContact O-N 2.94Å; N93-L97 WeakPolarHBondContact OD1-CD1 3.29Å |
| 94 | R | 98.2 | Very high | 98.3 | Very high | 152 Ų | 152 | 98.1 Ų | 98.1 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.7 | -46.1 | 176.4 | -179.4 | 58.4 | -172.8 | -164.8 | -3.1 | 112.5 | R90 G91 A92 R96 L97 D98 | R90-R94 PolarHBondContact O-N 3.38Å; G91-R94 PolarHBondContact O-N 3.04Å; A92-R94 VanDerWaalsContact C-N 3.35Å; R94-R96 PolarHBondContact O-N 2.85Å; R94-L97 PolarHBondContact O-N 3.22Å; R94-D98 IonicContact CZ-OD1 3.19Å; R94-D98 IonicContact NE-OD1 3.88Å; R94-D98 PolarHBondContact NE-OD1 3.07Å; R94-D98 IonicContact NE-OD2 3.73Å; R94-D98 PolarHBondContact NE-OD2 2.86Å; R94-D98 IonicContact NH2-OD1 2.78Å; R94-D98 PolarHBondContact NH2-OD1 3.28Å; R94-D98 VanDerWaalsContact O-CG 3.31Å; R94-D98 PolarHBondContact O-N 3.45Å |
| 95 | R | 98.2 | Very high | 98.3 | Very high | 137 Ų | 137 | 101.8 Ų | 101.8 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 176.7 | -70.7 | -169.2 | -59.3 | -86.5 | 3.3 | 112.2 | G91 A92 N93 L97 D98 E99 | G91-R95 WeakPolarHBondContact O-CG 3.47Å; G91-R95 PolarHBondContact O-N 3.09Å; G91-R95 VanDerWaalsContact O-N 3.09Å; G91-R95 PolarHBondContact O-NH1 3.06Å; A92-R95 PolarHBondContact O-N 3.45Å; N93-R95 PolarHBondContact O-N 2.83Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.41Å; R95-D98 PolarHBondContact O-N 2.98Å; R95-E99 WeakPolarHBondContact O-CG 3.41Å; R95-E99 PolarHBondContact O-N 3.42Å |
| 96 | R | 97.9 | Very high | 98.2 | Very high | 164 Ų | 164 | 98.6 Ų | 98.6 | 62% | 0.619 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 176.1 | -71.7 | -177.7 | -173.4 | 132.7 | -0.3 | 112.6 | A92 N93 R94 D98 E99 L100 | A92-R96 WeakPolarHBondContact O-CG 3.34Å; A92-R96 PolarHBondContact O-N 3.43Å; N93-R96 PolarHBondContact O-N 3.34Å; R94-R96 PolarHBondContact O-N 2.85Å; R96-D98 VanDerWaalsContact C-N 3.34Å; R96-E99 PolarHBondContact O-N 3.5Å; R96-L100 WeakPolarHBondContact O-CB 3.43Å; R96-L100 PolarHBondContact O-N 3.39Å |
| 97 | L | 98.3 | Very high | 98.2 | Very high | 76 Ų | 76 | 98.3 Ų | 98.3 | 40% | 0.398 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 174.3 | -72.8 | 173.8 | 0 | 0 | 0 | 111.7 | N93 R94 R95 L100 N101 | N93-L97 WeakPolarHBondContact O-CG 3.45Å; N93-L97 PolarHBondContact O-N 2.94Å; N93-L97 WeakPolarHBondContact OD1-CD1 3.29Å; R94-L97 PolarHBondContact O-N 3.22Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.41Å; L97-L100 PolarHBondContact O-N 3.24Å; L97-N101 WeakPolarHBondContact O-CB 3.39Å; L97-N101 VanDerWaalsContact O-CG 3.25Å; L97-N101 PolarHBondContact O-N 2.92Å; L97-N101 PolarHBondContact O-ND2 3.27Å |
| 98 | D | 98.3 | Very high | 98.1 | Very high | 57 Ų | 57 | 96.6 Ų | 96.6 | 31% | 0.305 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 177.1 | -67 | -29.6 | 0 | 0 | 0 | 111.5 | R94 R95 R96 N101 R102 | R94-D98 IonicContact CZ-OD1 3.19Å; R94-D98 IonicContact NE-OD1 3.88Å; R94-D98 PolarHBondContact NE-OD1 3.07Å; R94-D98 IonicContact NE-OD2 3.73Å; R94-D98 PolarHBondContact NE-OD2 2.86Å; R94-D98 IonicContact NH2-OD1 2.78Å; R94-D98 PolarHBondContact NH2-OD1 3.28Å; R94-D98 VanDerWaalsContact O-CG 3.31Å; R94-D98 PolarHBondContact O-N 3.45Å; R95-D98 PolarHBondContact O-N 2.98Å; R96-D98 VanDerWaalsContact C-N 3.34Å; D98-N101 PolarHBondContact O-N 2.97Å; D98-R102 WeakPolarHBondContact O-CG 3.47Å; D98-R102 PolarHBondContact O-N 2.95Å |
| 99 | E | 98.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.8 | -47.4 | 172.1 | -73.9 | 166.4 | -167.4 | 0 | 0 | 112 | R95 R96 N101 R102 A103 | R95-E99 WeakPolarHBondContact O-CG 3.41Å; R95-E99 PolarHBondContact O-N 3.42Å; R96-E99 PolarHBondContact O-N 3.5Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 3.38Å; E99-R102 WeakPolarHBondContact O-CB 3.37Å; E99-R102 PolarHBondContact O-N 2.91Å; E99-R102 VanDerWaalsContact O-N 3.13Å; E99-A103 PolarHBondContact O-N 3.19Å |
| 100 | L | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 176 | 179.1 | 64.3 | 0 | 0 | 0 | 111.3 | R96 L97 R102 A103 L104 | R96-L100 WeakPolarHBondContact O-CB 3.43Å; R96-L100 PolarHBondContact O-N 3.39Å; L97-L100 PolarHBondContact O-N 3.24Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 2.91Å; L100-A103 PolarHBondContact O-N 3.43Å; L100-L104 HydrophobicContact CD1-CG 4.46Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CG 3.37Å; L100-L104 PolarHBondContact O-N 2.97Å |
