| 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 | 38 | Very low | 41.2 | Very low | 243 Ų | 243 | 145.2 Ų | 145.2 | 100% | 1.197 | 83% | 0.829 | S | S | * | * | 0 | 106.7 | 0 | -95.5 | 114.2 | 87.4 | 0 | 0 | 107.9 | |||||
| 2 | N | 40 | Very low | 41 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -141.3 | 96.2 | 176.4 | 35.3 | -5.9 | 0 | 0 | 0 | 105.4 | ||||
| 3 | E | 37.1 | Very low | 40.6 | Very low | 203 Ų | 203 | 138.2 Ų | 138.2 | 95% | 0.949 | 82% | 0.818 | S | S | * | * | trans | -58.8 | 131.4 | 170.6 | -87.3 | 174.1 | 83.7 | 0 | 0 | 109.6 | ||||
| 4 | S | 44.7 | Very low | 41.1 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -120.9 | 123.9 | 168 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 5 | P | 46.3 | Very low | 41.3 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -98.1 | 123.2 | 161.8 | 19.4 | -2.5 | 0 | 0 | 0 | 110.4 | ||||
| 6 | D | 45.3 | Very low | 41.3 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -86.7 | 177.9 | 158 | -149 | 10.2 | 0 | 0 | 0 | 107.7 | ||||
| 7 | P | 49 | Very low | 41 | Very low | 92 Ų | 92 | 144 Ų | 144 | 60% | 0.597 | 82% | 0.818 | S | S | * | * | cis | -138.1 | -167.3 | -9.7 | 31.7 | -7.2 | 0 | 0 | 0 | 113.8 | ||||
| 8 | T | 38.8 | Very low | 40.8 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 72.7 | 142.2 | 163.3 | 57.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 9 | D | 35.8 | Very low | 41 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | cis | -168.6 | 151.7 | 19.8 | -143.1 | -7 | 0 | 0 | 0 | 111.7 | ||||
| 10 | L | 40 | Very low | 40.9 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | 39.2 | 129.2 | 147.7 | -74.6 | 164 | 0 | 0 | 0 | 125.1 | ||||
| 11 | A | 38.1 | Very low | 40.6 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 137.1 | 133.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 12 | G | 38.8 | Very low | 40.7 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 172.1 | 145.7 | 9.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 13 | V | 35.9 | Very low | 41.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -8.6 | 127.2 | 163.8 | 172.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 14 | I | 47.4 | Very low | 41.1 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -142.8 | 121.4 | 130.7 | -58.2 | -171.9 | 0 | 0 | 0 | 109.3 | ||||
| 15 | I | 44.2 | Very low | 41.1 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -84.8 | 126.8 | 171.3 | -63.8 | 167.8 | 0 | 0 | 0 | 107.3 | ||||
| 16 | E | 41.8 | Very low | 41 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -110 | 115.8 | 165.9 | -110 | -96.2 | 124.2 | 0 | 0 | 108.7 | ||||
| 17 | L | 35.5 | Very low | 40.6 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -95.2 | 106 | -175.1 | 174.5 | 72.5 | 0 | 0 | 0 | 108.2 | ||||
| 18 | G | 36.8 | Very low | 40.1 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -108.9 | 122.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 19 | P | 44.7 | Very low | 40.3 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -90.2 | 136.6 | 178.7 | 34.7 | -28.6 | 0 | 0 | 0 | 110 | ||||
| 20 | N | 39 | Very low | 40.6 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -169.8 | 96.3 | 151.8 | -91.3 | -33.2 | 0 | 0 | 0 | 110.6 | ||||
| 21 | D | 35.8 | Very low | 40.8 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | 43.8 | 115.3 | 127.9 | -49.5 | -18.9 | 0 | 0 | 0 | 120.4 | |||||
| 22 | S | 39.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -62.4 | -175.6 | 170 | -161.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 23 | P | 48.1 | Very low | 41.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 58% | 0.578 | 78% | 0.781 | S | S | * | * | cis | -128.9 | 155.9 | -24.3 | 17.9 | 3.9 | 0 | 0 | 0 | 112.7 | ||||
| 24 | H | 37.7 | Very low | 42.8 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 91% | 0.912 | 77% | 0.771 | S | S | * | * | trans | -148 | 114.8 | 145.2 | -87 | -63.1 | 0 | 0 | 0 | 112.7 | ||||
| 25 | T | 43.8 | Very low | 43.2 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -68.7 | 124.3 | 170.3 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 26 | S | 44.6 | Very low | 43.8 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -131.7 | 94.2 | 153.4 | 58.5 | 0 | 0 | 0 | 0 | 108.6 | F28 | S26-F28 PolarHBondContact O-N 2.9Š| ||
| 27 | E | 36.7 | Very low | 44.5 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | trans | -63.8 | 103.2 | 167.5 | -71.3 | -173.1 | 103.3 | 0 | 0 | 108.7 | K29 | E27-K29 VanDerWaalsContact C-N 3.25Å; E27-K29 PolarHBondContact O-N 2.89Å | ||
| 28 | F | 39.6 | Very low | 45.8 | Very low | 199 Ų | 199 | 122.6 Ų | 122.6 | 87% | 0.873 | 71% | 0.708 | S | S | * | * | trans | -73.5 | 86.7 | 163.5 | -171.4 | -99 | 0 | 0 | 0 | 108 | S26 G30 | S26-F28 PolarHBondContact O-N 2.9Å; F28-G30 PolarHBondContact O-N 3.42Å | ||
| 29 | K | 42.6 | Very low | 47.2 | Very low | 194 Ų | 194 | 125.7 Ų | 125.7 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | -74.8 | 73.9 | 172.9 | -165.3 | 175.5 | 179.4 | -179 | 0 | 109.5 | E27 A31 | E27-K29 VanDerWaalsContact C-N 3.25Å; E27-K29 PolarHBondContact O-N 2.89Å; K29-A31 VanDerWaalsContact C-N 3.32Å; K29-A31 PolarHBondContact O-N 2.6Å | ||
| 30 | G | 42.3 | Very low | 48.2 | Very low | 53 Ų | 53 | 123.6 Ų | 123.6 | 55% | 0.546 | 69% | 0.692 | S | S | . | * | trans | -66.5 | 92.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | F28 A32 | F28-G30 PolarHBondContact O-N 3.42Å; G30-A32 PolarHBondContact O-N 3.36Å | ||
| 31 | A | 43.7 | Very low | 49.8 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | trans | -66.9 | 91.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | K29 R33 | K29-A31 VanDerWaalsContact C-N 3.32Å; K29-A31 PolarHBondContact O-N 2.6Å; A31-R33 PolarHBondContact O-N 3.35Å | ||
| 32 | A | 48.8 | Very low | 51.4 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | trans | -61.2 | 90.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | G30 V34 | G30-A32 PolarHBondContact O-N 3.36Å; A32-V34 PolarHBondContact O-N 2.95Å | ||
| 33 | R | 50.2 | Low | 52.8 | Low | 234 Ų | 234 | 115.8 Ų | 115.8 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | -69 | 90.2 | 162.7 | -78.2 | -166.7 | 165.4 | -160.5 | -3.2 | 106.5 | A31 S35 | A31-R33 PolarHBondContact O-N 3.35Å; R33-S35 VanDerWaalsContact C-N 3.32Å; R33-S35 PolarHBondContact O-N 3.3Å | ||
| 34 | V | 54.8 | Low | 53.8 | Low | 95 Ų | 95 | 121.3 Ų | 121.3 | 58% | 0.576 | 66% | 0.661 | S | S | * | * | trans | -58 | 105.6 | 160 | -167.4 | 0 | 0 | 0 | 0 | 104.8 | A32 S38 E39 | A32-V34 PolarHBondContact O-N 2.95Å; V34-S38 VanDerWaalsContact CG1-OG 3.27Å; V34-S38 WeakPolarHBondContact CG1-OG 3.17Å; V34-E39 HydrophobicContact CG1-CG 4.38Å | ||
| 35 | S | 56.2 | Low | 55.2 | Low | 50 Ų | 50 | 116.3 Ų | 116.3 | 35% | 0.35 | 64% | 0.641 | S | S | . | * | trans | -58.7 | 135.5 | -178.1 | 170.8 | 0 | 0 | 0 | 0 | 108.1 | R33 I37 S38 | R33-S35 VanDerWaalsContact C-N 3.32Å; R33-S35 PolarHBondContact O-N 3.3Å; S35-I37 PolarHBondContact O-N 3.41Å; S35-I37 WeakPolarHBondContact OG-CB 3.3Å; S35-I37 WeakPolarHBondContact OG-CG1 3.38Å; S35-I37 PolarHBondContact OG-N 3.29Å; S35-S38 PolarHBondContact O-N 3.11Å; S35-S38 PolarHBondContact O-OG 2.84Å | ||
| 36 | P | 57.4 | Low | 56.2 | Low | 107 Ų | 107 | 113.4 Ų | 113.4 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -56.8 | -18.1 | 176.8 | 22 | -31.9 | 0 | 0 | 0 | 112.4 | S40 | P36-S40 PolarHBondContact O-N 3.33Å |
| 37 | I | 57.4 | Low | 57 | Low | 115 Ų | 115 | 114.5 Ų | 114.5 | 59% | 0.59 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.7 | -40.5 | 174 | -56.1 | 175.4 | 0 | 0 | 0 | 111 | S35 S40 V41 | S35-I37 PolarHBondContact O-N 3.41Å; S35-I37 WeakPolarHBondContact OG-CB 3.3Å; S35-I37 WeakPolarHBondContact OG-CG1 3.38Å; S35-I37 PolarHBondContact OG-N 3.29Å; I37-S40 PolarHBondContact O-N 2.9Å; I37-S40 PolarHBondContact O-OG 3.47Å; I37-V41 HydrophobicContact CG2-CG2 4.41Å; I37-V41 VanDerWaalsContact O-CG2 3.29Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 2.81Å |
