| 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 | 32.8 | Very low | 26.5 | Very low | 243 Ų | 243 | 144.1 Ų | 144.1 | 100% | 1.197 | 79% | 0.788 | S | S | * | * | 0 | 106.5 | 0 | -72 | 163.6 | 164.5 | 0 | 0 | 105.6 | |||||
| 2 | N | 33 | Very low | 26.4 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | cis | -150.6 | 143.9 | 14.6 | -127 | 8.1 | 0 | 0 | 0 | 107.5 | ||||
| 3 | S | 24 | Very low | 26.3 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -51.3 | 161.5 | 162.6 | -47.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | T | 28.5 | Very low | 26.2 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | -175.7 | 142.6 | 29.3 | -15 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 5 | S | 25.9 | Very low | 26.4 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 57% | 0.566 | 79% | 0.792 | S | S | * | * | trans | 53.8 | 117.5 | 135.2 | -67.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 6 | E | 25.8 | Very low | 26.4 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | 80 | 137.1 | 93.6 | -72.7 | 165.6 | 133.5 | 0 | 0 | 111.3 | |||||
| 7 | E | 25.1 | Very low | 26.3 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | cis | -166.3 | 154.5 | 11.6 | -130 | -174.5 | 122.8 | 0 | 0 | 108.6 | ||||
| 8 | M | 24.1 | Very low | 26.7 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 27.2 | 145.6 | 138.8 | -98.2 | 173.7 | -96.1 | 0 | 0 | 121.6 | ||||
| 9 | A | 24.3 | Very low | 26.5 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | cis | -165 | 142.6 | 15.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | M | 24.5 | Very low | 26.8 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | 59.8 | 106.4 | 110.2 | -162.6 | 168.9 | 170 | 0 | 0 | 117 | |||||
| 11 | D | 23.5 | Very low | 26.7 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | -168.1 | 156.9 | 123.4 | -113.6 | -23.3 | 0 | 0 | 0 | 113.5 | |||||
| 12 | S | 25.3 | Very low | 26.6 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -99.9 | 148.1 | -163.1 | -50.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 13 | E | 25.1 | Very low | 26.3 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | -165.6 | 112.6 | 153.2 | -113.6 | 171 | -171.8 | 0 | 0 | 115.5 | ||||
| 14 | V | 24.6 | Very low | 26.4 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 23.6 | 144.3 | 134.5 | -174.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 15 | P | 29.4 | Very low | 26.5 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -94 | 152.4 | -156.9 | 37.3 | -31.2 | 0 | 0 | 0 | 115.8 | ||
| 16 | Q | 26.7 | Very low | 27 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 119.5 | 172.5 | -75.5 | -178.3 | -22 | 0 | 0 | 111.7 | ||
| 17 | N | 24.1 | Very low | 27.5 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 142.5 | 171.6 | -112.3 | -1.5 | 0 | 0 | 0 | 110.9 | ||
| 18 | E | 33.2 | Very low | 28.1 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 135.4 | 168.4 | -68.8 | 172.8 | 119.3 | 0 | 0 | 113 | ||
| 19 | S | 24.4 | Very low | 28.3 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -154.5 | 115.1 | 144.4 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | I21 | S19-I21 PolarHBondContact O-N 2.91Š| ||
| 20 | L | 31.3 | Very low | 29 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -63.8 | 98.7 | 169.9 | -166.8 | 152.3 | 0 | 0 | 0 | 108.9 | R22 | L20-R22 HydrophobicContact CD2-CG 4.31Š| ||
| 21 | I | 25.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 142 Ų | 142 | 56% | 0.559 | 76% | 0.761 | S | S | * | * | trans | -95.6 | 96.8 | 172.9 | -53.8 | -175.5 | 0 | 0 | 0 | 109.1 | S19 F23 | S19-I21 PolarHBondContact O-N 2.91Å; I21-F23 HydrophobicContact CB-CD2 4.13Å; I21-F23 HydrophobicContact CB-CE2 3.9Å; I21-F23 HydrophobicContact CD1-CE2 4.42Å; I21-F23 HydrophobicContact CD1-CZ 4.49Å; I21-F23 HydrophobicContact CG2-CD1 4.25Å; I21-F23 HydrophobicContact CG2-CD2 3.47Å; I21-F23 VanDerWaalsContact CG2-CD2 3.47Å; I21-F23 HydrophobicContact CG2-CE1 4.14Å; I21-F23 HydrophobicContact CG2-CE2 3.35Å; I21-F23 HydrophobicContact CG2-CG 3.95Å; I21-F23 HydrophobicContact CG2-CZ 3.71Å; I21-F23 PolarHBondContact O-N 3.08Å | ||
| 22 | R | 30 | Very low | 30.1 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | -59.4 | 101.3 | 152.2 | -76.7 | -167.9 | -172.3 | -155.4 | 3.7 | 107.1 | L20 A24 | L20-R22 HydrophobicContact CD2-CG 4.31Å; R22-A24 PolarHBondContact O-N 3.29Å | ||
| 23 | F | 26.3 | Very low | 31.1 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -74 | 114.9 | 167.1 | -86.7 | -79.3 | 0 | 0 | 0 | 108.7 | I21 S25 | I21-F23 HydrophobicContact CB-CD2 4.13Å; I21-F23 HydrophobicContact CB-CE2 3.9Å; I21-F23 HydrophobicContact CD1-CE2 4.42Å; I21-F23 HydrophobicContact CD1-CZ 4.49Å; I21-F23 HydrophobicContact CG2-CD1 4.25Å; I21-F23 HydrophobicContact CG2-CD2 3.47Å; I21-F23 VanDerWaalsContact CG2-CD2 3.47Å; I21-F23 HydrophobicContact CG2-CE1 4.14Å; I21-F23 HydrophobicContact CG2-CE2 3.35Å; I21-F23 HydrophobicContact CG2-CG 3.95Å; I21-F23 HydrophobicContact CG2-CZ 3.71Å; I21-F23 PolarHBondContact O-N 3.08Å; F23-S25 PolarHBondContact O-N 3.27Å | ||
| 24 | A | 27.8 | Very low | 31.7 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 71% | 0.711 | S | S | * | * | trans | -53 | 131.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R22 | R22-A24 PolarHBondContact O-N 3.29Š| ||
| 25 | S | 30.7 | Very low | 32.6 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -45.9 | 125.6 | 158.2 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | F23 I27 | F23-S25 PolarHBondContact O-N 3.27Å; S25-I27 PolarHBondContact O-N 2.81Å | ||
| 26 | P | 35.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | trans | -63.9 | 128.1 | 171.4 | -6.3 | 20.5 | 0 | 0 | 0 | 107.1 | L28 | P26-L28 PolarHBondContact O-N 3.25Š| ||
| 27 | I | 37.3 | Very low | 34.2 | Very low | 169 Ų | 169 | 119 Ų | 119 | 87% | 0.867 | 64% | 0.635 | S | S | * | * | trans | -68.4 | 82.1 | 164 | -58.7 | 174.5 | 0 | 0 | 0 | 105.5 | S25 | S25-I27 PolarHBondContact O-N 2.81Š| ||
| 28 | L | 37.4 | Very low | 35.3 | Very low | 91 Ų | 91 | 114.1 Ų | 114.1 | 48% | 0.476 | 61% | 0.609 | S | S | . | * | trans | -88.9 | 119 | 171.5 | -161.2 | 70.6 | 0 | 0 | 0 | 106.4 | P26 K30 I33 M36 | P26-L28 PolarHBondContact O-N 3.25Å; L28-K30 PolarHBondContact O-N 3.46Å; L28-I33 HydrophobicContact CB-CD1 4.35Å; L28-I33 HydrophobicContact CD2-CD1 4.25Å; L28-I33 HydrophobicContact CD2-CG1 3.95Å; L28-I33 HydrophobicContact CG-CD1 4.47Å; L28-I33 HydrophobicContact CG-CG1 4.34Å; L28-M36 HydrophobicContact CD2-CE 4.37Å | ||
| 29 | N | 28.3 | Very low | 36.1 | Very low | 107 Ų | 107 | 106.5 Ų | 106.5 | 57% | 0.572 | 57% | 0.574 | S | S | * | * | trans | -52.8 | 128.6 | -177 | -104.4 | -19.5 | 0 | 0 | 0 | 110.5 | S31 D32 | N29-S31 PolarHBondContact O-N 3.06Å; N29-D32 PolarHBondContact O-N 3.46Å; N29-D32 VanDerWaalsContact O-N 3.08Å | ||