| 101 | N | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 92.5 Ų | 92.5 | 37% | 0.369 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -35 | 177.4 | -75.8 | -38.2 | 0 | 0 | 0 | 112.5 | L97 D98 E99 R105 | L97-N101 WeakPolarHBondContact O-CB 3.39Å; L97-N101 VanDerWaalsContact O-CG 3.25Å; L97-N101 PolarHBondContact O-N 2.92Å; L97-N101 PolarHBondContact O-ND2 3.27Å; D98-N101 PolarHBondContact O-N 2.97Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 3.38Å; N101-R105 WeakPolarHBondContact O-CG 3.27Å; N101-R105 PolarHBondContact O-N 3.42Å; N101-R105 PolarHBondContact O-NH1 3.01Å |
| 102 | R | 98.3 | Very high | 97.9 | Very high | 180 Ų | 180 | 95 Ų | 95 | 68% | 0.679 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 173 | -73.3 | 171.9 | -171.2 | -94.4 | 1.5 | 111.2 | D98 E99 L100 R105 G106 | D98-R102 WeakPolarHBondContact O-CG 3.47Å; D98-R102 PolarHBondContact O-N 2.95Å; E99-R102 WeakPolarHBondContact O-CB 3.37Å; E99-R102 PolarHBondContact O-N 2.91Å; E99-R102 VanDerWaalsContact O-N 3.13Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R102 PolarHBondContact O-N 2.91Å; R102-R105 PolarHBondContact O-N 3.26Å; R102-G106 PolarHBondContact O-N 3.42Å |
| 103 | A | 98.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E99 L100 R105 G106 C107 | E99-A103 PolarHBondContact O-N 3.19Å; L100-A103 PolarHBondContact O-N 3.43Å; A103-R105 PolarHBondContact O-N 3.31Å; A103-G106 PolarHBondContact O-N 3.5Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 2.96Å; A103-C107 VanDerWaalsContact O-SG 3.33Å |
| 104 | L | 98 | Very high | 97.8 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 176.5 | -73.8 | 172.2 | 0 | 0 | 0 | 112.6 | L100 C107 S108 | L100-L104 HydrophobicContact CD1-CG 4.46Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CG 3.37Å; L100-L104 PolarHBondContact O-N 2.97Å; L104-C107 PolarHBondContact O-N 2.78Å; L104-S108 PolarHBondContact O-N 3.47Å |
| 105 | R | 97.8 | Very high | 97.7 | Very high | 136 Ų | 136 | 92.9 Ų | 92.9 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.2 | -76.2 | -172.7 | -68.1 | -86 | 0.9 | 111.5 | N101 R102 A103 C107 S108 D109 | N101-R105 WeakPolarHBondContact O-CG 3.27Å; N101-R105 PolarHBondContact O-N 3.42Å; N101-R105 PolarHBondContact O-NH1 3.01Å; R102-R105 PolarHBondContact O-N 3.26Å; A103-R105 PolarHBondContact O-N 3.31Å; R105-C107 VanDerWaalsContact C-N 3.32Å; R105-C107 PolarHBondContact O-N 3.08Å; R105-S108 WeakPolarHBondContact O-CB 3.49Å; R105-S108 PolarHBondContact O-N 3.46Å; R105-S108 VanDerWaalsContact O-N 3.09Å; R105-D109 VanDerWaalsContact O-CG 3.26Å; R105-D109 PolarHBondContact O-N 3.33Å |
| 106 | G | 98.1 | Very high | 97.7 | Very high | 28 Ų | 28 | 91.3 Ų | 91.3 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R102 A103 D109 M110 | R102-G106 PolarHBondContact O-N 3.42Å; A103-G106 PolarHBondContact O-N 3.5Å; G106-D109 PolarHBondContact O-N 2.88Å; G106-M110 WeakPolarHBondContact O-CB 3.36Å; G106-M110 WeakPolarHBondContact O-CG 3.5Å; G106-M110 PolarHBondContact O-N 2.9Å |
| 107 | C | 97.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 87.9 Ų | 87.9 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 173.3 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | A103 L104 R105 M110 C111 | A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 2.96Å; A103-C107 VanDerWaalsContact O-SG 3.33Å; L104-C107 PolarHBondContact O-N 2.78Å; R105-C107 VanDerWaalsContact C-N 3.32Å; R105-C107 PolarHBondContact O-N 3.08Å; C107-M110 PolarHBondContact O-N 2.88Å; C107-C111 PolarHBondContact O-N 3.49Å; C107-C111 PolarHBondContact O-SG 3.3Å |
| 108 | S | 97.2 | Very high | 97.6 | Very high | 66 Ų | 66 | 87.4 Ų | 87.4 | 46% | 0.462 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 176.2 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | L104 R105 C111 C112 | L104-S108 PolarHBondContact O-N 3.47Å; R105-S108 WeakPolarHBondContact O-CB 3.49Å; R105-S108 PolarHBondContact O-N 3.46Å; R105-S108 VanDerWaalsContact O-N 3.09Å; S108-C111 PolarHBondContact O-N 3.48Å; S108-C112 PolarHBondContact O-N 3.23Å; S108-C112 PolarHBondContact O-SG 3.04Å; S108-C112 VanDerWaalsContact O-SG 3.38Å |
| 109 | D | 97.6 | Very high | 97.6 | Very high | 104 Ų | 104 | 91.4 Ų | 91.4 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 178.7 | -63.3 | -21.6 | 0 | 0 | 0 | 110.8 | R105 G106 C111 C112 E113 | R105-D109 VanDerWaalsContact O-CG 3.26Å; R105-D109 PolarHBondContact O-N 3.33Å; G106-D109 PolarHBondContact O-N 2.88Å; D109-C111 PolarHBondContact O-N 3.31Å; D109-C112 PolarHBondContact O-N 3.02Å; D109-E113 PolarHBondContact O-N 3.35Å |