| 38 | S | 62.1 | Low | 58 | Low | 45 Ų | 45 | 111.7 Ų | 111.7 | 32% | 0.315 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.7 | -37 | -175.9 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | V34 S35 V41 L42 | V34-S38 VanDerWaalsContact CG1-OG 3.27Å; V34-S38 WeakPolarHBondContact CG1-OG 3.17Å; S35-S38 PolarHBondContact O-N 3.11Å; S35-S38 PolarHBondContact O-OG 2.84Å; S38-V41 PolarHBondContact O-N 2.86Å; S38-L42 WeakPolarHBondContact O-CB 3.16Å; S38-L42 WeakPolarHBondContact O-CG 3.05Å; S38-L42 PolarHBondContact O-N 2.84Å |
| 39 | E | 65 | Low | 58.9 | Low | 134 Ų | 134 | 109.1 Ų | 109.1 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.4 | -40 | 172.9 | -71.1 | -166.4 | 157.1 | 0 | 0 | 111.5 | V34 V41 L42 A43 | V34-E39 HydrophobicContact CG1-CG 4.38Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.43Å; E39-L42 PolarHBondContact O-N 3.42Å; E39-A43 WeakPolarHBondContact O-CB 3.31Å; E39-A43 PolarHBondContact O-N 2.81Å |
| 40 | S | 66.3 | Low | 59.5 | Low | 62 Ų | 62 | 103.8 Ų | 103.8 | 43% | 0.434 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.4 | -35.1 | 177.9 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | P36 I37 R44 | P36-S40 PolarHBondContact O-N 3.33Å; I37-S40 PolarHBondContact O-N 2.9Å; I37-S40 PolarHBondContact O-OG 3.47Å; S40-R44 WeakPolarHBondContact O-CB 3.25Å; S40-R44 VanDerWaalsContact O-CG 3.29Å; S40-R44 WeakPolarHBondContact O-CG 3.26Å; S40-R44 PolarHBondContact O-N 3.26Å; S40-R44 VanDerWaalsContact O-N 3.12Å |
| 41 | V | 72.8 | Confident | 60.1 | Low | 73 Ų | 73 | 107 Ų | 107 | 44% | 0.442 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.6 | -43.8 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | I37 S38 E39 R44 L45 | I37-V41 HydrophobicContact CG2-CG2 4.41Å; I37-V41 VanDerWaalsContact O-CG2 3.29Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 2.81Å; S38-V41 PolarHBondContact O-N 2.86Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.43Å; V41-R44 PolarHBondContact O-N 3.4Å; V41-L45 HydrophobicContact CG1-CD1 4.06Å; V41-L45 HydrophobicContact CG1-CG 4.47Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.38Å |
| 42 | L | 70.7 | Confident | 60.7 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -39.3 | 175.5 | -76.9 | 178 | 0 | 0 | 0 | 112.6 | S38 E39 R44 L45 S46 | S38-L42 WeakPolarHBondContact O-CB 3.16Å; S38-L42 WeakPolarHBondContact O-CG 3.05Å; S38-L42 PolarHBondContact O-N 2.84Å; E39-L42 PolarHBondContact O-N 3.42Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 3.34Å; L42-L45 PolarHBondContact O-N 2.92Å; L42-S46 VanDerWaalsContact O-CB 3.24Å; L42-S46 WeakPolarHBondContact O-CB 3.21Å; L42-S46 PolarHBondContact O-N 3.45Å |
| 43 | A | 68.6 | Low | 61.1 | Low | 63 Ų | 63 | 105.3 Ų | 105.3 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.3 | -34.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | E39 K47 | E39-A43 WeakPolarHBondContact O-CB 3.31Å; E39-A43 PolarHBondContact O-N 2.81Å; A43-K47 WeakPolarHBondContact O-CB 3.3Å; A43-K47 PolarHBondContact O-N 3.48Å; A43-K47 VanDerWaalsContact O-N 3.08Å |
| 44 | R | 68.7 | Low | 61.4 | Low | 205 Ų | 205 | 100.7 Ų | 100.7 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.3 | -36.2 | 175 | -78 | -167.6 | 156.1 | -134.3 | -10 | 113.4 | S40 V41 L42 F48 | S40-R44 WeakPolarHBondContact O-CB 3.25Å; S40-R44 VanDerWaalsContact O-CG 3.29Å; S40-R44 WeakPolarHBondContact O-CG 3.26Å; S40-R44 PolarHBondContact O-N 3.26Å; S40-R44 VanDerWaalsContact O-N 3.12Å; V41-R44 PolarHBondContact O-N 3.4Å; L42-R44 VanDerWaalsContact C-N 3.29Å; L42-R44 PolarHBondContact O-N 3.34Å; R44-F48 WeakPolarHBondContact O-CB 3.23Å; R44-F48 PolarHBondContact O-N 3.46Å; R44-F48 VanDerWaalsContact O-N 3.1Å |
| 45 | L | 67.6 | Low | 61.5 | Low | 93 Ų | 93 | 101.2 Ų | 101.2 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 173.5 | -71.8 | 173.2 | 0 | 0 | 0 | 111.7 | V41 L42 K47 F48 E49 | V41-L45 HydrophobicContact CG1-CD1 4.06Å; V41-L45 HydrophobicContact CG1-CG 4.47Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 3.38Å; L42-L45 PolarHBondContact O-N 2.92Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 3.01Å; L45-F48 PolarHBondContact O-N 2.93Å; L45-F48 VanDerWaalsContact O-N 3.16Å; L45-E49 PolarHBondContact O-N 2.89Å |
| 46 | S | 63.8 | Low | 61.6 | Low | 69 Ų | 69 | 103.6 Ų | 103.6 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -40.1 | 174.3 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | L42 V50 | L42-S46 VanDerWaalsContact O-CB 3.24Å; L42-S46 WeakPolarHBondContact O-CB 3.21Å; L42-S46 PolarHBondContact O-N 3.45Å; S46-V50 VanDerWaalsContact O-CG2 3.25Å; S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.37Å |
| 47 | K | 61.5 | Low | 62 | Low | 138 Ų | 138 | 101.3 Ų | 101.3 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.7 | -35.1 | 176.1 | -168.9 | 174.2 | -179.8 | -174.8 | 0 | 112.6 | A43 L45 E51 | A43-K47 WeakPolarHBondContact O-CB 3.3Å; A43-K47 PolarHBondContact O-N 3.48Å; A43-K47 VanDerWaalsContact O-N 3.08Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 3.01Å; K47-E51 WeakPolarHBondContact CE-OE2 3.19Å; K47-E51 PolarHBondContact O-N 2.72Å |
| 48 | F | 58.3 | Low | 62.3 | Low | 130 Ų | 130 | 98.2 Ų | 98.2 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.9 | -43.5 | 177.5 | -168.9 | -105.3 | 0 | 0 | 0 | 112 | R44 L45 V50 D52 | R44-F48 WeakPolarHBondContact O-CB 3.23Å; R44-F48 PolarHBondContact O-N 3.46Å; R44-F48 VanDerWaalsContact O-N 3.1Å; L45-F48 PolarHBondContact O-N 2.93Å; L45-F48 VanDerWaalsContact O-N 3.16Å; F48-V50 PolarHBondContact O-N 2.81Å; F48-D52 WeakPolarHBondContact CD1-OD2 3.49Å; F48-D52 WeakPolarHBondContact CE1-OD2 3.35Å; F48-D52 VanDerWaalsContact CZ-OD2 3.24Å; F48-D52 WeakPolarHBondContact CZ-OD2 3.34Å; F48-D52 WeakPolarHBondContact O-CB 3.33Å; F48-D52 PolarHBondContact O-N 2.88Å |
| 49 | E | 59.2 | Low | 62.7 | Low | 145 Ų | 145 | 103.5 Ų | 103.5 | 68% | 0.678 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -34.4 | 176.9 | -75.5 | -172.8 | 118.2 | 0 | 0 | 113.4 | L45 A53 | L45-E49 PolarHBondContact O-N 2.89Å; E49-A53 WeakPolarHBondContact O-CB 3.11Å; E49-A53 PolarHBondContact O-N 2.97Å |
| 50 | V | 54.9 | Low | 63.1 | Low | 81 Ų | 81 | 102 Ų | 102 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73 | -42.8 | 178.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | S46 F48 E54 | S46-V50 VanDerWaalsContact O-CG2 3.25Å; S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.37Å; F48-V50 PolarHBondContact O-N 2.81Å; V50-E54 WeakPolarHBondContact O-CB 3.27Å; V50-E54 PolarHBondContact O-N 2.86Å; V50-E54 VanDerWaalsContact O-N 3.08Å |
| 51 | E | 53.7 | Low | 63.6 | Low | 120 Ų | 120 | 102.1 Ų | 102.1 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.2 | -39.1 | 176.9 | -92.9 | 179.4 | 94.7 | 0 | 0 | 112.3 | K47 N55 | K47-E51 WeakPolarHBondContact CE-OE2 3.19Å; K47-E51 PolarHBondContact O-N 2.72Å; E51-N55 VanDerWaalsContact O-CB 3.28Å; E51-N55 WeakPolarHBondContact O-CB 3.33Å; E51-N55 PolarHBondContact O-N 3.31Å; E51-N55 VanDerWaalsContact O-N 3.15Å |
| 52 | D | 56.5 | Low | 63.7 | Low | 74 Ų | 74 | 104.5 Ų | 104.5 | 40% | 0.396 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.5 | -41.3 | 179.3 | -74.5 | -22.8 | 0 | 0 | 0 | 111.8 | F48 N55 V56 | F48-D52 WeakPolarHBondContact CD1-OD2 3.49Å; F48-D52 WeakPolarHBondContact CE1-OD2 3.35Å; F48-D52 VanDerWaalsContact CZ-OD2 3.24Å; F48-D52 WeakPolarHBondContact CZ-OD2 3.34Å; F48-D52 WeakPolarHBondContact O-CB 3.33Å; F48-D52 PolarHBondContact O-N 2.88Å; D52-N55 PolarHBondContact O-N 2.71Å; D52-V56 WeakPolarHBondContact O-CG2 3.04Å; D52-V56 PolarHBondContact O-N 3.09Å; D52-V56 VanDerWaalsContact O-N 3.12Å |
| 53 | A | 57.8 | Low | 64.1 | Low | 62 Ų | 62 | 102.5 Ų | 102.5 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E49 A57 | E49-A53 WeakPolarHBondContact O-CB 3.11Å; E49-A53 PolarHBondContact O-N 2.97Å; A53-A57 WeakPolarHBondContact O-CB 3.26Å; A53-A57 PolarHBondContact O-N 3.33Å |