| 30 | K | 37.9 | Very low | 37 | Very low | 197 Ų | 197 | 106.8 Ų | 106.8 | 86% | 0.857 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -6.5 | -177.4 | -157.9 | 173.4 | -177.5 | 177 | 0 | 114.1 | L28 | L28-K30 PolarHBondContact O-N 3.46Š|
| 31 | S | 36.1 | Very low | 37.4 | Very low | 84 Ų | 84 | 102.2 Ų | 102.2 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -17.7 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | N29 | N29-S31 PolarHBondContact O-N 3.06Š|
| 32 | D | 36.6 | Very low | 38.2 | Very low | 109 Ų | 109 | 101.1 Ų | 101.1 | 58% | 0.583 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -99.6 | 1.7 | 177.6 | -63.8 | -39.9 | 0 | 0 | 0 | 112.2 | N29 S34 | N29-D32 PolarHBondContact O-N 3.46Å; N29-D32 VanDerWaalsContact O-N 3.08Å; D32-S34 VanDerWaalsContact C-N 3.32Å; D32-S34 PolarHBondContact O-N 3.22Å |
| 33 | I | 45.8 | Very low | 38.7 | Very low | 59 Ų | 59 | 97.4 Ų | 97.4 | 30% | 0.303 | 56% | 0.556 | S | S | . | * | trans | -99.1 | 53.3 | 174.3 | -49.4 | 166.8 | 0 | 0 | 0 | 108.6 | L28 | L28-I33 HydrophobicContact CB-CD1 4.35Å; L28-I33 HydrophobicContact CD2-CD1 4.25Å; L28-I33 HydrophobicContact CD2-CG1 3.95Å; L28-I33 HydrophobicContact CG-CD1 4.47Å; L28-I33 HydrophobicContact CG-CG1 4.34Å | ||
| 34 | S | 37.5 | Very low | 39.7 | Very low | 73 Ų | 73 | 91.4 Ų | 91.4 | 51% | 0.51 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -126.2 | 109.2 | 163.3 | 56.8 | 0 | 0 | 0 | 0 | 104.9 | D32 | D32-S34 VanDerWaalsContact C-N 3.32Å; D32-S34 PolarHBondContact O-N 3.22Å |
| 35 | N | 43.6 | Very low | 40.2 | Very low | 109 Ų | 109 | 91 Ų | 91 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 85.4 | 32.4 | -178.2 | -37.8 | -40.6 | 0 | 0 | 0 | 117.1 | D294 | N35-D294 PolarHBondContact N-OD1 2.85Š|
| 36 | M | 40.9 | Very low | 40.9 | Very low | 73 Ų | 73 | 92.2 Ų | 92.2 | 36% | 0.36 | 53% | 0.531 | S | S | . | . | trans | -120 | 122.2 | 171.6 | -167.4 | 147.6 | 59 | 0 | 0 | 111.4 | L28 A48 | L28-M36 HydrophobicContact CD2-CE 4.37Å; M36-A48 HydrophobicContact SD-CB 4.29Å | ||
| 37 | T | 47.9 | Very low | 41.5 | Very low | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 51% | 0.513 | C | S | . | . | trans | -95.4 | 123 | 177.8 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | H49 I51 L291 F292 I293 | T37-H49 PolarHBondContact O-N 3.28Å; T37-I51 HydrophobicContact CG2-CD1 3.54Å; T37-I51 HydrophobicContact CG2-CG1 3.68Å; T37-L291 HydrophobicContact CG2-CB 4.26Å; T37-L291 HydrophobicContact CG2-CD2 3.68Å; T37-F292 VanDerWaalsContact CA-O 3.31Å; T37-F292 WeakPolarHBondContact CA-O 3.27Å; T37-I293 HydrophobicContact CG2-CG1 4Å | ||
| 38 | I | 48.4 | Very low | 41.9 | Very low | 55 Ų | 55 | 84.6 Ų | 84.6 | 28% | 0.282 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.3 | -179.9 | -59.6 | 175.5 | 0 | 0 | 0 | 108.5 | I46 F292 | I38-I46 HydrophobicContact CG2-CG2 3.7Å; I38-F292 HydrophobicContact CB-CB 4.15Å; I38-F292 HydrophobicContact CB-CD2 4.28Å; I38-F292 HydrophobicContact CG2-CD2 4.39Å; I38-F292 PolarHBondContact N-O 3.02Å; I38-F292 VanDerWaalsContact N-O 3.12Å; I38-F292 PolarHBondContact O-N 2.97Å; I38-F292 VanDerWaalsContact O-N 3.12Å |
| 39 | I | 49.2 | Very low | 42.6 | Very low | 34 Ų | 34 | 86.2 Ų | 86.2 | 17% | 0.174 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.8 | 174.2 | -41 | -161.9 | 0 | 0 | 0 | 108.6 | T41 V47 H49 P288 L291 | I39-T41 PolarHBondContact O-N 3.07Å; I39-V47 WeakPolarHBondContact CB-O 3.21Å; I39-V47 WeakPolarHBondContact CG1-O 3.16Å; I39-V47 PolarHBondContact N-O 3.46Å; I39-V47 VanDerWaalsContact N-O 3.12Å; I39-V47 PolarHBondContact O-N 3Å; I39-H49 HydrophobicContact CD1-CB 4.17Å; I39-P288 HydrophobicContact CG2-CB 3.81Å; I39-P288 HydrophobicContact CG2-CG 3.79Å; I39-L291 HydrophobicContact CB-CD2 3.93Å; I39-L291 HydrophobicContact CD1-CD2 3.96Å; I39-L291 HydrophobicContact CG1-CD2 3.44Å; I39-L291 VanDerWaalsContact CG1-CD2 3.44Å; I39-L291 HydrophobicContact CG2-CD2 4.01Å |
| 40 | Q | 42.6 | Very low | 43.7 | Very low | 106 Ų | 106 | 85.9 Ų | 85.9 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 100.9 | 169.4 | -167.6 | 174.7 | 5.4 | 0 | 0 | 108.9 | ||
| 41 | T | 40.9 | Very low | 44.9 | Very low | 62 Ų | 62 | 77.7 Ų | 77.7 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | trans | -75.1 | 150.1 | 175.8 | -37 | 0 | 0 | 0 | 0 | 109.2 | I39 N43 G44 T45 | I39-T41 PolarHBondContact O-N 3.07Å; T41-N43 PolarHBondContact O-N 2.97Å; T41-G44 PolarHBondContact O-N 3.2Å; T41-T45 PolarHBondContact N-O 3.25Å; T41-T45 PolarHBondContact OG1-O 3.08Å | ||
| 42 | G | 41.4 | Very low | 46.6 | Very low | 86 Ų | 86 | 78.4 Ų | 78.4 | 89% | 0.887 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -10.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 43 | N | 41.8 | Very low | 48.1 | Very low | 152 Ų | 152 | 73.7 Ų | 73.7 | 81% | 0.813 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 8.3 | 172.7 | -81.4 | 2.6 | 0 | 0 | 0 | 114.5 | T41 T45 | T41-N43 PolarHBondContact O-N 2.97Å; N43-T45 PolarHBondContact O-N 2.74Å |
| 44 | G | 46.4 | Very low | 49.1 | Very low | 55 Ų | 55 | 72.6 Ų | 72.6 | 57% | 0.567 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 74.2 | 8.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T41 I46 | T41-G44 PolarHBondContact O-N 3.2Å; G44-I46 PolarHBondContact O-N 3.4Å |
| 45 | T | 38.5 | Very low | 51 | Low | 77 Ų | 77 | 71.8 Ų | 71.8 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | trans | -80.8 | 116.6 | 172.7 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | T41 N43 V47 | T41-T45 PolarHBondContact N-O 3.25Å; T41-T45 PolarHBondContact OG1-O 3.08Å; N43-T45 PolarHBondContact O-N 2.74Å; T45-V47 PolarHBondContact O-N 3.09Å | ||
| 46 | I | 45.8 | Very low | 52.6 | Low | 124 Ų | 124 | 72 Ų | 72 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 108.3 | 170.9 | -67.3 | 167.9 | 0 | 0 | 0 | 107.7 | I38 G44 | I38-I46 HydrophobicContact CG2-CG2 3.7Å; G44-I46 PolarHBondContact O-N 3.4Å |
| 47 | V | 47 | Very low | 54.6 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 38% | 0.376 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 111.9 | 170.7 | -176.6 | 0 | 0 | 0 | 0 | 106.6 | I39 T45 H49 | I39-V47 WeakPolarHBondContact CB-O 3.21Å; I39-V47 WeakPolarHBondContact CG1-O 3.16Å; I39-V47 PolarHBondContact N-O 3.46Å; I39-V47 VanDerWaalsContact N-O 3.12Å; I39-V47 PolarHBondContact O-N 3Å; T45-V47 PolarHBondContact O-N 3.09Å; V47-H49 PolarHBondContact O-N 2.87Å |
| 48 | A | 45.7 | Very low | 56.1 | Low | 62 Ų | 62 | 71.6 Ų | 71.6 | 51% | 0.512 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 102.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | M36 | M36-A48 HydrophobicContact SD-CB 4.29Å |