| 110 | M | 96.5 | Very high | 97.5 | Very high | 126 Ų | 126 | 89.8 Ų | 89.8 | 62% | 0.621 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -40.5 | 174.6 | -73.4 | -172.1 | -59.7 | 0 | 0 | 112.5 | G106 C107 E113 N114 | G106-M110 WeakPolarHBondContact O-CB 3.36Å; G106-M110 WeakPolarHBondContact O-CG 3.5Å; G106-M110 PolarHBondContact O-N 2.9Å; C107-M110 PolarHBondContact O-N 2.88Å; M110-E113 PolarHBondContact O-N 3.34Å; M110-N114 VanDerWaalsContact O-CB 3.28Å; M110-N114 WeakPolarHBondContact O-CB 3.31Å; M110-N114 PolarHBondContact O-N 2.86Å |
| 111 | C | 97 | Very high | 97.5 | Very high | 81 Ų | 81 | 89.6 Ų | 89.6 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | C107 S108 D109 N114 A115 | C107-C111 PolarHBondContact O-N 3.49Å; C107-C111 PolarHBondContact O-SG 3.3Å; S108-C111 PolarHBondContact O-N 3.48Å; D109-C111 PolarHBondContact O-N 3.31Å; C111-N114 PolarHBondContact O-N 3.43Å; C111-A115 WeakPolarHBondContact O-CB 3.42Å; C111-A115 PolarHBondContact O-N 2.92Å |
| 112 | C | 97.1 | Very high | 97.4 | Very high | 80 Ų | 80 | 89.9 Ų | 89.9 | 54% | 0.541 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 175.7 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | S108 D109 N114 A115 R116 | S108-C112 PolarHBondContact O-N 3.23Å; S108-C112 PolarHBondContact O-SG 3.04Å; S108-C112 VanDerWaalsContact O-SG 3.38Å; D109-C112 PolarHBondContact O-N 3.02Å; C112-N114 VanDerWaalsContact C-N 3.32Å; C112-N114 PolarHBondContact O-N 3.25Å; C112-A115 PolarHBondContact O-N 2.89Å; C112-R116 PolarHBondContact O-N 3.41Å |
| 113 | E | 97.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 84.8 Ų | 84.8 | 44% | 0.444 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 176 | -78.2 | -58.9 | 142 | 0 | 0 | 111.9 | D109 M110 R116 L117 | D109-E113 PolarHBondContact O-N 3.35Å; M110-E113 PolarHBondContact O-N 3.34Å; E113-R116 WeakPolarHBondContact O-CB 3.43Å; E113-R116 PolarHBondContact O-N 3.29Å; E113-R116 IonicContact OE1-NE 3.3Å; E113-R116 IonicContact OE2-CZ 3.02Å; E113-R116 VanDerWaalsContact OE2-CZ 3.3Å; E113-R116 IonicContact OE2-NE 3.83Å; E113-R116 PolarHBondContact OE2-NE 2.91Å; E113-R116 IonicContact OE2-NH2 2.65Å; E113-R116 PolarHBondContact OE2-NH2 2.88Å; E113-L117 WeakPolarHBondContact O-CG 3.43Å; E113-L117 PolarHBondContact O-N 3.31Å |
| 114 | N | 96.8 | Very high | 97.3 | Very high | 51 Ų | 51 | 87.6 Ų | 87.6 | 27% | 0.273 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 176.8 | -159.3 | -46.6 | 0 | 0 | 0 | 111.3 | M110 C111 C112 R116 L117 Q118 F164 | M110-N114 VanDerWaalsContact O-CB 3.28Å; M110-N114 WeakPolarHBondContact O-CB 3.31Å; M110-N114 PolarHBondContact O-N 2.86Å; C111-N114 PolarHBondContact O-N 3.43Å; C112-N114 VanDerWaalsContact C-N 3.32Å; C112-N114 PolarHBondContact O-N 3.25Å; N114-R116 VanDerWaalsContact C-N 3.29Å; N114-R116 PolarHBondContact O-N 2.94Å; N114-L117 PolarHBondContact O-N 3.41Å; N114-Q118 VanDerWaalsContact O-CG 3.26Å; N114-Q118 WeakPolarHBondContact O-CG 3.39Å; N114-Q118 PolarHBondContact O-N 3.23Å; N114-Q118 WeakPolarHBondContact OD1-CG 3.35Å; N114-F164 HydrophobicContact CB-CE1 3.91Å; N114-F164 HydrophobicContact CB-CZ 4.42Å; N114-F164 WeakPolarHBondContact ND2-CE1 3.35Å; N114-F164 VanDerWaalsContact ND2-CZ 3.3Å; N114-F164 WeakPolarHBondContact ND2-CZ 3.38Å; N114-F164 VanDerWaalsContact OD1-CE1 3.26Å; N114-F164 WeakPolarHBondContact OD1-CE1 3Å; N114-F164 WeakPolarHBondContact OD1-CZ 3.33Å |
| 115 | A | 97 | Very high | 97.2 | Very high | 62 Ų | 62 | 85.9 Ų | 85.9 | 51% | 0.512 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C111 C112 Q118 K119 | C111-A115 WeakPolarHBondContact O-CB 3.42Å; C111-A115 PolarHBondContact O-N 2.92Å; C112-A115 PolarHBondContact O-N 2.89Å; A115-Q118 PolarHBondContact O-N 2.91Å; A115-K119 PolarHBondContact O-N 2.79Å |
| 116 | R | 97.9 | Very high | 97.2 | Very high | 104 Ų | 104 | 82 Ų | 82 | 39% | 0.392 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 174.5 | -173.6 | -172.9 | 66.1 | 74.1 | 3.2 | 111.7 | C112 E113 N114 Q118 K119 E120 | C112-R116 PolarHBondContact O-N 3.41Å; E113-R116 WeakPolarHBondContact O-CB 3.43Å; E113-R116 PolarHBondContact O-N 3.29Å; E113-R116 IonicContact OE1-NE 3.3Å; E113-R116 IonicContact OE2-CZ 3.02Å; E113-R116 VanDerWaalsContact OE2-CZ 3.3Å; E113-R116 IonicContact OE2-NE 3.83Å; E113-R116 PolarHBondContact OE2-NE 2.91Å; E113-R116 IonicContact OE2-NH2 2.65Å; E113-R116 PolarHBondContact OE2-NH2 2.88Å; N114-R116 VanDerWaalsContact C-N 3.29Å; N114-R116 PolarHBondContact O-N 2.94Å; R116-Q118 VanDerWaalsContact C-N 3.33Å; R116-Q118 PolarHBondContact O-N 3.49Å; R116-K119 WeakPolarHBondContact O-CB 3.39Å; R116-K119 PolarHBondContact O-N 3.48Å; R116-E120 IonicContact CZ-OE1 2.76Å; R116-E120 IonicContact NH1-OE1 2.68Å; R116-E120 PolarHBondContact NH1-OE1 3.4Å; R116-E120 IonicContact NH1-OE2 2.83Å; R116-E120 PolarHBondContact NH1-OE2 3.32Å; R116-E120 PolarHBondContact O-N 3.43Å |