| 54 | E | 55.8 | Low | 64.5 | Low | 137 Ų | 137 | 106.6 Ų | 106.6 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.5 | -36.2 | 176.3 | -80.7 | -167.1 | 143.7 | 0 | 0 | 112.5 | V50 S58 | V50-E54 WeakPolarHBondContact O-CB 3.27Å; V50-E54 PolarHBondContact O-N 2.86Å; V50-E54 VanDerWaalsContact O-N 3.08Å; E54-S58 WeakPolarHBondContact O-CB 3.46Å; E54-S58 PolarHBondContact O-N 3.32Å |
| 55 | N | 57 | Low | 64.9 | Low | 107 Ų | 107 | 104.6 Ų | 104.6 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -47.3 | 177 | -171.1 | -44.3 | 0 | 0 | 0 | 111.2 | E51 D52 S58 Y59 | E51-N55 VanDerWaalsContact O-CB 3.28Å; E51-N55 WeakPolarHBondContact O-CB 3.33Å; E51-N55 PolarHBondContact O-N 3.31Å; E51-N55 VanDerWaalsContact O-N 3.15Å; D52-N55 PolarHBondContact O-N 2.71Å; N55-S58 PolarHBondContact O-N 3Å; N55-Y59 PolarHBondContact O-N 3.35Å |
| 56 | V | 58.2 | Low | 65.3 | Low | 100 Ų | 100 | 104.9 Ų | 104.9 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -41.3 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | D52 Y59 D60 | D52-V56 WeakPolarHBondContact O-CG2 3.04Å; D52-V56 PolarHBondContact O-N 3.09Å; D52-V56 VanDerWaalsContact O-N 3.12Å; V56-Y59 PolarHBondContact O-N 2.88Å; V56-D60 VanDerWaalsContact O-CB 3.3Å; V56-D60 WeakPolarHBondContact O-CB 3.2Å; V56-D60 PolarHBondContact O-N 3.44Å |
| 57 | A | 65.6 | Low | 65.7 | Low | 59 Ų | 59 | 105.5 Ų | 105.5 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A53 S61 | A53-A57 WeakPolarHBondContact O-CB 3.26Å; A53-A57 PolarHBondContact O-N 3.33Å; A57-S61 WeakPolarHBondContact O-CB 3.31Å; A57-S61 PolarHBondContact O-N 3.19Å; A57-S61 PolarHBondContact O-OG 3.13Å |
| 58 | S | 65.3 | Low | 66.3 | Low | 49 Ų | 49 | 104.9 Ų | 104.9 | 34% | 0.343 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 174.5 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | E54 N55 S61 K62 | E54-S58 WeakPolarHBondContact O-CB 3.46Å; E54-S58 PolarHBondContact O-N 3.32Å; N55-S58 PolarHBondContact O-N 3Å; S58-S61 PolarHBondContact O-OG 3.45Å; S58-S61 VanDerWaalsContact O-OG 3.04Å; S58-K62 WeakPolarHBondContact O-CB 3.22Å; S58-K62 WeakPolarHBondContact O-CD 3.36Å; S58-K62 WeakPolarHBondContact O-CG 3.41Å; S58-K62 PolarHBondContact O-N 2.96Å; S58-K62 VanDerWaalsContact O-N 3.13Å |
| 59 | Y | 68.9 | Low | 66.6 | Low | 157 Ų | 157 | 102.3 Ų | 102.3 | 62% | 0.616 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 176.1 | -147.7 | -101.3 | 0 | 0 | 0 | 111.2 | N55 V56 K62 I63 | N55-Y59 PolarHBondContact O-N 3.35Å; V56-Y59 PolarHBondContact O-N 2.88Å; Y59-K62 PolarHBondContact O-N 3.39Å; Y59-I63 HydrophobicContact CD1-CD1 3.34Å; Y59-I63 HydrophobicContact CD1-CG1 4.06Å; Y59-I63 HydrophobicContact CE1-CD1 3.5Å; Y59-I63 VanDerWaalsContact CE1-CD1 3.5Å; Y59-I63 HydrophobicContact CE1-CG1 4.15Å; Y59-I63 HydrophobicContact CG-CD1 4.44Å; Y59-I63 VanDerWaalsContact O-CG1 3.32Å; Y59-I63 WeakPolarHBondContact O-CG1 3.31Å; Y59-I63 PolarHBondContact O-N 3.39Å |
| 60 | D | 74.6 | Confident | 67.1 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 177.9 | -164.5 | 59.7 | 0 | 0 | 0 | 111.9 | V56 K62 I63 K64 | V56-D60 VanDerWaalsContact O-CB 3.3Å; V56-D60 WeakPolarHBondContact O-CB 3.2Å; V56-D60 PolarHBondContact O-N 3.44Å; D60-K62 PolarHBondContact O-N 2.87Å; D60-I63 PolarHBondContact O-N 2.98Å; D60-K64 WeakPolarHBondContact O-CB 3.5Å; D60-K64 PolarHBondContact O-N 3.46Å |
| 61 | S | 76.1 | Confident | 67.7 | Low | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -32.4 | 177.2 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | A57 S58 K65 | A57-S61 WeakPolarHBondContact O-CB 3.31Å; A57-S61 PolarHBondContact O-N 3.19Å; A57-S61 PolarHBondContact O-OG 3.13Å; S58-S61 PolarHBondContact O-OG 3.45Å; S58-S61 VanDerWaalsContact O-OG 3.04Å; S61-K65 WeakPolarHBondContact O-CB 3.4Å; S61-K65 PolarHBondContact O-N 2.74Å |
| 62 | K | 75.8 | Confident | 68.3 | Low | 123 Ų | 123 | 96.4 Ų | 96.4 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -47.4 | 173.5 | -74.1 | 170.3 | -176.2 | 178.9 | 0 | 111.7 | S58 Y59 D60 K64 K65 I66 | S58-K62 WeakPolarHBondContact O-CB 3.22Å; S58-K62 WeakPolarHBondContact O-CD 3.36Å; S58-K62 WeakPolarHBondContact O-CG 3.41Å; S58-K62 PolarHBondContact O-N 2.96Å; S58-K62 VanDerWaalsContact O-N 3.13Å; Y59-K62 PolarHBondContact O-N 3.39Å; D60-K62 PolarHBondContact O-N 2.87Å; K62-K64 VanDerWaalsContact C-N 3.34Å; K62-K65 PolarHBondContact O-N 3.48Å; K62-I66 WeakPolarHBondContact O-CG1 3.17Å; K62-I66 PolarHBondContact O-N 3.35Å |
| 63 | I | 78.6 | Confident | 68.7 | Low | 75 Ų | 75 | 95.5 Ų | 95.5 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 174 | -67.7 | 169.5 | 0 | 0 | 0 | 109.6 | Y59 D60 K65 I66 V67 | Y59-I63 HydrophobicContact CD1-CD1 3.34Å; Y59-I63 HydrophobicContact CD1-CG1 4.06Å; Y59-I63 HydrophobicContact CE1-CD1 3.5Å; Y59-I63 VanDerWaalsContact CE1-CD1 3.5Å; Y59-I63 HydrophobicContact CE1-CG1 4.15Å; Y59-I63 HydrophobicContact CG-CD1 4.44Å; Y59-I63 VanDerWaalsContact O-CG1 3.32Å; Y59-I63 WeakPolarHBondContact O-CG1 3.31Å; Y59-I63 PolarHBondContact O-N 3.39Å; D60-I63 PolarHBondContact O-N 2.98Å; I63-K65 VanDerWaalsContact C-N 3.28Å; I63-K65 PolarHBondContact O-N 3.35Å; I63-I66 CarbonylContact O-C 3.56Å; I63-I66 WeakPolarHBondContact O-CA 3.23Å; I63-I66 PolarHBondContact O-N 3.43Å; I63-V67 HydrophobicContact CG2-CG2 3.85Å; I63-V67 WeakPolarHBondContact O-CB 3.38Å; I63-V67 VanDerWaalsContact O-CG2 3.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.34Å; I63-V67 PolarHBondContact O-N 2.84Å |
| 64 | K | 76.5 | Confident | 68.8 | Low | 148 Ų | 148 | 100.4 Ų | 100.4 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.8 | -38.6 | 179.3 | -167.4 | 177.3 | -166.8 | -172.9 | 0 | 112 | D60 K62 H68 | D60-K64 WeakPolarHBondContact O-CB 3.5Å; D60-K64 PolarHBondContact O-N 3.46Å; K62-K64 VanDerWaalsContact C-N 3.34Å; K64-H68 WeakPolarHBondContact O-CB 3.36Å; K64-H68 PolarHBondContact O-N 2.84Å |
| 65 | K | 77.1 | Confident | 69 | Low | 164 Ų | 164 | 95 Ų | 95 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 171.6 | -107.7 | 178.8 | 172 | 175.5 | 0 | 112.4 | S61 K62 I63 S69 | S61-K65 WeakPolarHBondContact O-CB 3.4Å; S61-K65 PolarHBondContact O-N 2.74Å; K62-K65 PolarHBondContact O-N 3.48Å; I63-K65 VanDerWaalsContact C-N 3.28Å; I63-K65 PolarHBondContact O-N 3.35Å; K65-S69 WeakPolarHBondContact O-CA 3.06Å; K65-S69 WeakPolarHBondContact O-CB 3.15Å; K65-S69 PolarHBondContact O-N 2.79Å |
| 66 | I | 76.1 | Confident | 69.3 | Low | 99 Ų | 99 | 93 Ų | 93 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 178.2 | -68.7 | 163.9 | 0 | 0 | 0 | 110.3 | K62 I63 S69 I70 | K62-I66 WeakPolarHBondContact O-CG1 3.17Å; K62-I66 PolarHBondContact O-N 3.35Å; I63-I66 CarbonylContact O-C 3.56Å; I63-I66 WeakPolarHBondContact O-CA 3.23Å; I63-I66 PolarHBondContact O-N 3.43Å; I66-S69 CarbonylContact O-C 3.54Å; I66-S69 PolarHBondContact O-N 3.38Å; I66-I70 HydrophobicContact CG2-CD1 3.56Å; I66-I70 HydrophobicContact CG2-CG1 4.29Å; I66-I70 WeakPolarHBondContact O-CB 3.37Å; I66-I70 WeakPolarHBondContact O-CG1 3.28Å; I66-I70 PolarHBondContact O-N 3.09Å |
| 67 | V | 72.9 | Confident | 69.7 | Low | 82 Ų | 82 | 90.3 Ų | 90.3 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | I63 S69 I70 V71 | I63-V67 HydrophobicContact CG2-CG2 3.85Å; I63-V67 WeakPolarHBondContact O-CB 3.38Å; I63-V67 VanDerWaalsContact O-CG2 3.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.34Å; I63-V67 PolarHBondContact O-N 2.84Å; V67-S69 VanDerWaalsContact C-N 3.31Å; V67-S69 PolarHBondContact O-N 3.29Å; V67-I70 PolarHBondContact O-N 3.28Å; V67-V71 VanDerWaalsContact O-CB 3.29Å; V67-V71 WeakPolarHBondContact O-CB 3.09Å; V67-V71 PolarHBondContact O-N 3.44Å |
| 68 | H | 73.4 | Confident | 69.8 | Low | 124 Ų | 124 | 91.2 Ų | 91.2 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.2 | -37.4 | 176.4 | -169.6 | -84.4 | 0 | 0 | 0 | 111.6 | K64 S72 | K64-H68 WeakPolarHBondContact O-CB 3.36Å; K64-H68 PolarHBondContact O-N 2.84Å; H68-S72 WeakPolarHBondContact O-CA 3.3Å; H68-S72 WeakPolarHBondContact O-CB 3.27Å; H68-S72 PolarHBondContact O-N 3.45Å |