| 49 | H | 51.9 | Low | 57.7 | Low | 124 Ų | 124 | 71.3 Ų | 71.3 | 57% | 0.574 | 43% | 0.43 | S | S | * | . | trans | -128.3 | 121.9 | 174.5 | -119.4 | -68.1 | 0 | 0 | 0 | 107.6 | T37 I39 V47 I51 | T37-H49 PolarHBondContact O-N 3.28Å; I39-H49 HydrophobicContact CD1-CB 4.17Å; V47-H49 PolarHBondContact O-N 2.87Å; H49-I51 PolarHBondContact O-N 3.05Å; H49-I51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | D | 52.6 | Low | 59.5 | Low | 100 Ų | 100 | 72.1 Ų | 72.1 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | trans | -62.8 | 115.6 | 169.1 | -70.3 | -22.7 | 0 | 0 | 0 | 108.1 | F52 | D50-F52 PolarHBondContact O-N 3.12Š| ||
| 51 | I | 62.9 | Low | 61.8 | Low | 25 Ų | 25 | 70.6 Ų | 70.6 | 13% | 0.128 | 44% | 0.437 | C | S | . | . | trans | -60.4 | 128.3 | 171.6 | -58.5 | 177.2 | 0 | 0 | 0 | 106.7 | T37 H49 L53 N54 L291 I293 V303 | T37-I51 HydrophobicContact CG2-CD1 3.54Å; T37-I51 HydrophobicContact CG2-CG1 3.68Å; H49-I51 PolarHBondContact O-N 3.05Å; H49-I51 VanDerWaalsContact O-N 3.11Å; I51-L53 HydrophobicContact CG2-CB 3.93Å; I51-L53 HydrophobicContact CG2-CD1 4.22Å; I51-L53 HydrophobicContact CG2-CG 4.1Å; I51-L53 PolarHBondContact O-N 3.06Å; I51-N54 PolarHBondContact O-N 3.16Å; I51-L291 HydrophobicContact CD1-CD1 3.85Å; I51-L291 HydrophobicContact CD1-CD2 4.13Å; I51-L291 HydrophobicContact CD1-CG 4.45Å; I51-I293 HydrophobicContact CD1-CD1 4.41Å; I51-V303 HydrophobicContact CD1-CG1 4.32Å; I51-V303 HydrophobicContact CD1-CG2 4.46Å | ||
| 52 | F | 70.6 | Confident | 64 | Low | 100 Ų | 100 | 67.6 Ų | 67.6 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -48.5 | -33.9 | 178.8 | 175.6 | -100.2 | 0 | 0 | 0 | 113.3 | D50 N54 T55 A58 W307 F310 | D50-F52 PolarHBondContact O-N 3.12Å; F52-N54 VanDerWaalsContact C-N 3.28Å; F52-N54 PolarHBondContact O-N 3.07Å; F52-T55 WeakPolarHBondContact CA-OG1 3.39Å; F52-T55 WeakPolarHBondContact O-CB 3.32Å; F52-T55 PolarHBondContact O-N 3.38Å; F52-T55 VanDerWaalsContact O-N 3.16Å; F52-T55 PolarHBondContact O-OG1 3.48Å; F52-A58 HydrophobicContact CD1-CB 4.14Å; F52-A58 HydrophobicContact CE1-CB 3.83Å; F52-A58 HydrophobicContact CZ-CB 4.11Å; F52-A58 WeakPolarHBondContact O-CB 3.02Å; F52-W307 HydrophobicContact CB-CH2 4.23Å; F52-W307 HydrophobicContact CB-CZ2 4.34Å; F52-W307 AromaticContact CD1-CH2 3.65Å; F52-W307 HydrophobicContact CD1-CH2 3.65Å; F52-W307 HydrophobicContact CD1-CZ2 4.47Å; F52-W307 HydrophobicContact CD1-CZ3 4.19Å; F52-W307 HydrophobicContact CE1-CH2 4.5Å; F52-W307 HydrophobicContact CG-CH2 4.32Å; F52-F310 HydrophobicContact CE1-CE1 4.16Å; F52-F310 AromaticContact CE1-CZ 3.94Å; F52-F310 HydrophobicContact CE1-CZ 3.94Å |
| 53 | L | 68.3 | Low | 66.3 | Low | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -61.3 | -32 | 177.1 | -65.1 | 175.6 | 0 | 0 | 0 | 113.8 | I51 T55 W307 F310 | I51-L53 HydrophobicContact CG2-CB 3.93Å; I51-L53 HydrophobicContact CG2-CD1 4.22Å; I51-L53 HydrophobicContact CG2-CG 4.1Å; I51-L53 PolarHBondContact O-N 3.06Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-W307 HydrophobicContact CD1-CB 4.4Å; L53-W307 HydrophobicContact CD1-CD2 3.89Å; L53-W307 HydrophobicContact CD1-CG 3.71Å; L53-W307 HydrophobicContact CD2-CD2 3.88Å; L53-W307 HydrophobicContact CD2-CE3 3.87Å; L53-W307 HydrophobicContact CD2-CG 4.37Å; L53-W307 HydrophobicContact CD2-CH2 4.47Å; L53-W307 HydrophobicContact CD2-CZ2 4.46Å; L53-W307 HydrophobicContact CD2-CZ3 4.18Å; L53-W307 HydrophobicContact CG-CD2 3.98Å; L53-W307 HydrophobicContact CG-CE3 4.42Å; L53-W307 HydrophobicContact CG-CG 4.33Å; L53-W307 HydrophobicContact CG-CZ2 4.13Å; L53-F310 HydrophobicContact CD2-CB 3.66Å; L53-F310 HydrophobicContact CD2-CD2 4.44Å; L53-F310 HydrophobicContact CD2-CG 3.96Å |
| 54 | N | 67.2 | Low | 68.8 | Low | 35 Ų | 35 | 61.7 Ų | 61.7 | 19% | 0.187 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -87.3 | -4.2 | -179.6 | -134.2 | -0.6 | 0 | 0 | 0 | 112.4 | I51 F52 | I51-N54 PolarHBondContact O-N 3.16Å; F52-N54 VanDerWaalsContact C-N 3.28Å; F52-N54 PolarHBondContact O-N 3.07Å |
| 55 | T | 77.9 | Confident | 71 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -74 | 135.5 | 177.2 | -36.2 | 0 | 0 | 0 | 0 | 109.8 | F52 L53 A57 A58 Q59 | F52-T55 WeakPolarHBondContact CA-OG1 3.39Å; F52-T55 WeakPolarHBondContact O-CB 3.32Å; F52-T55 PolarHBondContact O-N 3.38Å; F52-T55 VanDerWaalsContact O-N 3.16Å; F52-T55 PolarHBondContact O-OG1 3.48Å; L53-T55 VanDerWaalsContact C-N 3.3Å; T55-A57 HydrophobicContact CG2-CB 4.3Å; T55-A57 PolarHBondContact O-N 3.16Å; T55-A58 PolarHBondContact O-N 3.12Å; T55-Q59 PolarHBondContact O-N 3.12Å |
| 56 | T | 77.1 | Confident | 73.6 | Confident | 113 Ų | 113 | 57.8 Ų | 57.8 | 69% | 0.693 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -53.7 | -29.4 | 176.6 | -45.6 | 0 | 0 | 0 | 0 | 112.4 | A60 | T56-A60 WeakPolarHBondContact O-CB 3.37Å; T56-A60 PolarHBondContact O-N 3.11Å |
| 57 | A | 81.6 | Confident | 75.9 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T55 L61 | T55-A57 HydrophobicContact CG2-CB 4.3Å; T55-A57 PolarHBondContact O-N 3.16Å; A57-L61 VanDerWaalsContact O-CB 3.23Å; A57-L61 WeakPolarHBondContact O-CB 3.31Å; A57-L61 PolarHBondContact O-N 3.32Å |
| 58 | A | 79.9 | Confident | 78.1 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F52 T55 L61 S62 F310 | F52-A58 HydrophobicContact CD1-CB 4.14Å; F52-A58 HydrophobicContact CE1-CB 3.83Å; F52-A58 HydrophobicContact CZ-CB 4.11Å; F52-A58 WeakPolarHBondContact O-CB 3.02Å; T55-A58 PolarHBondContact O-N 3.12Å; A58-L61 PolarHBondContact O-N 3.47Å; A58-S62 WeakPolarHBondContact O-CB 3.21Å; A58-S62 PolarHBondContact O-N 2.91Å; A58-S62 PolarHBondContact O-OG 2.97Å; A58-F310 HydrophobicContact CB-CE2 4.07Å |
| 59 | Q | 82.3 | Confident | 80.4 | Confident | 49 Ų | 49 | 55 Ų | 55 | 23% | 0.229 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 174.8 | -66.5 | 179.2 | -3.4 | 0 | 0 | 112.2 | T55 S62 G63 | T55-Q59 PolarHBondContact O-N 3.12Å; Q59-S62 WeakPolarHBondContact CA-OG 3.47Å; Q59-S62 PolarHBondContact O-OG 3.42Å; Q59-G63 PolarHBondContact O-N 3.23Å |
| 60 | A | 87.3 | Confident | 82.4 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T56 G63 I64 | T56-A60 WeakPolarHBondContact O-CB 3.37Å; T56-A60 PolarHBondContact O-N 3.11Å; A60-G63 PolarHBondContact O-N 3.12Å; A60-I64 WeakPolarHBondContact O-CG1 3.33Å; A60-I64 PolarHBondContact O-N 3.36Å |
| 61 | L | 89.9 | Confident | 84.3 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 38% | 0.382 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -49.1 | 179.2 | -175.7 | 63.3 | 0 | 0 | 0 | 111.6 | A57 A58 G63 I64 F65 F310 | A57-L61 VanDerWaalsContact O-CB 3.23Å; A57-L61 WeakPolarHBondContact O-CB 3.31Å; A57-L61 PolarHBondContact O-N 3.32Å; A58-L61 PolarHBondContact O-N 3.47Å; L61-G63 VanDerWaalsContact C-N 3.31Å; L61-G63 PolarHBondContact O-N 3.25Å; L61-I64 PolarHBondContact O-N 3.23Å; L61-F65 HydrophobicContact CD1-CD2 4.12Å; L61-F65 HydrophobicContact CD1-CE2 3.56Å; L61-F65 HydrophobicContact CD1-CZ 4.47Å; L61-F65 HydrophobicContact CD2-CE2 4.41Å; L61-F65 HydrophobicContact CG-CD2 4.06Å; L61-F65 HydrophobicContact CG-CE2 3.76Å; L61-F65 WeakPolarHBondContact O-CD2 3.42Å; L61-F65 PolarHBondContact O-N 3.47Å; L61-F310 HydrophobicContact CD2-CZ 4.42Å |