| 117 | L | 97.2 | Very high | 97.1 | Very high | 92 Ų | 92 | 86.4 Ų | 86.4 | 48% | 0.482 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 178.8 | -71.3 | 173.5 | 0 | 0 | 0 | 112.2 | E113 N114 E120 K121 | E113-L117 WeakPolarHBondContact O-CG 3.43Å; E113-L117 PolarHBondContact O-N 3.31Å; N114-L117 PolarHBondContact O-N 3.41Å; L117-E120 PolarHBondContact O-N 3.04Å; L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.48Å; L117-K121 PolarHBondContact O-N 3.27Å |
| 118 | Q | 96.8 | Very high | 97 | Very high | 67 Ų | 67 | 88.8 Ų | 88.8 | 31% | 0.313 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 174.6 | -69.7 | -71.7 | 11.2 | 0 | 0 | 111.3 | N114 A115 R116 K121 T122 | N114-Q118 VanDerWaalsContact O-CG 3.26Å; N114-Q118 WeakPolarHBondContact O-CG 3.39Å; N114-Q118 PolarHBondContact O-N 3.23Å; N114-Q118 WeakPolarHBondContact OD1-CG 3.35Å; A115-Q118 PolarHBondContact O-N 2.91Å; R116-Q118 VanDerWaalsContact C-N 3.33Å; R116-Q118 PolarHBondContact O-N 3.49Å; Q118-K121 WeakPolarHBondContact O-CB 3.42Å; Q118-K121 PolarHBondContact O-N 2.92Å; Q118-T122 WeakPolarHBondContact O-CG2 3.39Å; Q118-T122 PolarHBondContact O-N 3.27Å; Q118-T122 PolarHBondContact O-OG1 3.39Å |
| 119 | K | 97.4 | Very high | 97 | Very high | 140 Ų | 140 | 91 Ų | 91 | 61% | 0.609 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -47.7 | 174.5 | -175.5 | -177.6 | 176.6 | -175.4 | 0 | 111.6 | A115 R116 K121 T122 D123 | A115-K119 PolarHBondContact O-N 2.79Å; R116-K119 WeakPolarHBondContact O-CB 3.39Å; R116-K119 PolarHBondContact O-N 3.48Å; K119-K121 VanDerWaalsContact C-N 3.32Å; K119-K121 PolarHBondContact O-N 3.39Å; K119-T122 WeakPolarHBondContact CA-OG1 3.31Å; K119-T122 PolarHBondContact O-N 3Å; K119-T122 PolarHBondContact O-OG1 2.83Å; K119-D123 VanDerWaalsContact O-CG 3.29Å; K119-D123 PolarHBondContact O-N 2.68Å |
| 120 | E | 97.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.9 | -74.5 | 175.2 | -173.5 | 0 | 0 | 111.9 | R116 L117 D123 L124 | R116-E120 IonicContact CZ-OE1 2.76Å; R116-E120 IonicContact NH1-OE1 2.68Å; R116-E120 PolarHBondContact NH1-OE1 3.4Å; R116-E120 IonicContact NH1-OE2 2.83Å; R116-E120 PolarHBondContact NH1-OE2 3.32Å; R116-E120 PolarHBondContact O-N 3.43Å; L117-E120 PolarHBondContact O-N 3.04Å; E120-D123 PolarHBondContact O-N 2.76Å; E120-L124 WeakPolarHBondContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 2.9Å |
| 121 | K | 97.5 | Very high | 96.8 | Very high | 93 Ų | 93 | 93.8 Ų | 93.8 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 173.5 | 178.9 | -173 | 174.9 | -176.3 | 0 | 111.3 | L117 Q118 K119 D123 L124 S125 | L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.48Å; L117-K121 PolarHBondContact O-N 3.27Å; Q118-K121 WeakPolarHBondContact O-CB 3.42Å; Q118-K121 PolarHBondContact O-N 2.92Å; K119-K121 VanDerWaalsContact C-N 3.32Å; K119-K121 PolarHBondContact O-N 3.39Å; K121-D123 VanDerWaalsContact C-N 3.32Å; K121-D123 PolarHBondContact O-N 2.84Å; K121-L124 PolarHBondContact O-N 3.5Å; K121-S125 WeakPolarHBondContact O-CB 3.44Å; K121-S125 PolarHBondContact O-N 3.37Å; K121-S125 PolarHBondContact O-OG 2.88Å; K121-S125 VanDerWaalsContact O-OG 3.13Å |
| 122 | T | 96.9 | Very high | 96.6 | Very high | 75 Ų | 75 | 92.7 Ų | 92.7 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | Q118 K119 S125 T126 | Q118-T122 WeakPolarHBondContact O-CG2 3.39Å; Q118-T122 PolarHBondContact O-N 3.27Å; Q118-T122 PolarHBondContact O-OG1 3.39Å; K119-T122 WeakPolarHBondContact CA-OG1 3.31Å; K119-T122 PolarHBondContact O-N 3Å; K119-T122 PolarHBondContact O-OG1 2.83Å; T122-S125 PolarHBondContact O-N 3.03Å; T122-T126 VanDerWaalsContact O-CG2 3.27Å; T122-T126 WeakPolarHBondContact O-CG2 3.38Å; T122-T126 PolarHBondContact O-N 3.27Å; T122-T126 PolarHBondContact O-OG1 3.08Å |