| 69 | S | 64.4 | Low | 70 | Confident | 76 Ų | 76 | 94.9 Ų | 94.9 | 53% | 0.531 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | K65 I66 V67 S73 | K65-S69 WeakPolarHBondContact O-CA 3.06Å; K65-S69 WeakPolarHBondContact O-CB 3.15Å; K65-S69 PolarHBondContact O-N 2.79Å; I66-S69 CarbonylContact O-C 3.54Å; I66-S69 PolarHBondContact O-N 3.38Å; V67-S69 VanDerWaalsContact C-N 3.31Å; V67-S69 PolarHBondContact O-N 3.29Å; S69-S73 VanDerWaalsContact O-CA 3.31Å; S69-S73 WeakPolarHBondContact O-CA 3.38Å; S69-S73 WeakPolarHBondContact O-CB 3.47Å; S69-S73 PolarHBondContact O-N 3.31Å |
| 70 | I | 70.6 | Confident | 70.2 | Confident | 90 Ų | 90 | 88.4 Ų | 88.4 | 46% | 0.462 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.5 | -42.7 | 175.6 | -68.9 | 165.3 | 0 | 0 | 0 | 110.8 | I66 V67 S72 S73 | I66-I70 HydrophobicContact CG2-CD1 3.56Å; I66-I70 HydrophobicContact CG2-CG1 4.29Å; I66-I70 WeakPolarHBondContact O-CB 3.37Å; I66-I70 WeakPolarHBondContact O-CG1 3.28Å; I66-I70 PolarHBondContact O-N 3.09Å; V67-I70 PolarHBondContact O-N 3.28Å; I70-S72 VanDerWaalsContact C-N 3.33Å; I70-S73 PolarHBondContact O-N 2.83Å |
| 71 | V | 67.3 | Low | 70.2 | Confident | 46 Ų | 46 | 87.6 Ų | 87.6 | 28% | 0.279 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.4 | -29.9 | -179.5 | 104 | 0 | 0 | 0 | 0 | 111.9 | V67 | V67-V71 VanDerWaalsContact O-CB 3.29Å; V67-V71 WeakPolarHBondContact O-CB 3.09Å; V67-V71 PolarHBondContact O-N 3.44Å |
| 72 | S | 66.5 | Low | 70.1 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -88.1 | -23.5 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 112 | H68 I70 F74 | H68-S72 WeakPolarHBondContact O-CA 3.3Å; H68-S72 WeakPolarHBondContact O-CB 3.27Å; H68-S72 PolarHBondContact O-N 3.45Å; I70-S72 VanDerWaalsContact C-N 3.33Å; S72-F74 PolarHBondContact O-N 2.77Å |
| 73 | S | 63.4 | Low | 70.1 | Confident | 55 Ų | 55 | 85.8 Ų | 85.8 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -68.8 | 126.4 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 107.2 | S69 I70 A75 F76 | S69-S73 VanDerWaalsContact O-CA 3.31Å; S69-S73 WeakPolarHBondContact O-CA 3.38Å; S69-S73 WeakPolarHBondContact O-CB 3.47Å; S69-S73 PolarHBondContact O-N 3.31Å; I70-S73 PolarHBondContact O-N 2.83Å; S73-A75 PolarHBondContact O-N 3Å; S73-A75 VanDerWaalsContact OG-CB 3.31Å; S73-A75 WeakPolarHBondContact OG-CB 3.46Å; S73-A75 PolarHBondContact OG-N 3.03Å; S73-F76 PolarHBondContact O-N 3.16Å |
| 74 | F | 60.3 | Low | 70.1 | Confident | 164 Ų | 164 | 85.9 Ų | 85.9 | 72% | 0.719 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.9 | -12 | 166.9 | -179.1 | -100 | 0 | 0 | 0 | 114.4 | S72 F76 G77 L78 | S72-F74 PolarHBondContact O-N 2.77Å; F74-F76 PolarHBondContact O-N 3.38Å; F74-F76 VanDerWaalsContact O-N 3.08Å; F74-G77 PolarHBondContact O-N 3.34Å; F74-L78 HydrophobicContact CD1-CB 4.35Å; F74-L78 HydrophobicContact CE1-CB 4.28Å; F74-L78 PolarHBondContact O-N 2.84Å; F74-L78 VanDerWaalsContact O-N 3.15Å |
| 75 | A | 60 | Low | 70 | Confident | 23 Ų | 23 | 83.8 Ų | 83.8 | 19% | 0.19 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -38 | -41.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S73 G77 L78 F79 | S73-A75 PolarHBondContact O-N 3Å; S73-A75 VanDerWaalsContact OG-CB 3.31Å; S73-A75 WeakPolarHBondContact OG-CB 3.46Å; S73-A75 PolarHBondContact OG-N 3.03Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-G77 PolarHBondContact O-N 2.86Å; A75-L78 PolarHBondContact O-N 3.36Å; A75-F79 HydrophobicContact CB-CD2 4.23Å; A75-F79 VanDerWaalsContact O-CB 3.24Å; A75-F79 WeakPolarHBondContact O-CB 3.26Å; A75-F79 WeakPolarHBondContact O-CD2 3.49Å; A75-F79 PolarHBondContact O-N 2.8Å |
| 76 | F | 63.8 | Low | 70.1 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | -179.6 | -115.7 | -85.1 | 0 | 0 | 0 | 114.1 | S73 F74 G80 L125 F128 V129 | S73-F76 PolarHBondContact O-N 3.16Å; F74-F76 PolarHBondContact O-N 3.38Å; F74-F76 VanDerWaalsContact O-N 3.08Å; F76-G80 PolarHBondContact O-N 3.2Å; F76-L125 HydrophobicContact CD1-CG 4.44Å; F76-L125 HydrophobicContact CE1-CG 4.17Å; F76-F128 HydrophobicContact CE1-CB 4.25Å; F76-V129 HydrophobicContact CD1-CG2 3.74Å; F76-V129 HydrophobicContact CE1-CG2 4.44Å |
| 77 | G | 66.8 | Low | 70.3 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 44% | 0.443 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -76.6 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F74 A75 F79 G80 V81 | F74-G77 PolarHBondContact O-N 3.34Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-G77 PolarHBondContact O-N 2.86Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 PolarHBondContact O-N 3.44Å; G77-G80 PolarHBondContact O-N 2.64Å; G77-V81 PolarHBondContact O-N 3.01Å |
| 78 | L | 67.3 | Low | 70.6 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 41% | 0.408 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.8 | -34.3 | 176.3 | -167.6 | 66.8 | 0 | 0 | 0 | 111.8 | F74 A75 G80 V81 F82 | F74-L78 HydrophobicContact CD1-CB 4.35Å; F74-L78 HydrophobicContact CE1-CB 4.28Å; F74-L78 PolarHBondContact O-N 2.84Å; F74-L78 VanDerWaalsContact O-N 3.15Å; A75-L78 PolarHBondContact O-N 3.36Å; L78-G80 VanDerWaalsContact C-N 3.31Å; L78-G80 PolarHBondContact O-N 3.5Å; L78-V81 PolarHBondContact O-N 3.26Å; L78-V81 VanDerWaalsContact O-N 3.15Å; L78-F82 HydrophobicContact CD1-CE2 4.2Å; L78-F82 HydrophobicContact CD2-CD2 4.37Å; L78-F82 HydrophobicContact CD2-CE2 3.7Å; L78-F82 HydrophobicContact CG-CD2 3.79Å; L78-F82 HydrophobicContact CG-CE2 3.55Å; L78-F82 WeakPolarHBondContact O-CD2 3.35Å; L78-F82 PolarHBondContact O-N 3.46Å |
| 79 | F | 69.6 | Low | 70.9 | Confident | 126 Ų | 126 | 76.1 Ų | 76.1 | 55% | 0.553 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 173.4 | -101 | -80.7 | 0 | 0 | 0 | 110.9 | A75 G77 V81 F82 L83 L125 | A75-F79 HydrophobicContact CB-CD2 4.23Å; A75-F79 VanDerWaalsContact O-CB 3.24Å; A75-F79 WeakPolarHBondContact O-CB 3.26Å; A75-F79 WeakPolarHBondContact O-CD2 3.49Å; A75-F79 PolarHBondContact O-N 2.8Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 PolarHBondContact O-N 3.44Å; F79-V81 VanDerWaalsContact C-N 3.33Å; F79-V81 PolarHBondContact O-N 3.43Å; F79-F82 PolarHBondContact O-N 3.14Å; F79-L83 WeakPolarHBondContact O-CB 3.05Å; F79-L83 WeakPolarHBondContact O-CG 3.35Å; F79-L83 PolarHBondContact O-N 2.9Å; F79-L125 HydrophobicContact CB-CD2 3.96Å |
| 80 | G | 72.4 | Confident | 71.5 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | F76 G77 L78 L83 V84 | F76-G80 PolarHBondContact O-N 3.2Å; G77-G80 PolarHBondContact O-N 2.64Å; L78-G80 VanDerWaalsContact C-N 3.31Å; L78-G80 PolarHBondContact O-N 3.5Å; G80-L83 WeakPolarHBondContact O-CB 2.86Å; G80-L83 PolarHBondContact O-N 2.84Å; G80-V84 PolarHBondContact O-N 3.41Å; G80-V84 VanDerWaalsContact O-N 3.09Å |
| 81 | V | 74.8 | Confident | 71.8 | Confident | 84 Ų | 84 | 74 Ų | 74 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.3 | -44.4 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | G77 L78 F79 L83 V84 L85 | G77-V81 PolarHBondContact O-N 3.01Å; L78-V81 PolarHBondContact O-N 3.26Å; L78-V81 VanDerWaalsContact O-N 3.15Å; F79-V81 VanDerWaalsContact C-N 3.33Å; F79-V81 PolarHBondContact O-N 3.43Å; V81-L83 PolarHBondContact O-N 3.33Å; V81-V84 PolarHBondContact O-N 2.88Å; V81-L85 HydrophobicContact CG1-CD1 4.36Å; V81-L85 WeakPolarHBondContact O-CG 3.46Å; V81-L85 PolarHBondContact O-N 3.36Å |
| 82 | F | 74.4 | Confident | 72.5 | Confident | 123 Ų | 123 | 76.1 Ų | 76.1 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 174.8 | -85.9 | -67.6 | 0 | 0 | 0 | 112.5 | L78 F79 L85 L86 | L78-F82 HydrophobicContact CD1-CE2 4.2Å; L78-F82 HydrophobicContact CD2-CD2 4.37Å; L78-F82 HydrophobicContact CD2-CE2 3.7Å; L78-F82 HydrophobicContact CG-CD2 3.79Å; L78-F82 HydrophobicContact CG-CE2 3.55Å; L78-F82 WeakPolarHBondContact O-CD2 3.35Å; L78-F82 PolarHBondContact O-N 3.46Å; F79-F82 PolarHBondContact O-N 3.14Å; F82-L85 PolarHBondContact O-N 3.15Å; F82-L86 WeakPolarHBondContact O-CB 3.16Å; F82-L86 PolarHBondContact O-N 3.46Å |