| 62 | S | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 175.5 | 53 | 0 | 0 | 0 | 0 | 111.6 | A58 Q59 I64 F65 V66 | A58-S62 WeakPolarHBondContact O-CB 3.21Å; A58-S62 PolarHBondContact O-N 2.91Å; A58-S62 PolarHBondContact O-OG 2.97Å; Q59-S62 WeakPolarHBondContact CA-OG 3.47Å; Q59-S62 PolarHBondContact O-OG 3.42Å; S62-I64 PolarHBondContact O-N 3.01Å; S62-F65 PolarHBondContact O-N 2.93Å; S62-V66 WeakPolarHBondContact O-CB 3.33Å; S62-V66 WeakPolarHBondContact O-CG2 3.49Å; S62-V66 PolarHBondContact O-N 3.32Å |
| 63 | G | 90 | Very high | 86.8 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q59 A60 L61 F65 V66 W67 | Q59-G63 PolarHBondContact O-N 3.23Å; A60-G63 PolarHBondContact O-N 3.12Å; L61-G63 VanDerWaalsContact C-N 3.31Å; L61-G63 PolarHBondContact O-N 3.25Å; G63-F65 PolarHBondContact O-N 2.97Å; G63-V66 PolarHBondContact O-N 2.91Å; G63-W67 WeakPolarHBondContact O-CB 3.48Å; G63-W67 PolarHBondContact O-N 3.41Å |
| 64 | I | 93.1 | Very high | 87.9 | Confident | 106 Ų | 106 | 50.4 Ų | 50.4 | 54% | 0.544 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 178 | -69 | 164.6 | 0 | 0 | 0 | 111.2 | A60 L61 S62 S68 | A60-I64 WeakPolarHBondContact O-CG1 3.33Å; A60-I64 PolarHBondContact O-N 3.36Å; L61-I64 PolarHBondContact O-N 3.23Å; S62-I64 PolarHBondContact O-N 3.01Å; I64-S68 VanDerWaalsContact O-CB 3.32Å; I64-S68 WeakPolarHBondContact O-CB 3.43Å; I64-S68 PolarHBondContact O-N 3.39Å; I64-S68 PolarHBondContact O-OG 3.33Å |
| 65 | F | 92.8 | Very high | 89 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 177.6 | -78.4 | -67.4 | 0 | 0 | 0 | 111.9 | L61 S62 G63 S68 A69 I314 F317 | L61-F65 HydrophobicContact CD1-CD2 4.12Å; L61-F65 HydrophobicContact CD1-CE2 3.56Å; L61-F65 HydrophobicContact CD1-CZ 4.47Å; L61-F65 HydrophobicContact CD2-CE2 4.41Å; L61-F65 HydrophobicContact CG-CD2 4.06Å; L61-F65 HydrophobicContact CG-CE2 3.76Å; L61-F65 WeakPolarHBondContact O-CD2 3.42Å; L61-F65 PolarHBondContact O-N 3.47Å; S62-F65 PolarHBondContact O-N 2.93Å; G63-F65 PolarHBondContact O-N 2.97Å; F65-S68 PolarHBondContact O-N 3.19Å; F65-A69 WeakPolarHBondContact O-CB 3Å; F65-A69 PolarHBondContact O-N 3.21Å; F65-I314 HydrophobicContact CD2-CG1 4.02Å; F65-I314 HydrophobicContact CE2-CG1 4.27Å; F65-F317 HydrophobicContact CB-CB 4.34Å; F65-F317 HydrophobicContact CD1-CB 3.95Å; F65-F317 AromaticContact CD1-CD1 3.76Å; F65-F317 HydrophobicContact CD1-CD1 3.76Å; F65-F317 HydrophobicContact CD1-CD2 4.46Å; F65-F317 HydrophobicContact CD1-CE1 4.38Å; F65-F317 AromaticContact CD1-CG 3.8Å; F65-F317 HydrophobicContact CD1-CG 3.8Å; F65-F317 AromaticContact CE1-CD1 3.99Å; F65-F317 HydrophobicContact CE1-CD1 3.99Å; F65-F317 HydrophobicContact CE1-CE1 4.33Å; F65-F317 HydrophobicContact CE1-CG 4.48Å |
| 66 | V | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 179.7 | 169.2 | 0 | 0 | 0 | 0 | 111 | S62 G63 S68 A69 L70 A104 W108 C313 | S62-V66 WeakPolarHBondContact O-CB 3.33Å; S62-V66 WeakPolarHBondContact O-CG2 3.49Å; S62-V66 PolarHBondContact O-N 3.32Å; G63-V66 PolarHBondContact O-N 2.91Å; V66-S68 VanDerWaalsContact C-N 3.3Å; V66-S68 PolarHBondContact O-N 3.48Å; V66-A69 PolarHBondContact O-N 3.05Å; V66-L70 HydrophobicContact CG1-CD1 4.08Å; V66-L70 HydrophobicContact CG1-CG 4.4Å; V66-L70 WeakPolarHBondContact O-CB 3.34Å; V66-L70 VanDerWaalsContact O-CG 3.28Å; V66-L70 WeakPolarHBondContact O-CG 3.35Å; V66-L70 PolarHBondContact O-N 3.15Å; V66-A104 HydrophobicContact CB-CB 4.47Å; V66-A104 HydrophobicContact CG1-CB 4.04Å; V66-A104 HydrophobicContact CG2-CB 4.23Å; V66-W108 HydrophobicContact CB-CB 4.39Å; V66-W108 HydrophobicContact CG1-CB 4.07Å; V66-W108 HydrophobicContact CG1-CG 4.34Å; V66-W108 HydrophobicContact CG2-CB 3.89Å; V66-W108 HydrophobicContact CG2-CG 4.31Å; V66-C313 HydrophobicContact CG2-CB 3.72Å |
| 67 | W | 93.9 | Very high | 90.2 | Very high | 139 Ų | 139 | 45.9 Ų | 45.9 | 53% | 0.527 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 177.3 | -82 | 106.5 | 0 | 0 | 0 | 112.5 | G63 L70 L71 W108 | G63-W67 WeakPolarHBondContact O-CB 3.48Å; G63-W67 PolarHBondContact O-N 3.41Å; W67-L70 HydrophobicContact CE3-CD1 4.23Å; W67-L70 HydrophobicContact CZ3-CD1 4.48Å; W67-L70 PolarHBondContact O-N 2.98Å; W67-L71 WeakPolarHBondContact O-CB 3.48Å; W67-L71 VanDerWaalsContact O-CG 3.31Å; W67-L71 WeakPolarHBondContact O-CG 3.46Å; W67-L71 PolarHBondContact O-N 3.18Å; W67-W108 AromaticContact NE1-CH2 3.76Å |
| 68 | S | 94.1 | Very high | 90.4 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | I64 F65 V66 L71 L72 | I64-S68 VanDerWaalsContact O-CB 3.32Å; I64-S68 WeakPolarHBondContact O-CB 3.43Å; I64-S68 PolarHBondContact O-N 3.39Å; I64-S68 PolarHBondContact O-OG 3.33Å; F65-S68 PolarHBondContact O-N 3.19Å; V66-S68 VanDerWaalsContact C-N 3.3Å; V66-S68 PolarHBondContact O-N 3.48Å; S68-L71 PolarHBondContact O-N 2.92Å; S68-L72 WeakPolarHBondContact O-CB 3.17Å; S68-L72 PolarHBondContact O-N 3.39Å |
| 69 | A | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F65 V66 L72 T73 V100 F317 A320 | F65-A69 WeakPolarHBondContact O-CB 3Å; F65-A69 PolarHBondContact O-N 3.21Å; V66-A69 PolarHBondContact O-N 3.05Å; A69-L72 PolarHBondContact O-N 3.35Å; A69-T73 WeakPolarHBondContact O-CB 3.31Å; A69-T73 PolarHBondContact O-N 2.81Å; A69-T73 PolarHBondContact O-OG1 2.9Å; A69-T73 VanDerWaalsContact O-OG1 3.06Å; A69-V100 HydrophobicContact CB-CG1 4.13Å; A69-F317 HydrophobicContact CB-CB 4.31Å; A69-F317 HydrophobicContact CB-CD2 4.49Å; A69-A320 HydrophobicContact CB-CB 4.32Å |
| 70 | L | 93.5 | Very high | 90.8 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -49.7 | 176 | -73 | 176.7 | 0 | 0 | 0 | 111.4 | V66 W67 L72 T73 C74 P101 | V66-L70 HydrophobicContact CG1-CD1 4.08Å; V66-L70 HydrophobicContact CG1-CG 4.4Å; V66-L70 WeakPolarHBondContact O-CB 3.34Å; V66-L70 VanDerWaalsContact O-CG 3.28Å; V66-L70 WeakPolarHBondContact O-CG 3.35Å; V66-L70 PolarHBondContact O-N 3.15Å; W67-L70 HydrophobicContact CE3-CD1 4.23Å; W67-L70 HydrophobicContact CZ3-CD1 4.48Å; W67-L70 PolarHBondContact O-N 2.98Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.36Å; L70-T73 PolarHBondContact O-N 2.97Å; L70-C74 WeakPolarHBondContact O-CB 3.29Å; L70-C74 PolarHBondContact O-N 2.94Å; L70-C74 PolarHBondContact O-SG 3.28Å; L70-P101 HydrophobicContact CD2-CB 3.37Å |