| 123 | D | 97 | Very high | 96.3 | Very high | 73 Ų | 73 | 94.1 Ų | 94.1 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 177.3 | -71.2 | -13 | 0 | 0 | 0 | 111.6 | K119 E120 K121 T126 K127 | K119-D123 VanDerWaalsContact O-CG 3.29Å; K119-D123 PolarHBondContact O-N 2.68Å; E120-D123 PolarHBondContact O-N 2.76Å; K121-D123 VanDerWaalsContact C-N 3.32Å; K121-D123 PolarHBondContact O-N 2.84Å; D123-T126 PolarHBondContact O-OG1 2.81Å; D123-K127 VanDerWaalsContact O-CG 3.25Å; D123-K127 WeakPolarHBondContact O-CG 3.43Å; D123-K127 PolarHBondContact O-N 2.72Å; D123-K127 VanDerWaalsContact O-N 3.17Å |
| 124 | L | 97.2 | Very high | 96 | Very high | 114 Ų | 114 | 92.5 Ų | 92.5 | 60% | 0.597 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.9 | -42.3 | 175.8 | -70.1 | 174.9 | 0 | 0 | 0 | 112.1 | E120 K121 T126 K127 L128 | E120-L124 WeakPolarHBondContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.42Å; E120-L124 PolarHBondContact O-N 2.9Å; K121-L124 PolarHBondContact O-N 3.5Å; L124-T126 PolarHBondContact O-N 3.39Å; L124-K127 PolarHBondContact O-N 2.95Å; L124-L128 WeakPolarHBondContact O-CB 3.25Å; L124-L128 PolarHBondContact O-N 2.83Å |
| 125 | S | 96.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 96 Ų | 96 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | K121 T122 L128 E129 | K121-S125 WeakPolarHBondContact O-CB 3.44Å; K121-S125 PolarHBondContact O-N 3.37Å; K121-S125 PolarHBondContact O-OG 2.88Å; K121-S125 VanDerWaalsContact O-OG 3.13Å; T122-S125 PolarHBondContact O-N 3.03Å; S125-L128 PolarHBondContact O-N 3.4Å; S125-E129 WeakPolarHBondContact O-CB 3.25Å; S125-E129 PolarHBondContact O-N 3.19Å |
| 126 | T | 96.4 | Very high | 95 | Very high | 54 Ų | 54 | 98 Ų | 98 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | T122 D123 L124 R130 | T122-T126 VanDerWaalsContact O-CG2 3.27Å; T122-T126 WeakPolarHBondContact O-CG2 3.38Å; T122-T126 PolarHBondContact O-N 3.27Å; T122-T126 PolarHBondContact O-OG1 3.08Å; D123-T126 PolarHBondContact O-OG1 2.81Å; L124-T126 PolarHBondContact O-N 3.39Å; T126-R130 VanDerWaalsContact O-CG 3.27Å; T126-R130 WeakPolarHBondContact O-CG 3.33Å; T126-R130 PolarHBondContact O-N 2.89Å |
| 127 | K | 96.5 | Very high | 94.2 | Very high | 121 Ų | 121 | 97.2 Ų | 97.2 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 172.5 | -75.4 | 171.1 | -174.4 | 175.1 | 0 | 111.8 | D123 L124 R130 L131 | D123-K127 VanDerWaalsContact O-CG 3.25Å; D123-K127 WeakPolarHBondContact O-CG 3.43Å; D123-K127 PolarHBondContact O-N 2.72Å; D123-K127 VanDerWaalsContact O-N 3.17Å; L124-K127 PolarHBondContact O-N 2.95Å; K127-R130 PolarHBondContact O-N 3.44Å; K127-L131 WeakPolarHBondContact O-CG 3.43Å; K127-L131 PolarHBondContact O-N 3.38Å |
| 128 | L | 96.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 177.8 | -175.2 | 67.9 | 0 | 0 | 0 | 110.8 | L124 S125 R130 L131 T132 | L124-L128 WeakPolarHBondContact O-CB 3.25Å; L124-L128 PolarHBondContact O-N 2.83Å; S125-L128 PolarHBondContact O-N 3.4Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 2.97Å; L128-L131 PolarHBondContact O-N 2.75Å; L128-L131 VanDerWaalsContact O-N 3.15Å; L128-T132 PolarHBondContact O-N 3.2Å; L128-T132 PolarHBondContact O-OG1 2.83Å |
| 129 | E | 95.4 | Very high | 91.6 | Very high | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 177.5 | -169.2 | -173.6 | 172.8 | 0 | 0 | 111.8 | S125 L131 T132 Q133 | S125-E129 WeakPolarHBondContact O-CB 3.25Å; S125-E129 PolarHBondContact O-N 3.19Å; E129-L131 VanDerWaalsContact C-N 3.35Å; E129-L131 PolarHBondContact O-N 2.78Å; E129-T132 PolarHBondContact O-N 3.44Å; E129-Q133 HydrophobicContact CG-CG 4.5Å; E129-Q133 WeakPolarHBondContact O-CB 3.41Å; E129-Q133 VanDerWaalsContact O-CG 3.24Å; E129-Q133 WeakPolarHBondContact O-CG 3.25Å; E129-Q133 PolarHBondContact O-N 3.01Å; E129-Q133 PolarHBondContact OE1-NE2 3.23Å |
| 130 | R | 95.1 | Very high | 89.5 | Confident | 166 Ų | 166 | 96.4 Ų | 96.4 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 175.2 | -73.3 | 172.9 | -174.4 | 160.9 | 4.4 | 112.6 | T126 K127 L128 A134 | T126-R130 VanDerWaalsContact O-CG 3.27Å; T126-R130 WeakPolarHBondContact O-CG 3.33Å; T126-R130 PolarHBondContact O-N 2.89Å; K127-R130 PolarHBondContact O-N 3.44Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 2.97Å; R130-A134 WeakPolarHBondContact O-CB 3.41Å; R130-A134 PolarHBondContact O-N 2.93Å |