| 83 | L | 76 | Confident | 72.9 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.7 | -56.7 | 174.7 | -81.7 | -179.1 | 0 | 0 | 0 | 109.5 | F79 G80 V81 L85 L86 D87 F118 M121 L125 | F79-L83 WeakPolarHBondContact O-CB 3.05Å; F79-L83 WeakPolarHBondContact O-CG 3.35Å; F79-L83 PolarHBondContact O-N 2.9Å; G80-L83 WeakPolarHBondContact O-CB 2.86Å; G80-L83 PolarHBondContact O-N 2.84Å; V81-L83 PolarHBondContact O-N 3.33Å; L83-L85 PolarHBondContact O-N 3.44Å; L83-L86 WeakPolarHBondContact O-CB 3.26Å; L83-L86 PolarHBondContact O-N 3.43Å; L83-D87 PolarHBondContact O-N 3.37Å; L83-F118 HydrophobicContact CB-CD2 4.47Å; L83-F118 HydrophobicContact CB-CE2 3.63Å; L83-F118 HydrophobicContact CB-CZ 4.43Å; L83-F118 HydrophobicContact CD2-CD2 4.32Å; L83-F118 HydrophobicContact CD2-CE2 4.29Å; L83-F118 HydrophobicContact CG-CE2 4.49Å; L83-F118 WeakPolarHBondContact O-CE2 3.42Å; L83-F118 WeakPolarHBondContact O-CZ 3.19Å; L83-M121 HydrophobicContact CD1-CB 4.39Å; L83-L125 HydrophobicContact CD1-CD1 3.94Å; L83-L125 HydrophobicContact CD1-CD2 3.58Å; L83-L125 HydrophobicContact CD1-CG 4.27Å |
| 84 | V | 78.7 | Confident | 73.4 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 47% | 0.473 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56 | -38.5 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 112.3 | G80 V81 D87 V88 | G80-V84 PolarHBondContact O-N 3.41Å; G80-V84 VanDerWaalsContact O-N 3.09Å; V81-V84 PolarHBondContact O-N 2.88Å; V84-D87 PolarHBondContact O-N 3.03Å; V84-V88 WeakPolarHBondContact O-CG2 2.94Å; V84-V88 PolarHBondContact O-N 3.32Å |
| 85 | L | 74.1 | Confident | 73.9 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.1 | -70.3 | 174.5 | 0 | 0 | 0 | 112.4 | V81 F82 L83 D87 V88 T89 | V81-L85 HydrophobicContact CG1-CD1 4.36Å; V81-L85 WeakPolarHBondContact O-CG 3.46Å; V81-L85 PolarHBondContact O-N 3.36Å; F82-L85 PolarHBondContact O-N 3.15Å; L83-L85 PolarHBondContact O-N 3.44Å; L85-D87 VanDerWaalsContact C-N 3.33Å; L85-V88 PolarHBondContact O-N 3Å; L85-T89 PolarHBondContact O-N 3.2Å; L85-T89 PolarHBondContact O-OG1 2.94Å |
| 86 | L | 80 | Confident | 74.4 | Confident | 107 Ų | 107 | 75.2 Ų | 75.2 | 56% | 0.56 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65 | -36.2 | 178.6 | -169.9 | 63.1 | 0 | 0 | 0 | 111.8 | F82 L83 T89 L90 | F82-L86 WeakPolarHBondContact O-CB 3.16Å; F82-L86 PolarHBondContact O-N 3.46Å; L83-L86 WeakPolarHBondContact O-CB 3.26Å; L83-L86 PolarHBondContact O-N 3.43Å; L86-T89 WeakPolarHBondContact CA-OG1 3.25Å; L86-T89 PolarHBondContact O-N 3.34Å; L86-T89 PolarHBondContact O-OG1 3.08Å; L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 PolarHBondContact O-N 2.72Å |
| 87 | D | 78.5 | Confident | 74.6 | Confident | 29 Ų | 29 | 79.7 Ų | 79.7 | 16% | 0.155 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.5 | -51 | 174.3 | -176.8 | 53.1 | 0 | 0 | 0 | 112.4 | L83 V84 L85 T89 L90 I91 F118 | L83-D87 PolarHBondContact O-N 3.37Å; V84-D87 PolarHBondContact O-N 3.03Å; L85-D87 VanDerWaalsContact C-N 3.33Å; D87-T89 VanDerWaalsContact C-N 3.31Å; D87-T89 PolarHBondContact O-N 3.24Å; D87-L90 PolarHBondContact O-N 3.15Å; D87-L90 VanDerWaalsContact O-N 3.16Å; D87-I91 WeakPolarHBondContact O-CG1 3.13Å; D87-I91 PolarHBondContact O-N 3.36Å; D87-F118 HydrophobicContact CB-CD1 3.52Å; D87-F118 HydrophobicContact CB-CD2 3.94Å; D87-F118 HydrophobicContact CB-CE1 3.28Å; D87-F118 HydrophobicContact CB-CE2 3.76Å; D87-F118 HydrophobicContact CB-CG 3.85Å; D87-F118 HydrophobicContact CB-CZ 3.43Å; D87-F118 VanDerWaalsContact CB-CZ 3.43Å; D87-F118 WeakPolarHBondContact OD1-CD1 3.34Å |
| 88 | V | 79.6 | Confident | 74.5 | Confident | 90 Ų | 90 | 80.3 Ų | 80.3 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | V84 L85 L90 L92 | V84-V88 WeakPolarHBondContact O-CG2 2.94Å; V84-V88 PolarHBondContact O-N 3.32Å; L85-V88 PolarHBondContact O-N 3Å; V88-L90 VanDerWaalsContact C-N 3.35Å; V88-L92 VanDerWaalsContact O-CB 3.25Å; V88-L92 WeakPolarHBondContact O-CB 3.31Å; V88-L92 PolarHBondContact O-N 3.25Å |
| 89 | T | 79.8 | Confident | 74.1 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.9 | -33.9 | 176.7 | 16.1 | 0 | 0 | 0 | 0 | 112.6 | L85 L86 D87 L92 A93 | L85-T89 PolarHBondContact O-N 3.2Å; L85-T89 PolarHBondContact O-OG1 2.94Å; L86-T89 WeakPolarHBondContact CA-OG1 3.25Å; L86-T89 PolarHBondContact O-N 3.34Å; L86-T89 PolarHBondContact O-OG1 3.08Å; D87-T89 VanDerWaalsContact C-N 3.31Å; D87-T89 PolarHBondContact O-N 3.24Å; T89-L92 PolarHBondContact O-N 2.76Å; T89-A93 VanDerWaalsContact O-CB 3.26Å; T89-A93 WeakPolarHBondContact O-CB 3.21Å; T89-A93 PolarHBondContact O-N 2.8Å |
| 90 | L | 78.6 | Confident | 73.4 | Confident | 42 Ų | 42 | 82.1 Ų | 82.1 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -72 | -42.9 | 178.3 | -171.7 | 77 | 0 | 0 | 0 | 111.7 | L86 D87 V88 L92 A93 D94 A114 I115 | L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 PolarHBondContact O-N 2.72Å; D87-L90 PolarHBondContact O-N 3.15Å; D87-L90 VanDerWaalsContact O-N 3.16Å; V88-L90 VanDerWaalsContact C-N 3.35Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.41Å; L90-A93 PolarHBondContact O-N 3.26Å; L90-D94 VanDerWaalsContact O-CB 3.31Å; L90-D94 WeakPolarHBondContact O-CB 3.41Å; L90-D94 PolarHBondContact O-N 2.75Å; L90-A114 HydrophobicContact CD1-CB 4.12Å; L90-A114 HydrophobicContact CD2-CB 3.34Å; L90-A114 HydrophobicContact CG-CB 4.31Å; L90-I115 HydrophobicContact CD2-CG1 3.73Å |
| 91 | I | 76.3 | Confident | 72.7 | Confident | 81 Ų | 81 | 89.5 Ų | 89.5 | 42% | 0.415 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 172.2 | -68.1 | 166.5 | 0 | 0 | 0 | 110.4 | D87 L95 I115 | D87-I91 WeakPolarHBondContact O-CG1 3.13Å; D87-I91 PolarHBondContact O-N 3.36Å; I91-L95 VanDerWaalsContact O-CB 3.27Å; I91-L95 WeakPolarHBondContact O-CB 3.28Å; I91-L95 PolarHBondContact O-N 2.8Å; I91-I115 HydrophobicContact CG1-CD1 4.11Å; I91-I115 HydrophobicContact CG1-CG1 4.5Å |
| 92 | L | 81.3 | Confident | 71.9 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 177.7 | -175.6 | 63.3 | 0 | 0 | 0 | 112.3 | V88 T89 L90 L95 I96 | V88-L92 VanDerWaalsContact O-CB 3.25Å; V88-L92 WeakPolarHBondContact O-CB 3.31Å; V88-L92 PolarHBondContact O-N 3.25Å; T89-L92 PolarHBondContact O-N 2.76Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 2.73Å; L92-I96 HydrophobicContact CD1-CD1 3.99Å; L92-I96 HydrophobicContact CD1-CG1 4.37Å; L92-I96 HydrophobicContact CG-CD1 3.9Å; L92-I96 WeakPolarHBondContact O-CB 3.2Å; L92-I96 VanDerWaalsContact O-CG1 3.26Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 2.82Å |
| 93 | A | 75 | Confident | 70.6 | Confident | 45 Ų | 45 | 96.7 Ų | 96.7 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T89 L90 I96 F97 | T89-A93 VanDerWaalsContact O-CB 3.26Å; T89-A93 WeakPolarHBondContact O-CB 3.21Å; T89-A93 PolarHBondContact O-N 2.8Å; L90-A93 PolarHBondContact O-N 3.26Å; A93-I96 PolarHBondContact O-N 3.43Å; A93-F97 WeakPolarHBondContact O-CB 3.24Å; A93-F97 WeakPolarHBondContact O-CD2 3.39Å; A93-F97 PolarHBondContact O-N 2.77Å |
| 94 | D | 73.8 | Confident | 69.7 | Low | 39 Ų | 39 | 102.8 Ų | 102.8 | 21% | 0.209 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 172.2 | -174.2 | 47 | 0 | 0 | 0 | 110.9 | L90 I96 F97 T98 I111 | L90-D94 VanDerWaalsContact O-CB 3.31Å; L90-D94 WeakPolarHBondContact O-CB 3.41Å; L90-D94 PolarHBondContact O-N 2.75Å; D94-I96 VanDerWaalsContact C-N 3.34Å; D94-I96 PolarHBondContact O-N 3.21Å; D94-F97 PolarHBondContact O-N 2.75Å; D94-T98 WeakPolarHBondContact O-CB 3.22Å; D94-T98 PolarHBondContact O-N 2.77Å; D94-T98 PolarHBondContact O-OG1 3.45Å; D94-T98 PolarHBondContact OD1-OG1 3.31Å; D94-I111 HydrophobicContact CB-CB 4.48Å; D94-I111 HydrophobicContact CB-CG1 3.74Å; D94-I111 HydrophobicContact CB-CG2 3.93Å; D94-I111 WeakPolarHBondContact OD1-CG1 3.19Å; D94-I111 WeakPolarHBondContact OD1-CG2 3.41Å; D94-I111 WeakPolarHBondContact OD2-CG2 3.37Å |