| 71 | L | 94.3 | Very high | 90.6 | Very high | 122 Ų | 122 | 44.8 Ų | 44.8 | 64% | 0.639 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.7 | -42.8 | 179.2 | -72.4 | 174.1 | 0 | 0 | 0 | 111.9 | W67 S68 H75 | W67-L71 WeakPolarHBondContact O-CB 3.48Å; W67-L71 VanDerWaalsContact O-CG 3.31Å; W67-L71 WeakPolarHBondContact O-CG 3.46Å; W67-L71 PolarHBondContact O-N 3.18Å; S68-L71 PolarHBondContact O-N 2.92Å; L71-H75 WeakPolarHBondContact O-CB 3.26Å; L71-H75 PolarHBondContact O-N 2.83Å |
| 72 | L | 92.7 | Very high | 90.1 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 179.7 | -170.4 | 66.3 | 0 | 0 | 0 | 111.7 | S68 A69 L70 H75 Q76 A320 I321 | S68-L72 WeakPolarHBondContact O-CB 3.17Å; S68-L72 PolarHBondContact O-N 3.39Å; A69-L72 PolarHBondContact O-N 3.35Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.36Å; L72-H75 PolarHBondContact O-N 2.84Å; L72-Q76 PolarHBondContact O-N 3.07Å; L72-A320 HydrophobicContact CB-CB 4.42Å; L72-A320 HydrophobicContact CD2-CB 3.8Å; L72-A320 HydrophobicContact CG-CB 4.46Å; L72-I321 HydrophobicContact CD2-CB 4.36Å; L72-I321 HydrophobicContact CD2-CG1 3.59Å |
| 73 | T | 92.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.3 | -41 | -179.4 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | A69 L70 H75 Q76 I77 L97 P101 | A69-T73 WeakPolarHBondContact O-CB 3.31Å; A69-T73 PolarHBondContact O-N 2.81Å; A69-T73 PolarHBondContact O-OG1 2.9Å; A69-T73 VanDerWaalsContact O-OG1 3.06Å; L70-T73 PolarHBondContact O-N 2.97Å; T73-H75 VanDerWaalsContact C-N 3.33Å; T73-H75 PolarHBondContact O-N 2.75Å; T73-Q76 WeakPolarHBondContact O-CB 3.34Å; T73-Q76 PolarHBondContact O-N 3.48Å; T73-Q76 VanDerWaalsContact O-N 3.1Å; T73-I77 HydrophobicContact CG2-CD1 3.86Å; T73-I77 HydrophobicContact CG2-CG1 4.29Å; T73-I77 WeakPolarHBondContact O-CG1 3.43Å; T73-I77 PolarHBondContact O-N 3.5Å; T73-L97 HydrophobicContact CG2-CB 4.29Å; T73-L97 WeakPolarHBondContact CG2-O 3.23Å; T73-P101 HydrophobicContact CG2-CG 4.29Å |
| 74 | C | 91.2 | Very high | 89 | Confident | 72 Ų | 72 | 50 Ų | 50 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 173.5 | -76.3 | 0 | 0 | 0 | 0 | 111.6 | L70 Q76 I77 Y78 | L70-C74 WeakPolarHBondContact O-CB 3.29Å; L70-C74 PolarHBondContact O-N 2.94Å; L70-C74 PolarHBondContact O-SG 3.28Å; C74-Q76 VanDerWaalsContact C-N 3.32Å; C74-Q76 PolarHBondContact O-N 3.15Å; C74-I77 PolarHBondContact O-N 3.29Å; C74-Y78 VanDerWaalsContact O-CB 3.3Å; C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 3.33Å |
| 75 | H | 91.2 | Very high | 88.2 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 173.7 | 177.7 | -70.7 | 0 | 0 | 0 | 111.5 | L71 L72 T73 Y78 T79 R324 | L71-H75 WeakPolarHBondContact O-CB 3.26Å; L71-H75 PolarHBondContact O-N 2.83Å; L72-H75 PolarHBondContact O-N 2.84Å; T73-H75 VanDerWaalsContact C-N 3.33Å; T73-H75 PolarHBondContact O-N 2.75Å; H75-Y78 PolarHBondContact O-N 2.85Å; H75-T79 PolarHBondContact CE1-OG1 3.32Å; H75-T79 WeakPolarHBondContact O-CB 3.31Å; H75-T79 PolarHBondContact O-N 3.46Å; H75-T79 PolarHBondContact O-OG1 2.93Å; H75-R324 PolarHBondContact ND1-NH1 3.5Å |
| 76 | Q | 89.4 | Confident | 87.6 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 179.2 | -167.5 | -176.4 | -9.4 | 0 | 0 | 111.8 | L72 T73 C74 Y78 T79 H80 L97 L323 F327 | L72-Q76 PolarHBondContact O-N 3.07Å; T73-Q76 WeakPolarHBondContact O-CB 3.34Å; T73-Q76 PolarHBondContact O-N 3.48Å; T73-Q76 VanDerWaalsContact O-N 3.1Å; C74-Q76 VanDerWaalsContact C-N 3.32Å; C74-Q76 PolarHBondContact O-N 3.15Å; Q76-Y78 PolarHBondContact O-N 3.29Å; Q76-T79 PolarHBondContact O-N 3.19Å; Q76-H80 PolarHBondContact O-CD2 3.43Å; Q76-H80 PolarHBondContact O-N 3.28Å; Q76-L97 HydrophobicContact CB-CD2 4.02Å; Q76-L97 HydrophobicContact CG-CD2 3.56Å; Q76-L323 PolarHBondContact NE2-O 3.3Å; Q76-F327 PolarHBondContact NE2-O 3.41Å; Q76-F327 VanDerWaalsContact NE2-O 3.16Å |
| 77 | I | 89.2 | Confident | 87 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 175.9 | -67.9 | 168.1 | 0 | 0 | 0 | 110.4 | T73 C74 T79 H80 L81 I94 L97 F98 | T73-I77 HydrophobicContact CG2-CD1 3.86Å; T73-I77 HydrophobicContact CG2-CG1 4.29Å; T73-I77 WeakPolarHBondContact O-CG1 3.43Å; T73-I77 PolarHBondContact O-N 3.5Å; C74-I77 PolarHBondContact O-N 3.29Å; I77-T79 VanDerWaalsContact C-N 3.28Å; I77-T79 PolarHBondContact O-N 3.03Å; I77-H80 PolarHBondContact O-N 3.3Å; I77-L81 HydrophobicContact CG2-CD1 3.78Å; I77-L81 HydrophobicContact CG2-CG 4.31Å; I77-L81 WeakPolarHBondContact O-CG 3.41Å; I77-L81 PolarHBondContact O-N 3.31Å; I77-I94 HydrophobicContact CG2-CG2 4.2Å; I77-L97 HydrophobicContact CD1-CB 4.31Å; I77-L97 HydrophobicContact CG1-CB 3.99Å; I77-L97 HydrophobicContact CG1-CD2 3.9Å; I77-F98 HydrophobicContact CD1-CD1 4.06Å; I77-F98 HydrophobicContact CD1-CD2 4.23Å; I77-F98 HydrophobicContact CD1-CE1 3.85Å; I77-F98 HydrophobicContact CD1-CE2 4.02Å; I77-F98 HydrophobicContact CD1-CG 4.23Å; I77-F98 HydrophobicContact CD1-CZ 3.82Å; I77-F98 HydrophobicContact CG2-CZ 4.4Å |
| 78 | Y | 86.9 | Confident | 86.4 | Confident | 105 Ų | 105 | 46 Ų | 46 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 176.7 | 175 | -102.5 | 0 | 0 | 0 | 112.1 | C74 H75 Q76 L81 R82 I352 | C74-Y78 VanDerWaalsContact O-CB 3.3Å; C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 3.33Å; H75-Y78 PolarHBondContact O-N 2.85Å; Q76-Y78 PolarHBondContact O-N 3.29Å; Y78-L81 PolarHBondContact O-N 3.21Å; Y78-R82 WeakPolarHBondContact O-CB 3.26Å; Y78-R82 PolarHBondContact O-N 3.03Å; Y78-I352 HydrophobicContact CE2-CD1 3.98Å |
| 79 | T | 84.8 | Confident | 85.9 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 14% | 0.135 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | 179.9 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | H75 Q76 I77 R82 S83 C329 | H75-T79 PolarHBondContact CE1-OG1 3.32Å; H75-T79 WeakPolarHBondContact O-CB 3.31Å; H75-T79 PolarHBondContact O-N 3.46Å; H75-T79 PolarHBondContact O-OG1 2.93Å; Q76-T79 PolarHBondContact O-N 3.19Å; I77-T79 VanDerWaalsContact C-N 3.28Å; I77-T79 PolarHBondContact O-N 3.03Å; T79-R82 PolarHBondContact O-N 3.29Å; T79-S83 PolarHBondContact O-N 3Å; T79-S83 PolarHBondContact O-OG 2.86Å; T79-C329 HydrophobicContact CG2-CB 3.66Å |
| 80 | H | 84.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -46 | 173.1 | -83.7 | -61.7 | 0 | 0 | 0 | 111.9 | Q76 I77 R82 S83 Y84 Q90 I94 F327 C329 Y332 | Q76-H80 PolarHBondContact O-CD2 3.43Å; Q76-H80 PolarHBondContact O-N 3.28Å; I77-H80 PolarHBondContact O-N 3.3Å; H80-R82 VanDerWaalsContact C-N 3.33Å; H80-R82 PolarHBondContact O-N 3.43Å; H80-S83 CarbonylContact O-C 3.59Å; H80-S83 PolarHBondContact O-N 2.82Å; H80-S83 VanDerWaalsContact O-N 3.13Å; H80-Y84 PolarHBondContact O-N 3.35Å; H80-Q90 PolarHBondContact O-NE2 2.98Å; H80-I94 HydrophobicContact CB-CD1 4.28Å; H80-I94 HydrophobicContact CB-CG1 4.09Å; H80-F327 PolarHBondContact NE2-O 3.2Å; H80-F327 VanDerWaalsContact NE2-O 3.14Å; H80-C329 PolarHBondContact CD2-SG 3.47Å; H80-C329 PolarHBondContact CE1-SG 3.27Å; H80-C329 PolarHBondContact NE2-SG 3.24Å; H80-Y332 AromaticContact CE1-CD2 3.99Å |