| 131 | L | 94.9 | Very high | 87.4 | Confident | 122 Ų | 122 | 96.9 Ų | 96.9 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 177.4 | -70.7 | 173.5 | 0 | 0 | 0 | 111.5 | K127 L128 E129 A134 Q135 | K127-L131 WeakPolarHBondContact O-CG 3.43Å; K127-L131 PolarHBondContact O-N 3.38Å; L128-L131 PolarHBondContact O-N 2.75Å; L128-L131 VanDerWaalsContact O-N 3.15Å; E129-L131 VanDerWaalsContact C-N 3.35Å; E129-L131 PolarHBondContact O-N 2.78Å; L131-A134 PolarHBondContact O-N 2.77Å; L131-Q135 WeakPolarHBondContact O-CB 3.34Å; L131-Q135 PolarHBondContact O-N 2.81Å |
| 132 | T | 93.3 | Very high | 85 | Confident | 59 Ų | 59 | 97.6 Ų | 97.6 | 36% | 0.362 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64 | -41.6 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | L128 E129 Q135 N136 | L128-T132 PolarHBondContact O-N 3.2Å; L128-T132 PolarHBondContact O-OG1 2.83Å; E129-T132 PolarHBondContact O-N 3.44Å; T132-Q135 PolarHBondContact O-N 3.31Å; T132-N136 WeakPolarHBondContact O-CB 3.4Å; T132-N136 PolarHBondContact O-N 2.94Å; T132-N136 PolarHBondContact O-ND2 3.46Å |
| 133 | Q | 91.5 | Very high | 82.9 | Confident | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.6 | -43.5 | 174.4 | -73.4 | 173.6 | 8.9 | 0 | 0 | 111.5 | E129 N136 A137 | E129-Q133 HydrophobicContact CG-CG 4.5Å; E129-Q133 WeakPolarHBondContact O-CB 3.41Å; E129-Q133 VanDerWaalsContact O-CG 3.24Å; E129-Q133 WeakPolarHBondContact O-CG 3.25Å; E129-Q133 PolarHBondContact O-N 3.01Å; E129-Q133 PolarHBondContact OE1-NE2 3.23Å; Q133-N136 PolarHBondContact O-N 3.47Å; Q133-A137 WeakPolarHBondContact O-CB 3.49Å; Q133-A137 PolarHBondContact O-N 2.94Å |
| 134 | A | 90.2 | Very high | 81 | Confident | 61 Ų | 61 | 100.9 Ų | 100.9 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R130 L131 A137 A138 | R130-A134 WeakPolarHBondContact O-CB 3.41Å; R130-A134 PolarHBondContact O-N 2.93Å; L131-A134 PolarHBondContact O-N 2.77Å; A134-A137 PolarHBondContact O-N 2.91Å; A134-A138 PolarHBondContact O-N 3.25Å; A134-A138 VanDerWaalsContact O-N 3.15Å |
| 135 | Q | 89.7 | Confident | 79.2 | Confident | 124 Ų | 124 | 104.2 Ų | 104.2 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.5 | -48.7 | 174.8 | -175.4 | 176.4 | 10.7 | 0 | 0 | 111.4 | L131 T132 A137 A138 T139 | L131-Q135 WeakPolarHBondContact O-CB 3.34Å; L131-Q135 PolarHBondContact O-N 2.81Å; T132-Q135 PolarHBondContact O-N 3.31Å; Q135-A137 VanDerWaalsContact C-N 3.27Å; Q135-A137 PolarHBondContact O-N 2.76Å; Q135-A138 PolarHBondContact O-N 2.82Å; Q135-T139 PolarHBondContact O-N 3.3Å; Q135-T139 PolarHBondContact O-OG1 3.45Å; Q135-T139 VanDerWaalsContact O-OG1 3.09Å |
| 136 | N | 84.5 | Confident | 77.2 | Confident | 105 Ų | 105 | 106.9 Ų | 106.9 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.6 | -33.5 | 178.7 | -69 | -16.4 | 0 | 0 | 0 | 112.6 | T132 Q133 | T132-N136 WeakPolarHBondContact O-CB 3.4Å; T132-N136 PolarHBondContact O-N 2.94Å; T132-N136 PolarHBondContact O-ND2 3.46Å; Q133-N136 PolarHBondContact O-N 3.47Å |
| 137 | A | 80.7 | Confident | 75.5 | Confident | 86 Ų | 86 | 112.5 Ų | 112.5 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.4 | -30.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q133 A134 Q135 | Q133-A137 WeakPolarHBondContact O-CB 3.49Å; Q133-A137 PolarHBondContact O-N 2.94Å; A134-A137 PolarHBondContact O-N 2.91Å; Q135-A137 VanDerWaalsContact C-N 3.27Å; Q135-A137 PolarHBondContact O-N 2.76Å |
| 138 | A | 75.4 | Confident | 73.8 | Confident | 79 Ų | 79 | 113.5 Ų | 113.5 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82 | -22.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A134 Q135 | A134-A138 PolarHBondContact O-N 3.25Å; A134-A138 VanDerWaalsContact O-N 3.15Å; Q135-A138 PolarHBondContact O-N 2.82Å |
| 139 | T | 63.6 | Low | 72.6 | Confident | 75 Ų | 75 | 114.7 Ų | 114.7 | 46% | 0.46 | 66% | 0.656 | S | S | . | * | trans | -125.9 | 92.7 | -178.9 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | Q135 S141 | Q135-T139 PolarHBondContact O-N 3.3Å; Q135-T139 PolarHBondContact O-OG1 3.45Å; Q135-T139 VanDerWaalsContact O-OG1 3.09Å; T139-S141 VanDerWaalsContact C-N 3.27Å; T139-S141 PolarHBondContact O-N 3.03Å | ||
| 140 | P | 52.9 | Low | 71.4 | Confident | 128 Ų | 128 | 113.7 Ų | 113.7 | 83% | 0.831 | 66% | 0.657 | S | S | * | * | trans | -79.9 | 76.5 | 169.8 | 32.6 | -31.5 | 0 | 0 | 0 | 109.4 | ||||
| 141 | S | 53.2 | Low | 70.3 | Confident | 98 Ų | 98 | 111 Ų | 111 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | trans | -159 | 111.4 | 166.6 | 67.3 | 0 | 0 | 0 | 0 | 114.3 | T139 | T139-S141 VanDerWaalsContact C-N 3.27Å; T139-S141 PolarHBondContact O-N 3.03Å | ||