| 95 | L | 70.3 | Confident | 68.6 | Low | 113 Ų | 113 | 102.1 Ų | 102.1 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -40.3 | -179.4 | -174.8 | 64.1 | 0 | 0 | 0 | 112.9 | I91 L92 | I91-L95 VanDerWaalsContact O-CB 3.27Å; I91-L95 WeakPolarHBondContact O-CB 3.28Å; I91-L95 PolarHBondContact O-N 2.8Å; L92-L95 PolarHBondContact O-N 2.73Å |
| 96 | I | 71.9 | Confident | 67.7 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73.9 | -36.5 | -179.6 | -68.9 | 170.8 | 0 | 0 | 0 | 111.9 | L92 A93 D94 | L92-I96 HydrophobicContact CD1-CD1 3.99Å; L92-I96 HydrophobicContact CD1-CG1 4.37Å; L92-I96 HydrophobicContact CG-CD1 3.9Å; L92-I96 WeakPolarHBondContact O-CB 3.2Å; L92-I96 VanDerWaalsContact O-CG1 3.26Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 2.82Å; A93-I96 PolarHBondContact O-N 3.43Å; D94-I96 VanDerWaalsContact C-N 3.34Å; D94-I96 PolarHBondContact O-N 3.21Å |
| 97 | F | 68.1 | Low | 66.5 | Low | 160 Ų | 160 | 106 Ų | 106 | 70% | 0.702 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -84.3 | -21.3 | -179.9 | -90 | -94 | 0 | 0 | 0 | 113.7 | A93 D94 D99 | A93-F97 WeakPolarHBondContact O-CB 3.24Å; A93-F97 WeakPolarHBondContact O-CD2 3.39Å; A93-F97 PolarHBondContact O-N 2.77Å; D94-F97 PolarHBondContact O-N 2.75Å; F97-D99 VanDerWaalsContact C-N 3.3Å; F97-D99 PolarHBondContact O-N 3Å |
| 98 | T | 64.4 | Low | 65.4 | Low | 56 Ų | 56 | 109.4 Ų | 109.4 | 34% | 0.344 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -27.4 | -178.6 | -69.5 | 0 | 0 | 0 | 0 | 113.6 | D94 S100 Y108 | D94-T98 WeakPolarHBondContact O-CB 3.22Å; D94-T98 PolarHBondContact O-N 2.77Å; D94-T98 PolarHBondContact O-OG1 3.45Å; D94-T98 PolarHBondContact OD1-OG1 3.31Å; T98-S100 VanDerWaalsContact C-N 3.31Å; T98-S100 PolarHBondContact O-N 3.44Å; T98-Y108 HydrophobicContact CG2-CE1 3.88Å; T98-Y108 WeakPolarHBondContact OG1-CE1 3.2Å |
| 99 | D | 59.5 | Low | 64.8 | Low | 152 Ų | 152 | 114.6 Ų | 114.6 | 81% | 0.813 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -10.9 | -172.1 | -105.1 | -42 | 0 | 0 | 0 | 115 | F97 | F97-D99 VanDerWaalsContact C-N 3.3Å; F97-D99 PolarHBondContact O-N 3Å |
| 100 | S | 54.8 | Low | 64.4 | Low | 90 Ų | 90 | 113.9 Ų | 113.9 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -112.9 | 70.5 | -171.4 | 66.5 | 0 | 0 | 0 | 0 | 115.1 | T98 | T98-S100 VanDerWaalsContact C-N 3.31Å; T98-S100 PolarHBondContact O-N 3.44Å |
| 101 | K | 56.3 | Low | 64.2 | Low | 178 Ų | 178 | 113.5 Ų | 113.5 | 77% | 0.774 | 57% | 0.568 | S | S | * | * | trans | 56.9 | 121.1 | 144 | -164.9 | -179.8 | 175.6 | -177.3 | 0 | 120.6 | ||||
| 102 | L | 57.9 | Low | 64.1 | Low | 149 Ų | 149 | 113.5 Ų | 113.5 | 78% | 0.78 | 58% | 0.575 | S | S | * | * | trans | 53.3 | 97.6 | 147.4 | -61.5 | 179.1 | 0 | 0 | 0 | 120.1 | ||||
| 103 | Y | 46.9 | Very low | 63.7 | Low | 208 Ų | 208 | 114 Ų | 114 | 82% | 0.816 | 58% | 0.578 | S | S | * | * | S | Bend | -178.5 | 144.3 | 125 | -147.2 | -114.6 | 0 | 0 | 0 | 106.9 | P105 | Y103-P105 WeakPolarHBondContact O-CA 2.94Å; Y103-P105 VanDerWaalsContact O-CB 3.26Å; Y103-P105 WeakPolarHBondContact O-CB 3.45Å; Y103-P105 VanDerWaalsContact O-CG 3.25Å; Y103-P105 WeakPolarHBondContact O-CG 3.31Å; Y103-P105 VanDerWaalsContact O-N 3.1Å | |
| 104 | I | 58.5 | Low | 63.9 | Low | 154 Ų | 154 | 113.4 Ų | 113.4 | 79% | 0.79 | 57% | 0.573 | S | S | * | * | trans | -40.2 | 112.6 | -176.9 | -63.3 | 147.7 | 0 | 0 | 0 | 111.7 | ||||
| 105 | P | 56.2 | Low | 64 | Low | 64 Ų | 64 | 113.6 Ų | 113.6 | 42% | 0.416 | 57% | 0.573 | S | S | . | * | trans | -114.1 | 101.4 | -148.9 | 17.1 | 6.8 | 0 | 0 | 0 | 110.5 | Y103 E107 Y108 | Y103-P105 WeakPolarHBondContact O-CA 2.94Å; Y103-P105 VanDerWaalsContact O-CB 3.26Å; Y103-P105 WeakPolarHBondContact O-CB 3.45Å; Y103-P105 VanDerWaalsContact O-CG 3.25Å; Y103-P105 WeakPolarHBondContact O-CG 3.31Å; Y103-P105 VanDerWaalsContact O-N 3.1Å; P105-E107 PolarHBondContact O-N 3.32Å; P105-E107 VanDerWaalsContact O-N 3.11Å; P105-Y108 HydrophobicContact CB-CD2 3.32Å; P105-Y108 HydrophobicContact CB-CE2 3.38Å; P105-Y108 HydrophobicContact CG-CD2 3.28Å; P105-Y108 HydrophobicContact CG-CE2 3.26Å | ||
| 106 | L | 53.6 | Low | 64.4 | Low | 147 Ų | 147 | 110.8 Ų | 110.8 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -54.7 | -19.9 | 166.3 | -109.5 | 110.8 | 0 | 0 | 0 | 112.4 | R109 S110 | L106-R109 VanDerWaalsContact O-CB 3.31Å; L106-R109 WeakPolarHBondContact O-CB 3.31Å; L106-R109 PolarHBondContact O-N 3.02Å; L106-S110 PolarHBondContact O-N 3.04Å |
| 107 | E | 54.6 | Low | 64.6 | Low | 147 Ų | 147 | 109.4 Ų | 109.4 | 69% | 0.687 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -75 | -36.5 | -173.9 | -64.2 | 178.3 | -167.2 | 0 | 0 | 112.9 | P105 R109 S110 I111 | P105-E107 PolarHBondContact O-N 3.32Å; P105-E107 VanDerWaalsContact O-N 3.11Å; E107-R109 PolarHBondContact O-N 2.98Å; E107-S110 CarbonylContact O-C 3.54Å; E107-S110 WeakPolarHBondContact O-CA 3.48Å; E107-S110 VanDerWaalsContact O-CB 3.23Å; E107-S110 WeakPolarHBondContact O-CB 3.45Å; E107-S110 PolarHBondContact O-N 2.96Å; E107-I111 VanDerWaalsContact O-CD1 3.28Å; E107-I111 WeakPolarHBondContact O-CD1 2.88Å; E107-I111 PolarHBondContact O-N 2.89Å |
| 108 | Y | 55.9 | Low | 64.9 | Low | 100 Ų | 100 | 102.8 Ų | 102.8 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -29.4 | 170.8 | -61.6 | -80.7 | 0 | 0 | 0 | 112.2 | T98 P105 S110 I111 S112 | T98-Y108 HydrophobicContact CG2-CE1 3.88Å; T98-Y108 WeakPolarHBondContact OG1-CE1 3.2Å; P105-Y108 HydrophobicContact CB-CD2 3.32Å; P105-Y108 HydrophobicContact CB-CE2 3.38Å; P105-Y108 HydrophobicContact CG-CD2 3.28Å; P105-Y108 HydrophobicContact CG-CE2 3.26Å; Y108-S110 VanDerWaalsContact C-N 3.29Å; Y108-I111 PolarHBondContact O-N 2.99Å; Y108-S112 VanDerWaalsContact O-CB 3.3Å; Y108-S112 WeakPolarHBondContact O-CB 3.5Å; Y108-S112 PolarHBondContact O-N 3.13Å |
| 109 | R | 67.7 | Low | 65.2 | Low | 198 Ų | 198 | 106.2 Ų | 106.2 | 75% | 0.747 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.4 | -34.8 | 172.5 | -165 | -179.9 | -175 | -160.9 | 1.2 | 110.8 | L106 E107 L113 | L106-R109 VanDerWaalsContact O-CB 3.31Å; L106-R109 WeakPolarHBondContact O-CB 3.31Å; L106-R109 PolarHBondContact O-N 3.02Å; E107-R109 PolarHBondContact O-N 2.98Å; R109-L113 WeakPolarHBondContact O-CB 3.1Å; R109-L113 PolarHBondContact O-N 2.91Å |
| 110 | S | 70.4 | Confident | 66 | Low | 66 Ų | 66 | 103.4 Ų | 103.4 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 172.7 | 153.3 | 0 | 0 | 0 | 0 | 111.8 | L106 E107 Y108 L113 A114 | L106-S110 PolarHBondContact O-N 3.04Å; E107-S110 CarbonylContact O-C 3.54Å; E107-S110 WeakPolarHBondContact O-CA 3.48Å; E107-S110 VanDerWaalsContact O-CB 3.23Å; E107-S110 WeakPolarHBondContact O-CB 3.45Å; E107-S110 PolarHBondContact O-N 2.96Å; Y108-S110 VanDerWaalsContact C-N 3.29Å; S110-L113 CarbonylContact O-C 3.55Å; S110-L113 PolarHBondContact O-N 2.93Å; S110-A114 WeakPolarHBondContact O-CB 3.11Å; S110-A114 PolarHBondContact O-N 3.29Å |
| 111 | I | 74.4 | Confident | 66.7 | Low | 35 Ų | 35 | 103.8 Ų | 103.8 | 18% | 0.179 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.9 | -49.9 | 176.3 | -93 | 76.8 | 0 | 0 | 0 | 111 | D94 E107 Y108 L113 A114 I115 | D94-I111 HydrophobicContact CB-CB 4.48Å; D94-I111 HydrophobicContact CB-CG1 3.74Å; D94-I111 HydrophobicContact CB-CG2 3.93Å; D94-I111 WeakPolarHBondContact OD1-CG1 3.19Å; D94-I111 WeakPolarHBondContact OD1-CG2 3.41Å; D94-I111 WeakPolarHBondContact OD2-CG2 3.37Å; E107-I111 VanDerWaalsContact O-CD1 3.28Å; E107-I111 WeakPolarHBondContact O-CD1 2.88Å; E107-I111 PolarHBondContact O-N 2.89Å; Y108-I111 PolarHBondContact O-N 2.99Å; I111-L113 PolarHBondContact O-N 3.3Å; I111-A114 PolarHBondContact O-N 3.41Å; I111-A114 VanDerWaalsContact O-N 3.09Å; I111-I115 HydrophobicContact CG2-CD1 3.94Å; I111-I115 WeakPolarHBondContact O-CG1 3.29Å; I111-I115 PolarHBondContact O-N 2.92Å |