| 81 | L | 82.9 | Confident | 85.2 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 177.5 | -70.3 | 171.1 | 0 | 0 | 0 | 112.9 | I77 Y78 S83 Y84 I94 I352 L356 | I77-L81 HydrophobicContact CG2-CD1 3.78Å; I77-L81 HydrophobicContact CG2-CG 4.31Å; I77-L81 WeakPolarHBondContact O-CG 3.41Å; I77-L81 PolarHBondContact O-N 3.31Å; Y78-L81 PolarHBondContact O-N 3.21Å; L81-S83 PolarHBondContact O-N 2.93Å; L81-Y84 WeakPolarHBondContact O-CB 3.29Å; L81-I94 HydrophobicContact CD2-CD1 3.65Å; L81-I94 HydrophobicContact CG-CD1 4.07Å; L81-I352 HydrophobicContact CB-CG2 4.02Å; L81-I352 HydrophobicContact CD1-CG2 3.82Å; L81-I352 HydrophobicContact CG-CG2 4.5Å; L81-L356 HydrophobicContact CD1-CB 4.25Å; L81-L356 HydrophobicContact CD1-CD1 4.42Å |
| 82 | R | 80.6 | Confident | 85 | Confident | 115 Ų | 115 | 41.1 Ų | 41.1 | 43% | 0.434 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.5 | -25.7 | 175 | -173.4 | 177.2 | 179 | -164.7 | -0.6 | 112.5 | Y78 T79 H80 K336 | Y78-R82 WeakPolarHBondContact O-CB 3.26Å; Y78-R82 PolarHBondContact O-N 3.03Å; T79-R82 PolarHBondContact O-N 3.29Å; H80-R82 VanDerWaalsContact C-N 3.33Å; H80-R82 PolarHBondContact O-N 3.43Å; R82-K336 PolarHBondContact O-NZ 2.9Å |
| 83 | S | 77.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 42.2 | -177.3 | -37.9 | 0 | 0 | 0 | 0 | 110.1 | T79 H80 L81 T85 Q90 Q333 | T79-S83 PolarHBondContact O-N 3Å; T79-S83 PolarHBondContact O-OG 2.86Å; H80-S83 CarbonylContact O-C 3.59Å; H80-S83 PolarHBondContact O-N 2.82Å; H80-S83 VanDerWaalsContact O-N 3.13Å; L81-S83 PolarHBondContact O-N 2.93Å; S83-T85 VanDerWaalsContact C-N 3.29Å; S83-T85 PolarHBondContact O-N 2.95Å; S83-Q90 PolarHBondContact O-NE2 3.34Å; S83-Q90 PolarHBondContact O-OE1 3.44Å; S83-Q333 VanDerWaalsContact OG-CG 3.28Å; S83-Q333 WeakPolarHBondContact OG-CG 3.07Å |
| 84 | Y | 77.9 | Confident | 84.6 | Confident | 69 Ų | 69 | 39 Ų | 39 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | trans | -77.3 | 77.4 | -176.3 | -157.5 | -116.1 | 0 | 0 | 0 | 110.6 | H80 L81 P87 Q90 I94 T359 | H80-Y84 PolarHBondContact O-N 3.35Å; L81-Y84 WeakPolarHBondContact O-CB 3.29Å; Y84-P87 HydrophobicContact CD1-CB 4.32Å; Y84-P87 HydrophobicContact CE1-CB 3.51Å; Y84-P87 PolarHBondContact OH-O 3Å; Y84-Q90 VanDerWaalsContact CA-OE1 3.29Å; Y84-Q90 HydrophobicContact CD2-CB 3.93Å; Y84-Q90 HydrophobicContact CE2-CB 3.75Å; Y84-I94 HydrophobicContact CD2-CD1 4.43Å; Y84-I94 HydrophobicContact CE2-CD1 4.15Å; Y84-T359 PolarHBondContact OH-OG1 3.27Å | ||
| 85 | T | 76 | Confident | 84.6 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 24% | 0.239 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -99 | -31.8 | -176.9 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | S83 Y332 K336 | S83-T85 VanDerWaalsContact C-N 3.29Å; S83-T85 PolarHBondContact O-N 2.95Å; T85-Y332 PolarHBondContact OG1-O 3.42Å; T85-K336 HydrophobicContact CG2-CB 3.54Å; T85-K336 HydrophobicContact CG2-CD 4.47Å; T85-K336 HydrophobicContact CG2-CG 3.92Å |
| 86 | V | 80.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 31 Ų | 31 | 12% | 0.115 | 15% | 0.146 | C | C | . | . | trans | -124.1 | 85.3 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | N88 E89 Q90 Y332 K335 | V86-N88 VanDerWaalsContact C-N 3.3Å; V86-N88 PolarHBondContact O-N 2.91Å; V86-E89 HydrophobicContact CG1-CB 4.13Å; V86-E89 HydrophobicContact CG1-CG 3.87Å; V86-E89 PolarHBondContact O-N 2.73Å; V86-Q90 WeakPolarHBondContact O-CB 3.46Å; V86-Q90 WeakPolarHBondContact O-CG 3.46Å; V86-Q90 PolarHBondContact O-N 3.18Å; V86-Q90 PolarHBondContact O-OE1 3.34Å; V86-Y332 HydrophobicContact CB-CD1 4.34Å; V86-Y332 HydrophobicContact CB-CE1 4.14Å; V86-Y332 HydrophobicContact CG2-CD1 4.23Å; V86-Y332 HydrophobicContact CG2-CE1 4.27Å; V86-K335 HydrophobicContact CG2-CD 3.93Å | ||
| 87 | P | 79.4 | Confident | 84.6 | Confident | 58 Ų | 58 | 31 Ų | 31 | 38% | 0.377 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.8 | -36.7 | -170.9 | 23.5 | -33.8 | 0 | 0 | 0 | 112.8 | Y84 E89 R91 | Y84-P87 HydrophobicContact CD1-CB 4.32Å; Y84-P87 HydrophobicContact CE1-CB 3.51Å; Y84-P87 PolarHBondContact OH-O 3Å; P87-E89 PolarHBondContact O-N 3.01Å; P87-R91 WeakPolarHBondContact O-CB 3.26Å; P87-R91 PolarHBondContact O-N 3.35Å |
| 88 | N | 81.4 | Confident | 84.6 | Confident | 98 Ų | 98 | 32.4 Ų | 32.4 | 52% | 0.524 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.8 | -47.2 | -177.8 | -63.3 | -10.7 | 0 | 0 | 0 | 112.1 | V86 Y92 | V86-N88 VanDerWaalsContact C-N 3.3Å; V86-N88 PolarHBondContact O-N 2.91Å; N88-Y92 WeakPolarHBondContact O-CD2 3.32Å; N88-Y92 VanDerWaalsContact O-CE2 3.28Å; N88-Y92 WeakPolarHBondContact O-CE2 3.12Å |
| 89 | E | 84.5 | Confident | 84.8 | Confident | 30 Ų | 30 | 27.6 Ų | 27.6 | 14% | 0.14 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77.7 | -48.5 | 178.6 | -62.8 | 172.3 | -164.4 | 0 | 0 | 111.9 | V86 P87 R91 Y92 I93 L141 E144 Y145 Y332 | V86-E89 HydrophobicContact CG1-CB 4.13Å; V86-E89 HydrophobicContact CG1-CG 3.87Å; V86-E89 PolarHBondContact O-N 2.73Å; P87-E89 PolarHBondContact O-N 3.01Å; E89-R91 PolarHBondContact O-N 2.99Å; E89-Y92 PolarHBondContact O-N 2.95Å; E89-Y92 VanDerWaalsContact O-N 3.16Å; E89-I93 WeakPolarHBondContact O-CG1 3.44Å; E89-I93 PolarHBondContact O-N 3.46Å; E89-I93 VanDerWaalsContact O-N 3.13Å; E89-L141 HydrophobicContact CB-CD1 4.1Å; E89-E144 HydrophobicContact CG-CB 4.48Å; E89-Y145 HydrophobicContact CB-CE1 4.18Å; E89-Y145 HydrophobicContact CG-CD1 3.93Å; E89-Y145 HydrophobicContact CG-CE1 3.91Å; E89-Y145 WeakPolarHBondContact OE2-CE1 3.43Å; E89-Y332 WeakPolarHBondContact OE2-CE1 3.32Å; E89-Y332 PolarHBondContact OE2-OH 3.49Å |
| 90 | Q | 84.4 | Confident | 85 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -29.7 | -171.7 | -68.9 | -178.6 | -74.6 | 0 | 0 | 112.1 | H80 S83 Y84 V86 I93 I94 Y332 | H80-Q90 PolarHBondContact O-NE2 2.98Å; S83-Q90 PolarHBondContact O-NE2 3.34Å; S83-Q90 PolarHBondContact O-OE1 3.44Å; Y84-Q90 VanDerWaalsContact CA-OE1 3.29Å; Y84-Q90 HydrophobicContact CD2-CB 3.93Å; Y84-Q90 HydrophobicContact CE2-CB 3.75Å; V86-Q90 WeakPolarHBondContact O-CB 3.46Å; V86-Q90 WeakPolarHBondContact O-CG 3.46Å; V86-Q90 PolarHBondContact O-N 3.18Å; V86-Q90 PolarHBondContact O-OE1 3.34Å; Q90-I93 PolarHBondContact O-N 2.92Å; Q90-I94 WeakPolarHBondContact O-CB 3.42Å; Q90-I94 WeakPolarHBondContact O-CD1 3.31Å; Q90-I94 WeakPolarHBondContact O-CG1 3.41Å; Q90-I94 PolarHBondContact O-N 3.24Å; Q90-Y332 HydrophobicContact CG-CD1 3.94Å; Q90-Y332 HydrophobicContact CG-CD2 4.34Å; Q90-Y332 HydrophobicContact CG-CE1 3.87Å; Q90-Y332 HydrophobicContact CG-CE2 4.25Å; Q90-Y332 HydrophobicContact CG-CG 4.19Å |