| 142 | S | 48.3 | Very low | 69.3 | Low | 109 Ų | 109 | 108.3 Ų | 108.3 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | trans | 60.5 | 114.7 | 134.8 | -176.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 143 | S | 53.2 | Low | 68.5 | Low | 104 Ų | 104 | 111.5 Ų | 111.5 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | 72.7 | 114.8 | 146.4 | 69 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 144 | S | 56.4 | Low | 67.8 | Low | 112 Ų | 112 | 111.7 Ų | 111.7 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | 151.7 | 124.6 | 105 | 63.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 145 | E | 59.1 | Low | 67.2 | Low | 185 Ų | 185 | 113.3 Ų | 113.3 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | 61 | 135.8 | 149.7 | -69.2 | -168.3 | 152.4 | 0 | 0 | 124.9 | ||||
| 146 | P | 54.6 | Low | 66.7 | Low | 120 Ų | 120 | 112.7 Ų | 112.7 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | trans | -95.6 | 120.5 | 179.6 | 35.9 | -28.6 | 0 | 0 | 0 | 113.4 | ||||
| 147 | Q | 60.9 | Low | 66.5 | Low | 172 Ų | 172 | 114.4 Ų | 114.4 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -100.3 | 18.7 | 171.8 | -68.7 | -165.4 | -24.8 | 0 | 0 | 114 | D149 | Q147-D149 PolarHBondContact O-N 3.43Š| ||
| 148 | H | 60.9 | Low | 66.4 | Low | 143 Ų | 143 | 115.6 Ų | 115.6 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.4 | -16.4 | -165.3 | -126.9 | -78.4 | 0 | 0 | 0 | 115.2 | T152 | H148-T152 WeakPolarHBondContact O-CB 3.47Å; H148-T152 PolarHBondContact O-N 3.21Å; H148-T152 PolarHBondContact O-OG1 2.84Å |
| 149 | D | 70.1 | Confident | 66.5 | Low | 137 Ų | 137 | 116.1 Ų | 116.1 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -78.3 | -36.7 | -168.9 | -66.1 | -15.9 | 0 | 0 | 0 | 113.7 | Q147 L153 | Q147-D149 PolarHBondContact O-N 3.43Å; D149-L153 WeakPolarHBondContact O-CB 3.41Å; D149-L153 PolarHBondContact O-N 2.87Å |
| 150 | T | 71.9 | Confident | 67 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 56% | 0.564 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.7 | -40.1 | -176.9 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | L153 L154 | T150-L153 PolarHBondContact O-N 3.49Å; T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 2.9Å |
| 151 | L | 72.1 | Confident | 68.2 | Low | 110 Ų | 110 | 119 Ų | 119 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.7 | -41.3 | 177.5 | -61.2 | -166.1 | 0 | 0 | 0 | 111.5 | L153 L154 L155 | L151-L153 VanDerWaalsContact C-N 3.32Å; L151-L153 PolarHBondContact O-N 2.97Å; L151-L154 PolarHBondContact O-N 3.35Å; L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 WeakPolarHBondContact O-CD1 3.47Å; L151-L155 PolarHBondContact O-N 2.95Å |
| 152 | T | 73.1 | Confident | 68.9 | Low | 66 Ų | 66 | 120 Ų | 120 | 41% | 0.405 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.6 | -40.7 | 177.2 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | H148 L155 N156 | H148-T152 WeakPolarHBondContact O-CB 3.47Å; H148-T152 PolarHBondContact O-N 3.21Å; H148-T152 PolarHBondContact O-OG1 2.84Å; T152-L155 PolarHBondContact O-N 3.43Å; T152-N156 PolarHBondContact O-N 3.22Å |
| 153 | L | 75.9 | Confident | 69.6 | Low | 126 Ų | 126 | 119.8 Ų | 119.8 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.5 | -40.3 | 175.8 | -165 | 73.7 | 0 | 0 | 0 | 112.4 | D149 T150 L151 N156 K157 | D149-L153 WeakPolarHBondContact O-CB 3.41Å; D149-L153 PolarHBondContact O-N 2.87Å; T150-L153 PolarHBondContact O-N 3.49Å; L151-L153 VanDerWaalsContact C-N 3.32Å; L151-L153 PolarHBondContact O-N 2.97Å; L153-N156 PolarHBondContact O-N 3.15Å; L153-K157 WeakPolarHBondContact O-CB 3.32Å; L153-K157 PolarHBondContact O-N 3.45Å |
| 154 | L | 78.2 | Confident | 69.8 | Low | 113 Ų | 113 | 122.7 Ų | 122.7 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.9 | -41.9 | 176.2 | -82.3 | 166.8 | 0 | 0 | 0 | 112.3 | T150 L151 K157 F158 | T150-L154 WeakPolarHBondContact O-CG 3.4Å; T150-L154 PolarHBondContact O-N 2.9Å; L151-L154 PolarHBondContact O-N 3.35Å; L154-K157 PolarHBondContact O-N 2.88Å; L154-F158 WeakPolarHBondContact O-CB 3.38Å; L154-F158 PolarHBondContact O-N 3.12Å |
| 155 | L | 76.5 | Confident | 70.5 | Confident | 96 Ų | 96 | 123.3 Ų | 123.3 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.7 | -46.3 | 174.3 | -97.6 | 137.4 | 0 | 0 | 0 | 111.6 | L151 T152 K157 F158 N159 | L151-L155 WeakPolarHBondContact O-CB 3.38Å; L151-L155 WeakPolarHBondContact O-CD1 3.47Å; L151-L155 PolarHBondContact O-N 2.95Å; T152-L155 PolarHBondContact O-N 3.43Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 3.47Å; L155-F158 PolarHBondContact O-N 3.25Å; L155-N159 PolarHBondContact O-N 3.08Å |