| 112 | S | 74.8 | Confident | 67.5 | Low | 81 Ų | 81 | 96.8 Ų | 96.8 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -36.1 | 178.7 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | Y108 A116 | Y108-S112 VanDerWaalsContact O-CB 3.3Å; Y108-S112 WeakPolarHBondContact O-CB 3.5Å; Y108-S112 PolarHBondContact O-N 3.13Å; S112-A116 WeakPolarHBondContact O-CB 3.3Å; S112-A116 PolarHBondContact O-N 3.06Å |
| 113 | L | 73.8 | Confident | 68.2 | Low | 100 Ų | 100 | 92.9 Ų | 92.9 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 172.6 | -178.9 | 66.1 | 0 | 0 | 0 | 112.5 | R109 S110 I111 A116 L117 | R109-L113 WeakPolarHBondContact O-CB 3.1Å; R109-L113 PolarHBondContact O-N 2.91Å; S110-L113 CarbonylContact O-C 3.55Å; S110-L113 PolarHBondContact O-N 2.93Å; I111-L113 PolarHBondContact O-N 3.3Å; L113-A116 PolarHBondContact O-N 3.47Å; L113-L117 HydrophobicContact CD1-CD1 4.14Å; L113-L117 HydrophobicContact CD1-CG 4.01Å; L113-L117 HydrophobicContact CD2-CD1 4.39Å; L113-L117 HydrophobicContact CG-CD1 3.84Å; L113-L117 HydrophobicContact CG-CG 4.14Å; L113-L117 WeakPolarHBondContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.03Å; L113-L117 PolarHBondContact O-N 3.12Å |
| 114 | A | 77.9 | Confident | 69.4 | Low | 31 Ų | 31 | 86.4 Ų | 86.4 | 26% | 0.256 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.1 | -36.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L90 S110 I111 F118 | L90-A114 HydrophobicContact CD1-CB 4.12Å; L90-A114 HydrophobicContact CD2-CB 3.34Å; L90-A114 HydrophobicContact CG-CB 4.31Å; S110-A114 WeakPolarHBondContact O-CB 3.11Å; S110-A114 PolarHBondContact O-N 3.29Å; I111-A114 PolarHBondContact O-N 3.41Å; I111-A114 VanDerWaalsContact O-N 3.09Å; A114-F118 WeakPolarHBondContact O-CA 3.38Å; A114-F118 WeakPolarHBondContact O-CB 3.34Å; A114-F118 PolarHBondContact O-N 3.21Å |
| 115 | I | 76.8 | Confident | 70 | Confident | 43 Ų | 43 | 80.5 Ų | 80.5 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69 | -37.3 | 169.7 | -61.9 | 165.9 | 0 | 0 | 0 | 111.3 | L90 I91 I111 F118 F119 | L90-I115 HydrophobicContact CD2-CG1 3.73Å; I91-I115 HydrophobicContact CG1-CD1 4.11Å; I91-I115 HydrophobicContact CG1-CG1 4.5Å; I111-I115 HydrophobicContact CG2-CD1 3.94Å; I111-I115 WeakPolarHBondContact O-CG1 3.29Å; I111-I115 PolarHBondContact O-N 2.92Å; I115-F118 WeakPolarHBondContact O-CB 3.43Å; I115-F118 PolarHBondContact O-N 3.05Å; I115-F119 PolarHBondContact O-N 3.15Å |
| 116 | A | 78.1 | Confident | 70.7 | Confident | 54 Ų | 54 | 84.8 Ų | 84.8 | 45% | 0.446 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.2 | -40.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S112 L113 F118 F119 L120 | S112-A116 WeakPolarHBondContact O-CB 3.3Å; S112-A116 PolarHBondContact O-N 3.06Å; L113-A116 PolarHBondContact O-N 3.47Å; A116-F118 VanDerWaalsContact C-N 3.28Å; A116-F119 PolarHBondContact O-N 3.19Å; A116-L120 WeakPolarHBondContact O-CB 3.15Å; A116-L120 PolarHBondContact O-N 3.16Å |
| 117 | L | 75.6 | Confident | 71.3 | Confident | 85 Ų | 85 | 81 Ų | 81 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.2 | -34 | 172.5 | -74.2 | 175.4 | 0 | 0 | 0 | 110.8 | L113 L120 M121 | L113-L117 HydrophobicContact CD1-CD1 4.14Å; L113-L117 HydrophobicContact CD1-CG 4.01Å; L113-L117 HydrophobicContact CD2-CD1 4.39Å; L113-L117 HydrophobicContact CG-CD1 3.84Å; L113-L117 HydrophobicContact CG-CG 4.14Å; L113-L117 WeakPolarHBondContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.03Å; L113-L117 PolarHBondContact O-N 3.12Å; L117-L120 HydrophobicContact CD2-CD2 4.26Å; L117-L120 PolarHBondContact O-N 3.1Å; L117-M121 WeakPolarHBondContact O-CB 3.1Å; L117-M121 VanDerWaalsContact O-CG 3.31Å; L117-M121 WeakPolarHBondContact O-CG 3.44Å; L117-M121 PolarHBondContact O-N 2.84Å |
| 118 | F | 75.3 | Confident | 71.7 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 9% | 0.092 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.5 | -52 | 170.3 | 173.5 | -101.1 | 0 | 0 | 0 | 110.9 | L83 D87 A114 I115 A116 L120 M121 D122 | L83-F118 HydrophobicContact CB-CD2 4.47Å; L83-F118 HydrophobicContact CB-CE2 3.63Å; L83-F118 HydrophobicContact CB-CZ 4.43Å; L83-F118 HydrophobicContact CD2-CD2 4.32Å; L83-F118 HydrophobicContact CD2-CE2 4.29Å; L83-F118 HydrophobicContact CG-CE2 4.49Å; L83-F118 WeakPolarHBondContact O-CE2 3.42Å; L83-F118 WeakPolarHBondContact O-CZ 3.19Å; D87-F118 HydrophobicContact CB-CD1 3.52Å; D87-F118 HydrophobicContact CB-CD2 3.94Å; D87-F118 HydrophobicContact CB-CE1 3.28Å; D87-F118 HydrophobicContact CB-CE2 3.76Å; D87-F118 HydrophobicContact CB-CG 3.85Å; D87-F118 HydrophobicContact CB-CZ 3.43Å; D87-F118 VanDerWaalsContact CB-CZ 3.43Å; D87-F118 WeakPolarHBondContact OD1-CD1 3.34Å; A114-F118 WeakPolarHBondContact O-CA 3.38Å; A114-F118 WeakPolarHBondContact O-CB 3.34Å; A114-F118 PolarHBondContact O-N 3.21Å; I115-F118 WeakPolarHBondContact O-CB 3.43Å; I115-F118 PolarHBondContact O-N 3.05Å; A116-F118 VanDerWaalsContact C-N 3.28Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.4Å; F118-M121 PolarHBondContact O-N 3.45Å; F118-D122 WeakPolarHBondContact O-CB 3.43Å; F118-D122 PolarHBondContact O-N 3.08Å |
| 119 | F | 71.5 | Confident | 72 | Confident | 128 Ų | 128 | 78 Ų | 78 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.1 | -42.4 | 174.2 | -109.6 | -71.5 | 0 | 0 | 0 | 112.6 | I115 A116 D122 V123 | I115-F119 PolarHBondContact O-N 3.15Å; A116-F119 PolarHBondContact O-N 3.19Å; F119-D122 PolarHBondContact O-N 2.93Å; F119-V123 WeakPolarHBondContact O-CB 3.19Å; F119-V123 VanDerWaalsContact O-CG2 3.23Å; F119-V123 WeakPolarHBondContact O-CG2 3.16Å; F119-V123 PolarHBondContact O-N 3.45Å |
| 120 | L | 74.4 | Confident | 71.7 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 178.5 | -177.6 | 63 | 0 | 0 | 0 | 110.7 | A116 L117 F118 V123 L124 | A116-L120 WeakPolarHBondContact O-CB 3.15Å; A116-L120 PolarHBondContact O-N 3.16Å; L117-L120 HydrophobicContact CD2-CD2 4.26Å; L117-L120 PolarHBondContact O-N 3.1Å; F118-L120 VanDerWaalsContact C-N 3.32Å; F118-L120 PolarHBondContact O-N 3.4Å; L120-V123 PolarHBondContact O-N 3.37Å; L120-L124 HydrophobicContact CD1-CD1 3.58Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 WeakPolarHBondContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CD1 3.25Å; L120-L124 PolarHBondContact O-N 3.08Å |
| 121 | M | 71 | Confident | 71.1 | Confident | 97 Ų | 97 | 78.3 Ų | 78.3 | 48% | 0.478 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 176.8 | -72.5 | -61.5 | -163 | 0 | 0 | 112.1 | L83 L117 F118 L124 L125 | L83-M121 HydrophobicContact CD1-CB 4.39Å; L117-M121 WeakPolarHBondContact O-CB 3.1Å; L117-M121 VanDerWaalsContact O-CG 3.31Å; L117-M121 WeakPolarHBondContact O-CG 3.44Å; L117-M121 PolarHBondContact O-N 2.84Å; F118-M121 PolarHBondContact O-N 3.45Å; M121-L124 PolarHBondContact O-N 3.22Å; M121-L125 HydrophobicContact CB-CD1 4.47Å; M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 WeakPolarHBondContact O-CD1 3.5Å; M121-L125 PolarHBondContact O-N 2.87Å |
| 122 | D | 73.1 | Confident | 70.3 | Confident | 31 Ų | 31 | 81.9 Ų | 81.9 | 17% | 0.166 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 173 | 179.9 | 59 | 0 | 0 | 0 | 111.2 | F118 F119 L125 R126 | F118-D122 WeakPolarHBondContact O-CB 3.43Å; F118-D122 PolarHBondContact O-N 3.08Å; F119-D122 PolarHBondContact O-N 2.93Å; D122-L125 PolarHBondContact O-N 3.05Å; D122-R126 VanDerWaalsContact O-CB 3.3Å; D122-R126 WeakPolarHBondContact O-CB 3.24Å; D122-R126 PolarHBondContact O-N 3.43Å; D122-R126 IonicContact OD1-NH2 3.97Å; D122-R126 IonicContact OD2-CZ 3.79Å; D122-R126 IonicContact OD2-NH2 2.86Å; D122-R126 PolarHBondContact OD2-NH2 3.45Å |
| 123 | V | 72.5 | Confident | 69.3 | Low | 68 Ų | 68 | 84.6 Ų | 84.6 | 41% | 0.412 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | F119 L120 R126 V127 | F119-V123 WeakPolarHBondContact O-CB 3.19Å; F119-V123 VanDerWaalsContact O-CG2 3.23Å; F119-V123 WeakPolarHBondContact O-CG2 3.16Å; F119-V123 PolarHBondContact O-N 3.45Å; L120-V123 PolarHBondContact O-N 3.37Å; V123-R126 PolarHBondContact O-N 3.42Å; V123-V127 HydrophobicContact CG1-CG2 4.28Å; V123-V127 VanDerWaalsContact O-CB 3.3Å; V123-V127 WeakPolarHBondContact O-CB 3.38Å; V123-V127 WeakPolarHBondContact O-CG2 3.37Å; V123-V127 PolarHBondContact O-N 2.89Å |