| 91 | R | 88 | Confident | 85.3 | Confident | 41 Ų | 41 | 27.3 Ų | 27.3 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 172.8 | 175.8 | 166.1 | -165.9 | -151.1 | -4.9 | 112.1 | P87 E89 R95 E358 T359 N361 D364 | P87-R91 WeakPolarHBondContact O-CB 3.26Å; P87-R91 PolarHBondContact O-N 3.35Å; E89-R91 PolarHBondContact O-N 2.99Å; R91-R95 WeakPolarHBondContact O-CG 3.49Å; R91-R95 PolarHBondContact O-N 2.86Å; R91-E358 PolarHBondContact NE-O 3.26Å; R91-E358 PolarHBondContact NH2-O 3.46Å; R91-T359 HydrophobicContact CB-CG2 4.33Å; R91-T359 HydrophobicContact CG-CG2 4.04Å; R91-T359 PolarHBondContact NE-O 2.99Å; R91-T359 WeakPolarHBondContact O-CG2 3.47Å; R91-N361 PolarHBondContact NH2-O 3.22Å; R91-D364 IonicContact CZ-OD1 2.77Å; R91-D364 IonicContact CZ-OD2 2.96Å; R91-D364 IonicContact NE-OD2 2.81Å; R91-D364 IonicContact NH1-OD1 3.24Å; R91-D364 PolarHBondContact NH1-OD1 3.22Å; R91-D364 IonicContact NH1-OD2 2.72Å; R91-D364 PolarHBondContact NH1-OD2 3.26Å; R91-D364 IonicContact NH2-OD1 3.19Å; R91-D364 PolarHBondContact NH2-OD1 3.32Å; R91-D364 IonicContact NH2-OD2 3.14Å; R91-D364 PolarHBondContact NH2-OD2 3.09Å |
| 92 | Y | 88.8 | Confident | 85.7 | Confident | 21 Ų | 21 | 28.6 Ų | 28.6 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | 178.6 | -62.3 | -65.6 | 0 | 0 | 0 | 112 | N88 E89 R95 I96 N137 S140 L141 E144 | N88-Y92 WeakPolarHBondContact O-CD2 3.32Å; N88-Y92 VanDerWaalsContact O-CE2 3.28Å; N88-Y92 WeakPolarHBondContact O-CE2 3.12Å; E89-Y92 PolarHBondContact O-N 2.95Å; E89-Y92 VanDerWaalsContact O-N 3.16Å; Y92-R95 PolarHBondContact O-N 3.36Å; Y92-I96 VanDerWaalsContact O-CG1 3.3Å; Y92-I96 WeakPolarHBondContact O-CG1 3.21Å; Y92-I96 PolarHBondContact O-N 3.01Å; Y92-N137 HydrophobicContact CD1-CB 4.16Å; Y92-N137 VanDerWaalsContact CD1-OD1 3.28Å; Y92-N137 WeakPolarHBondContact CD1-OD1 3.28Å; Y92-S140 VanDerWaalsContact CE1-CB 3.46Å; Y92-L141 HydrophobicContact CG-CB 4.33Å; Y92-E144 HydrophobicContact CD2-CG 4.11Å; Y92-E144 HydrophobicContact CE2-CG 3.65Å |
| 93 | I | 88.5 | Confident | 86 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 176 | -66.4 | 169.5 | 0 | 0 | 0 | 110.2 | E89 Q90 R95 I96 L97 L141 Y145 F327 Y332 | E89-I93 WeakPolarHBondContact O-CG1 3.44Å; E89-I93 PolarHBondContact O-N 3.46Å; E89-I93 VanDerWaalsContact O-N 3.13Å; Q90-I93 PolarHBondContact O-N 2.92Å; I93-R95 VanDerWaalsContact C-N 3.31Å; I93-R95 PolarHBondContact O-N 2.9Å; I93-I96 WeakPolarHBondContact O-CB 3.32Å; I93-I96 PolarHBondContact O-N 3.39Å; I93-L97 HydrophobicContact CG2-CD1 3.59Å; I93-L97 WeakPolarHBondContact O-CD1 3.14Å; I93-L97 PolarHBondContact O-N 3.02Å; I93-L141 HydrophobicContact CD1-CD1 4.35Å; I93-L141 HydrophobicContact CG1-CD1 3.93Å; I93-L141 HydrophobicContact CG1-CD2 3.66Å; I93-L141 HydrophobicContact CG1-CG 4.48Å; I93-Y145 WeakPolarHBondContact CD1-OH 2.87Å; I93-F327 HydrophobicContact CB-CD1 4.49Å; I93-F327 HydrophobicContact CD1-CD1 4.19Å; I93-F327 HydrophobicContact CG1-CD1 3.9Å; I93-F327 HydrophobicContact CG1-CE1 4.15Å; I93-F327 HydrophobicContact CG2-CB 3.91Å; I93-F327 HydrophobicContact CG2-CD1 3.91Å; I93-F327 HydrophobicContact CG2-CG 3.96Å; I93-Y332 HydrophobicContact CD1-CE2 3.98Å; I93-Y332 WeakPolarHBondContact CD1-OH 3.2Å |
| 94 | I | 89.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.5 | -43.5 | -179.6 | -70.1 | 162.3 | 0 | 0 | 0 | 111 | I77 H80 L81 Y84 Q90 I96 L97 F98 L356 T359 | I77-I94 HydrophobicContact CG2-CG2 4.2Å; H80-I94 HydrophobicContact CB-CD1 4.28Å; H80-I94 HydrophobicContact CB-CG1 4.09Å; L81-I94 HydrophobicContact CD2-CD1 3.65Å; L81-I94 HydrophobicContact CG-CD1 4.07Å; Y84-I94 HydrophobicContact CD2-CD1 4.43Å; Y84-I94 HydrophobicContact CE2-CD1 4.15Å; Q90-I94 WeakPolarHBondContact O-CB 3.42Å; Q90-I94 WeakPolarHBondContact O-CD1 3.31Å; Q90-I94 WeakPolarHBondContact O-CG1 3.41Å; Q90-I94 PolarHBondContact O-N 3.24Å; I94-I96 VanDerWaalsContact C-N 3.33Å; I94-I96 PolarHBondContact O-N 3.33Å; I94-L97 WeakPolarHBondContact O-CB 3.35Å; I94-L97 PolarHBondContact O-N 3.42Å; I94-F98 HydrophobicContact CG2-CD2 4Å; I94-F98 HydrophobicContact CG2-CE2 3.61Å; I94-F98 WeakPolarHBondContact O-CD2 3.47Å; I94-F98 PolarHBondContact O-N 3.24Å; I94-L356 HydrophobicContact CG2-CD1 4.38Å; I94-T359 HydrophobicContact CB-CG2 3.75Å; I94-T359 HydrophobicContact CD1-CG2 4.22Å; I94-T359 HydrophobicContact CG2-CG2 3.63Å |
| 95 | R | 91 | Very high | 87.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 174.5 | -69.3 | 171.4 | 177.5 | 167.1 | 2.4 | 112.3 | R91 Y92 I93 F98 Y130 F133 N137 T359 M360 N361 D364 | R91-R95 WeakPolarHBondContact O-CG 3.49Å; R91-R95 PolarHBondContact O-N 2.86Å; Y92-R95 PolarHBondContact O-N 3.36Å; I93-R95 VanDerWaalsContact C-N 3.31Å; I93-R95 PolarHBondContact O-N 2.9Å; R95-F98 PolarHBondContact O-N 2.97Å; R95-Y130 PolarHBondContact O-OH 2.92Å; R95-F133 HydrophobicContact CB-CE1 4.03Å; R95-F133 HydrophobicContact CG-CE1 4.04Å; R95-F133 HydrophobicContact CG-CZ 4.17Å; R95-N137 HydrophobicContact CB-CB 4.39Å; R95-N137 VanDerWaalsContact CD-CG 3.49Å; R95-N137 WeakPolarHBondContact CD-OD1 3.48Å; R95-N137 PolarHBondContact NH1-OD1 3.17Å; R95-T359 HydrophobicContact CG-CG2 4.34Å; R95-T359 VanDerWaalsContact CZ-O 3.28Å; R95-T359 PolarHBondContact NE-O 3.15Å; R95-T359 PolarHBondContact NH2-O 3.34Å; R95-T359 VanDerWaalsContact NH2-O 3.11Å; R95-M360 HydrophobicContact CG-CE 4.32Å; R95-N361 PolarHBondContact NH2-O 2.66Å; R95-D364 IonicContact CZ-OD2 2.84Å; R95-D364 IonicContact NH1-OD2 2.86Å; R95-D364 PolarHBondContact NH1-OD2 3.47Å; R95-D364 VanDerWaalsContact NH1-OD2 3.13Å; R95-D364 IonicContact NH2-OD2 3.53Å; R95-D364 PolarHBondContact NH2-OD2 3.01Å |
| 96 | I | 89.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 175.8 | -67.4 | 162.1 | 0 | 0 | 0 | 110.6 | Y92 I93 I94 F98 I99 V134 N137 F138 L141 I264 L323 F327 | Y92-I96 VanDerWaalsContact O-CG1 3.3Å; Y92-I96 WeakPolarHBondContact O-CG1 3.21Å; Y92-I96 PolarHBondContact O-N 3.01Å; I93-I96 WeakPolarHBondContact O-CB 3.32Å; I93-I96 PolarHBondContact O-N 3.39Å; I94-I96 VanDerWaalsContact C-N 3.33Å; I94-I96 PolarHBondContact O-N 3.33Å; I96-F98 PolarHBondContact O-N 3.3Å; I96-I99 WeakPolarHBondContact O-CB 3.42Å; I96-I99 WeakPolarHBondContact O-CG2 3.45Å; I96-I99 PolarHBondContact O-N 3.48Å; I96-V134 HydrophobicContact CG1-CG1 4.39Å; I96-V134 HydrophobicContact CG2-CG1 4.34Å; I96-N137 HydrophobicContact CG1-CB 4.03Å; I96-F138 HydrophobicContact CD1-CB 4.04Å; I96-F138 HydrophobicContact CD1-CD2 4.29Å; I96-L141 HydrophobicContact CD1-CD2 3.96Å; I96-I264 HydrophobicContact CD1-CD1 4.09Å; I96-I264 HydrophobicContact CG2-CD1 3.7Å; I96-I264 HydrophobicContact CG2-CG1 3.91Å; I96-L323 HydrophobicContact CG2-CD2 4.42Å; I96-F327 HydrophobicContact CG2-CE2 4.25Å |