| 156 | N | 78.5 | Confident | 71 | Confident | 110 Ų | 110 | 120 Ų | 120 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.3 | -41.3 | 175.5 | -97.8 | -15 | 0 | 0 | 0 | 112.2 | T152 L153 F158 N159 L160 | T152-N156 PolarHBondContact O-N 3.22Å; L153-N156 PolarHBondContact O-N 3.15Å; N156-F158 VanDerWaalsContact C-N 3.35Å; N156-F158 PolarHBondContact O-N 3.31Å; N156-N159 PolarHBondContact O-N 3.4Å; N156-L160 PolarHBondContact O-N 3.1Å |
| 157 | K | 80.4 | Confident | 72 | Confident | 141 Ų | 141 | 120 Ų | 120 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.9 | -36.9 | 178.6 | -164.1 | 169.6 | -175.5 | 177.4 | 0 | 112.1 | L153 L154 L155 L160 I161 | L153-K157 WeakPolarHBondContact O-CB 3.32Å; L153-K157 PolarHBondContact O-N 3.45Å; L154-K157 PolarHBondContact O-N 2.88Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 3.47Å; K157-L160 PolarHBondContact O-N 3Å; K157-I161 HydrophobicContact CG-CD1 4.4Å; K157-I161 WeakPolarHBondContact O-CG1 3.4Å; K157-I161 PolarHBondContact O-N 3.27Å |
| 158 | F | 78.8 | Confident | 72.6 | Confident | 112 Ų | 112 | 116.9 Ų | 116.9 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -42.3 | 177.2 | -157 | -86.7 | 0 | 0 | 0 | 111.8 | L154 L155 N156 L160 I161 F162 | L154-F158 WeakPolarHBondContact O-CB 3.38Å; L154-F158 PolarHBondContact O-N 3.12Å; L155-F158 PolarHBondContact O-N 3.25Å; N156-F158 VanDerWaalsContact C-N 3.35Å; N156-F158 PolarHBondContact O-N 3.31Å; F158-L160 VanDerWaalsContact C-N 3.26Å; F158-L160 PolarHBondContact O-N 2.96Å; F158-I161 PolarHBondContact O-N 2.86Å; F158-F162 HydrophobicContact CD1-CD2 4.45Å; F158-F162 HydrophobicContact CE1-CD2 4.09Å; F158-F162 HydrophobicContact CZ-CD2 4.18Å; F158-F162 PolarHBondContact O-N 3.5Å |
| 159 | N | 77.2 | Confident | 73.3 | Confident | 90 Ų | 90 | 115.3 Ų | 115.3 | 48% | 0.481 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.9 | -23.7 | -179.8 | -141 | 12.2 | 0 | 0 | 0 | 113 | L155 N156 F162 P163 | L155-N159 PolarHBondContact O-N 3.08Å; N156-N159 PolarHBondContact O-N 3.4Å; N159-F162 CarbonylContact O-C 3.5Å; N159-P163 WeakPolarHBondContact O-CA 3.44Å |
| 160 | L | 75.4 | Confident | 73.6 | Confident | 153 Ų | 153 | 113.9 Ų | 113.9 | 80% | 0.801 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.6 | -31.3 | 175.7 | -155.1 | 77 | 0 | 0 | 0 | 112.8 | N156 K157 F158 | N156-L160 PolarHBondContact O-N 3.1Å; K157-L160 PolarHBondContact O-N 3Å; F158-L160 VanDerWaalsContact C-N 3.26Å; F158-L160 PolarHBondContact O-N 2.96Å |
| 161 | I | 77 | Confident | 73.7 | Confident | 109 Ų | 109 | 115.4 Ų | 115.4 | 56% | 0.559 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -82.7 | -36.1 | -180 | -63.3 | 166.4 | 0 | 0 | 0 | 110.6 | K157 F158 | K157-I161 HydrophobicContact CG-CD1 4.4Å; K157-I161 WeakPolarHBondContact O-CG1 3.4Å; K157-I161 PolarHBondContact O-N 3.27Å; F158-I161 PolarHBondContact O-N 2.86Å |
| 162 | F | 67.7 | Low | 73.8 | Confident | 119 Ų | 119 | 115.8 Ų | 115.8 | 52% | 0.522 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -124.3 | 79.8 | 177.4 | -60.7 | -76.4 | 0 | 0 | 0 | 109 | F158 N159 F164 | F158-F162 HydrophobicContact CD1-CD2 4.45Å; F158-F162 HydrophobicContact CE1-CD2 4.09Å; F158-F162 HydrophobicContact CZ-CD2 4.18Å; F158-F162 PolarHBondContact O-N 3.5Å; N159-F162 CarbonylContact O-C 3.5Å; F162-F164 PolarHBondContact O-N 3.08Å |
| 163 | P | 64.3 | Low | 73.9 | Confident | 105 Ų | 105 | 120 Ų | 120 | 68% | 0.682 | 60% | 0.602 | S | S | * | * | trans | -64 | 120.5 | 171.1 | 27.1 | -31.7 | 0 | 0 | 0 | 107.8 | N159 | N159-P163 WeakPolarHBondContact O-CA 3.44Š| ||
| 164 | F | 56.7 | Low | 73.7 | Confident | 166 Ų | 166 | 119.5 Ų | 119.5 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | trans | -72.2 | 0 | 166.7 | -69.3 | -77.3 | 0 | 0 | 0 | 110.8 | N114 F162 | N114-F164 HydrophobicContact CB-CE1 3.91Å; N114-F164 HydrophobicContact CB-CZ 4.42Å; N114-F164 WeakPolarHBondContact ND2-CE1 3.35Å; N114-F164 VanDerWaalsContact ND2-CZ 3.3Å; N114-F164 WeakPolarHBondContact ND2-CZ 3.38Å; N114-F164 VanDerWaalsContact OD1-CE1 3.26Å; N114-F164 WeakPolarHBondContact OD1-CE1 3Å; N114-F164 WeakPolarHBondContact OD1-CZ 3.33Å; F162-F164 PolarHBondContact O-N 3.08Å |
Retrieved 164 of 164 residues in 25.8 ms
(Link to these results)