| 124 | L | 71.6 | Confident | 68.3 | Low | 71 Ų | 71 | 86.1 Ų | 86.1 | 37% | 0.372 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 175.9 | -98.8 | 70.3 | 0 | 0 | 0 | 110.8 | L120 M121 V127 F128 | L120-L124 HydrophobicContact CD1-CD1 3.58Å; L120-L124 HydrophobicContact CG-CD1 3.97Å; L120-L124 WeakPolarHBondContact O-CB 3.24Å; L120-L124 WeakPolarHBondContact O-CD1 3.25Å; L120-L124 PolarHBondContact O-N 3.08Å; M121-L124 PolarHBondContact O-N 3.22Å; L124-V127 PolarHBondContact O-N 3.12Å; L124-F128 VanDerWaalsContact O-CB 3.28Å; L124-F128 WeakPolarHBondContact O-CB 3.38Å; L124-F128 VanDerWaalsContact O-CD2 3.26Å; L124-F128 WeakPolarHBondContact O-CD2 3.4Å; L124-F128 PolarHBondContact O-N 2.98Å |
| 125 | L | 70.6 | Confident | 67.1 | Low | 31 Ų | 31 | 92.9 Ų | 92.9 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 178.2 | -91.9 | 78.3 | 0 | 0 | 0 | 111.4 | F76 F79 L83 M121 D122 F128 V129 | F76-L125 HydrophobicContact CD1-CG 4.44Å; F76-L125 HydrophobicContact CE1-CG 4.17Å; F79-L125 HydrophobicContact CB-CD2 3.96Å; L83-L125 HydrophobicContact CD1-CD1 3.94Å; L83-L125 HydrophobicContact CD1-CD2 3.58Å; L83-L125 HydrophobicContact CD1-CG 4.27Å; M121-L125 HydrophobicContact CB-CD1 4.47Å; M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 WeakPolarHBondContact O-CD1 3.5Å; M121-L125 PolarHBondContact O-N 2.87Å; D122-L125 PolarHBondContact O-N 3.05Å; L125-F128 PolarHBondContact O-N 2.87Å; L125-V129 VanDerWaalsContact O-CB 3.31Å; L125-V129 WeakPolarHBondContact O-CB 3.4Å; L125-V129 VanDerWaalsContact O-CG2 3.27Å; L125-V129 WeakPolarHBondContact O-CG2 3.28Å; L125-V129 PolarHBondContact O-N 3.05Å |
| 126 | R | 70.9 | Confident | 65.8 | Low | 154 Ų | 154 | 97.4 Ų | 97.4 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.3 | -48.3 | 174.7 | -168.4 | 179 | -53.4 | -172.2 | 6.1 | 111 | D122 V123 F128 V129 E130 | D122-R126 VanDerWaalsContact O-CB 3.3Å; D122-R126 WeakPolarHBondContact O-CB 3.24Å; D122-R126 PolarHBondContact O-N 3.43Å; D122-R126 IonicContact OD1-NH2 3.97Å; D122-R126 IonicContact OD2-CZ 3.79Å; D122-R126 IonicContact OD2-NH2 2.86Å; D122-R126 PolarHBondContact OD2-NH2 3.45Å; V123-R126 PolarHBondContact O-N 3.42Å; R126-F128 PolarHBondContact O-N 2.99Å; R126-V129 PolarHBondContact O-N 2.82Å; R126-E130 WeakPolarHBondContact O-CB 3.29Å; R126-E130 PolarHBondContact O-N 2.88Å |
| 127 | V | 66.8 | Low | 64.5 | Low | 67 Ų | 67 | 99.2 Ų | 99.2 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | V123 L124 R131 | V123-V127 HydrophobicContact CG1-CG2 4.28Å; V123-V127 VanDerWaalsContact O-CB 3.3Å; V123-V127 WeakPolarHBondContact O-CB 3.38Å; V123-V127 WeakPolarHBondContact O-CG2 3.37Å; V123-V127 PolarHBondContact O-N 2.89Å; L124-V127 PolarHBondContact O-N 3.12Å; V127-R131 HydrophobicContact CG1-CG 4.26Å; V127-R131 WeakPolarHBondContact O-CB 3.35Å; V127-R131 WeakPolarHBondContact O-CG 3.29Å; V127-R131 PolarHBondContact O-N 2.74Å |
| 128 | F | 63.9 | Low | 63.2 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 176.3 | -95.2 | -82.1 | 0 | 0 | 0 | 111.4 | F76 L124 L125 R126 R132 | F76-F128 HydrophobicContact CE1-CB 4.25Å; L124-F128 VanDerWaalsContact O-CB 3.28Å; L124-F128 WeakPolarHBondContact O-CB 3.38Å; L124-F128 VanDerWaalsContact O-CD2 3.26Å; L124-F128 WeakPolarHBondContact O-CD2 3.4Å; L124-F128 PolarHBondContact O-N 2.98Å; L125-F128 PolarHBondContact O-N 2.87Å; R126-F128 PolarHBondContact O-N 2.99Å; F128-R132 WeakPolarHBondContact O-CB 3.27Å; F128-R132 WeakPolarHBondContact O-CG 3.44Å; F128-R132 PolarHBondContact O-N 3.37Å |
| 129 | V | 60.7 | Low | 62.4 | Low | 62 Ų | 62 | 108.8 Ų | 108.8 | 38% | 0.376 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -50.1 | 179.6 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | F76 L125 R126 R131 R132 Q133 | F76-V129 HydrophobicContact CD1-CG2 3.74Å; F76-V129 HydrophobicContact CE1-CG2 4.44Å; L125-V129 VanDerWaalsContact O-CB 3.31Å; L125-V129 WeakPolarHBondContact O-CB 3.4Å; L125-V129 VanDerWaalsContact O-CG2 3.27Å; L125-V129 WeakPolarHBondContact O-CG2 3.28Å; L125-V129 PolarHBondContact O-N 3.05Å; R126-V129 PolarHBondContact O-N 2.82Å; V129-R131 PolarHBondContact O-N 2.85Å; V129-R132 PolarHBondContact O-N 3.39Å; V129-Q133 PolarHBondContact O-N 3.03Å; V129-Q133 VanDerWaalsContact O-N 3.14Å |
| 130 | E | 62.8 | Low | 61.2 | Low | 107 Ų | 107 | 115.5 Ų | 115.5 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 178.7 | -163.1 | 81.3 | -135.4 | 0 | 0 | 110.5 | R126 R132 Q133 Q134 | R126-E130 WeakPolarHBondContact O-CB 3.29Å; R126-E130 PolarHBondContact O-N 2.88Å; E130-R132 PolarHBondContact O-N 2.82Å; E130-Q133 PolarHBondContact O-N 2.93Å; E130-Q134 PolarHBondContact O-N 2.95Å |
| 131 | R | 56 | Low | 60.5 | Low | 163 Ų | 163 | 116.6 Ų | 116.6 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.2 | -26.9 | 177.9 | -67.5 | -162.7 | -176.6 | -148.1 | 5.9 | 113.6 | V127 V129 Y135 | V127-R131 HydrophobicContact CG1-CG 4.26Å; V127-R131 WeakPolarHBondContact O-CB 3.35Å; V127-R131 WeakPolarHBondContact O-CG 3.29Å; V127-R131 PolarHBondContact O-N 2.74Å; V129-R131 PolarHBondContact O-N 2.85Å; R131-Y135 WeakPolarHBondContact O-CB 3.5Å; R131-Y135 WeakPolarHBondContact O-CD2 3.2Å; R131-Y135 PolarHBondContact O-N 2.93Å; R131-Y135 VanDerWaalsContact O-N 3.13Å |
| 132 | R | 59.2 | Low | 60 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 42% | 0.415 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.7 | -33.7 | 174.9 | -73.8 | -76.5 | -65.8 | -159.8 | 6.3 | 112 | F128 V129 E130 F136 | F128-R132 WeakPolarHBondContact O-CB 3.27Å; F128-R132 WeakPolarHBondContact O-CG 3.44Å; F128-R132 PolarHBondContact O-N 3.37Å; V129-R132 PolarHBondContact O-N 3.39Å; E130-R132 PolarHBondContact O-N 2.82Å; R132-F136 WeakPolarHBondContact O-CD2 3.49Å |
| 133 | Q | 53.1 | Low | 59.3 | Low | 138 Ų | 138 | 122.4 Ų | 122.4 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.9 | -38.1 | 177.1 | -76.3 | -156.5 | -27.4 | 0 | 0 | 113.1 | V129 E130 S137 | V129-Q133 PolarHBondContact O-N 3.03Å; V129-Q133 VanDerWaalsContact O-N 3.14Å; E130-Q133 PolarHBondContact O-N 2.93Å; Q133-S137 PolarHBondContact O-OG 3.33Å |
| 134 | Q | 53.4 | Low | 58.5 | Low | 132 Ų | 132 | 125.6 Ų | 125.6 | 62% | 0.617 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.4 | -25.8 | 178.2 | -92.5 | 149.7 | -19.6 | 0 | 0 | 114.4 | E130 F136 | E130-Q134 PolarHBondContact O-N 2.95Å; Q134-F136 VanDerWaalsContact C-N 3.32Å; Q134-F136 PolarHBondContact O-N 2.77Å |
| 135 | Y | 51.5 | Low | 57.7 | Low | 173 Ų | 173 | 129.1 Ų | 129.1 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72 | -21.4 | 176.8 | -104.1 | -92.5 | 0 | 0 | 0 | 114.7 | R131 | R131-Y135 WeakPolarHBondContact O-CB 3.5Å; R131-Y135 WeakPolarHBondContact O-CD2 3.2Å; R131-Y135 PolarHBondContact O-N 2.93Å; R131-Y135 VanDerWaalsContact O-N 3.13Å |
| 136 | F | 50.6 | Low | 56.8 | Low | 137 Ų | 137 | 135.6 Ų | 135.6 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -107.5 | -9.6 | -177.5 | -77.5 | -74.3 | 0 | 0 | 0 | 114.5 | R132 Q134 | R132-F136 WeakPolarHBondContact O-CD2 3.49Å; Q134-F136 VanDerWaalsContact C-N 3.32Å; Q134-F136 PolarHBondContact O-N 2.77Å |
| 137 | S | 50 | Low | 55.8 | Low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -86.6 | -13.1 | -179.8 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | Q133 | Q133-S137 PolarHBondContact O-OG 3.33Å |
| 138 | D | 49.3 | Very low | 55 | Low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -107.7 | 6.5 | -175.2 | -119.5 | 16.1 | 0 | 0 | 0 | 113.3 | ||
| 139 | L | 57.8 | Low | 54.2 | Low | 150 Ų | 150 | 140.8 Ų | 140.8 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -110.9 | 15.9 | -178.2 | -134.9 | 106.5 | 0 | 0 | 0 | 113.8 | ||||
| 140 | F | 46.3 | Very low | 53.6 | Low | 269 Ų | 269 | 148 Ų | 148 | 100% | 1.18 | 68% | 0.684 | S | S | * | * | trans | -132.2 | 0 | 175.8 | -117.2 | -80.8 | 0 | 0 | 0 | 111.8 |
Retrieved 140 of 140 residues in 25.6 ms
(Link to these results)