| 97 | L | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.2 | -31.7 | 179.8 | -91 | 66.7 | 0 | 0 | 0 | 112.6 | T73 Q76 I77 I93 I94 I99 V100 P101 F327 | T73-L97 HydrophobicContact CG2-CB 4.29Å; T73-L97 WeakPolarHBondContact CG2-O 3.23Å; Q76-L97 HydrophobicContact CB-CD2 4.02Å; Q76-L97 HydrophobicContact CG-CD2 3.56Å; I77-L97 HydrophobicContact CD1-CB 4.31Å; I77-L97 HydrophobicContact CG1-CB 3.99Å; I77-L97 HydrophobicContact CG1-CD2 3.9Å; I93-L97 HydrophobicContact CG2-CD1 3.59Å; I93-L97 WeakPolarHBondContact O-CD1 3.14Å; I93-L97 PolarHBondContact O-N 3.02Å; I94-L97 WeakPolarHBondContact O-CB 3.35Å; I94-L97 PolarHBondContact O-N 3.42Å; L97-I99 PolarHBondContact O-N 2.86Å; L97-I99 VanDerWaalsContact O-N 3.16Å; L97-V100 PolarHBondContact O-N 3.02Å; L97-P101 VanDerWaalsContact O-CD 3.25Å; L97-P101 WeakPolarHBondContact O-CD 3.36Å; L97-F327 HydrophobicContact CD1-CB 4.22Å; L97-F327 HydrophobicContact CD1-CD2 4.1Å; L97-F327 HydrophobicContact CD1-CG 4.29Å |
| 98 | F | 90.5 | Very high | 88.4 | Confident | 42 Ų | 42 | 21.8 Ų | 21.8 | 18% | 0.184 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.8 | 177.5 | -86.3 | -69.2 | 0 | 0 | 0 | 114.7 | I77 I94 R95 I96 V100 P101 I102 Y130 L356 M360 | I77-F98 HydrophobicContact CD1-CD1 4.06Å; I77-F98 HydrophobicContact CD1-CD2 4.23Å; I77-F98 HydrophobicContact CD1-CE1 3.85Å; I77-F98 HydrophobicContact CD1-CE2 4.02Å; I77-F98 HydrophobicContact CD1-CG 4.23Å; I77-F98 HydrophobicContact CD1-CZ 3.82Å; I77-F98 HydrophobicContact CG2-CZ 4.4Å; I94-F98 HydrophobicContact CG2-CD2 4Å; I94-F98 HydrophobicContact CG2-CE2 3.61Å; I94-F98 WeakPolarHBondContact O-CD2 3.47Å; I94-F98 PolarHBondContact O-N 3.24Å; R95-F98 PolarHBondContact O-N 2.97Å; I96-F98 PolarHBondContact O-N 3.3Å; F98-V100 VanDerWaalsContact C-N 3.3Å; F98-V100 PolarHBondContact O-N 3.35Å; F98-P101 HydrophobicContact CB-CG 4.5Å; F98-P101 HydrophobicContact CD1-CG 3.92Å; F98-P101 VanDerWaalsContact O-CD 3.27Å; F98-P101 WeakPolarHBondContact O-CD 3.33Å; F98-P101 VanDerWaalsContact O-CG 3.28Å; F98-P101 WeakPolarHBondContact O-CG 3.34Å; F98-I102 HydrophobicContact CB-CD1 4.44Å; F98-I102 WeakPolarHBondContact O-CD1 3.19Å; F98-I102 VanDerWaalsContact O-CG1 3.29Å; F98-I102 WeakPolarHBondContact O-CG1 3.48Å; F98-I102 PolarHBondContact O-N 3.25Å; F98-Y130 HydrophobicContact CB-CE1 4.33Å; F98-Y130 WeakPolarHBondContact CB-OH 3.38Å; F98-L356 HydrophobicContact CE2-CD1 3.62Å; F98-L356 HydrophobicContact CZ-CD1 3.67Å; F98-M360 HydrophobicContact CD2-CE 3.97Å; F98-M360 HydrophobicContact CD2-SD 3.89Å; F98-M360 HydrophobicContact CE2-CE 4.41Å; F98-M360 HydrophobicContact CE2-CG 4.39Å; F98-M360 HydrophobicContact CE2-SD 3.77Å; F98-M360 HydrophobicContact CG-CE 4.47Å; F98-M360 HydrophobicContact CG-SD 4.42Å; F98-M360 HydrophobicContact CZ-SD 4.21Å |
| 99 | I | 89.1 | Confident | 88.6 | Confident | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.4 | -165.3 | 173.6 | 0 | 0 | 0 | 111.6 | I96 L97 Y103 Y130 V134 V267 I268 L323 | I96-I99 WeakPolarHBondContact O-CB 3.42Å; I96-I99 WeakPolarHBondContact O-CG2 3.45Å; I96-I99 PolarHBondContact O-N 3.48Å; L97-I99 PolarHBondContact O-N 2.86Å; L97-I99 VanDerWaalsContact O-N 3.16Å; I99-Y103 HydrophobicContact CD1-CE2 4.29Å; I99-Y103 HydrophobicContact CG1-CD2 3.73Å; I99-Y103 HydrophobicContact CG1-CE2 3.75Å; I99-Y103 HydrophobicContact CG1-CG 4.41Å; I99-Y103 WeakPolarHBondContact O-CB 3.5Å; I99-Y103 VanDerWaalsContact O-CD2 3.28Å; I99-Y103 WeakPolarHBondContact O-CD2 3.42Å; I99-Y103 PolarHBondContact O-N 3.19Å; I99-Y130 HydrophobicContact CB-CD1 4.19Å; I99-Y130 HydrophobicContact CB-CE1 3.99Å; I99-Y130 HydrophobicContact CG1-CD1 4.2Å; I99-V134 HydrophobicContact CB-CG2 3.91Å; I99-V134 HydrophobicContact CD1-CB 4.34Å; I99-V134 HydrophobicContact CD1-CG1 4.15Å; I99-V134 HydrophobicContact CD1-CG2 4.03Å; I99-V134 HydrophobicContact CG1-CG2 4.14Å; I99-V267 HydrophobicContact CD1-CG1 4.03Å; I99-I268 HydrophobicContact CD1-CG1 4.33Å; I99-L323 HydrophobicContact CG2-CD1 4.21Å |
| 100 | V | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -53.7 | -176.9 | 174.6 | 0 | 0 | 0 | 0 | 112.5 | A69 L97 F98 I102 Y103 A104 M316 A319 A320 L323 | A69-V100 HydrophobicContact CB-CG1 4.13Å; L97-V100 PolarHBondContact O-N 3.02Å; F98-V100 VanDerWaalsContact C-N 3.3Å; F98-V100 PolarHBondContact O-N 3.35Å; V100-I102 VanDerWaalsContact C-N 3.31Å; V100-I102 PolarHBondContact O-N 2.81Å; V100-Y103 PolarHBondContact O-N 3.07Å; V100-A104 WeakPolarHBondContact O-CB 3.36Å; V100-A104 PolarHBondContact O-N 2.97Å; V100-M316 HydrophobicContact CG1-CB 4.18Å; V100-M316 WeakPolarHBondContact CG1-O 3.38Å; V100-M316 HydrophobicContact CG2-SD 4.43Å; V100-A319 HydrophobicContact CG2-CB 4.28Å; V100-A320 HydrophobicContact CG1-CB 4Å; V100-L323 HydrophobicContact CG2-CD1 3.41Å; V100-L323 VanDerWaalsContact CG2-CD1 3.41Å |
| 101 | P | 91.3 | Very high | 88.2 | Confident | 16 Ų | 16 | 17.8 Ų | 17.8 | 10% | 0.104 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | -179.2 | 23 | -34.3 | 0 | 0 | 0 | 112.5 | L70 T73 L97 F98 F105 | L70-P101 HydrophobicContact CD2-CB 3.37Å; T73-P101 HydrophobicContact CG2-CG 4.29Å; L97-P101 VanDerWaalsContact O-CD 3.25Å; L97-P101 WeakPolarHBondContact O-CD 3.36Å; F98-P101 HydrophobicContact CB-CG 4.5Å; F98-P101 HydrophobicContact CD1-CG 3.92Å; F98-P101 VanDerWaalsContact O-CD 3.27Å; F98-P101 WeakPolarHBondContact O-CD 3.33Å; F98-P101 VanDerWaalsContact O-CG 3.28Å; F98-P101 WeakPolarHBondContact O-CG 3.34Å; P101-F105 WeakPolarHBondContact O-CB 3.44Å; P101-F105 PolarHBondContact O-N 3.08Å |
| 102 | I | 89.9 | Confident | 87.7 | Confident | 41 Ų | 41 | 19.2 Ų | 19.2 | 21% | 0.21 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.2 | -52.7 | 177.5 | -67.4 | 170.3 | 0 | 0 | 0 | 109.7 | F98 V100 A104 F105 D106 Y130 | F98-I102 HydrophobicContact CB-CD1 4.44Å; F98-I102 WeakPolarHBondContact O-CD1 3.19Å; F98-I102 VanDerWaalsContact O-CG1 3.29Å; F98-I102 WeakPolarHBondContact O-CG1 3.48Å; F98-I102 PolarHBondContact O-N 3.25Å; V100-I102 VanDerWaalsContact C-N 3.31Å; V100-I102 PolarHBondContact O-N 2.81Å; I102-A104 PolarHBondContact O-N 3.13Å; I102-F105 PolarHBondContact O-N 3Å; I102-D106 WeakPolarHBondContact O-CB 3.42Å; I102-D106 VanDerWaalsContact O-CG 3.24Å; I102-D106 PolarHBondContact O-N 2.77Å; I102-Y130 HydrophobicContact CD1-CD1 3.95Å; I102-Y130 HydrophobicContact CD1-CD2 3.36Å; I102-Y130 HydrophobicContact CD1-CE1 3.9Å; I102-Y130 HydrophobicContact CD1-CE2 3.28Å; I102-Y130 HydrophobicContact CD1-CG 3.7Å |
| 103 | Y | 88 | Confident | 87.1 | Confident | 9 Ų | 9 | 23 Ų | 23 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | -178.4 | -86 | -121.5 | 0 | 0 | 0 | 112.7 | I99 V100 S107 R127 E131 T312 M316 | I99-Y103 HydrophobicContact CD1-CE2 4.29Å; I99-Y103 HydrophobicContact CG1-CD2 3.73Å; I99-Y103 HydrophobicContact CG1-CE2 3.75Å; I99-Y103 HydrophobicContact CG1-CG 4.41Å; I99-Y103 WeakPolarHBondContact O-CB 3.5Å; I99-Y103 VanDerWaalsContact O-CD2 3.28Å; I99-Y103 WeakPolarHBondContact O-CD2 3.42Å; I99-Y103 PolarHBondContact O-N 3.19Å; V100-Y103 PolarHBondContact O-N 3.07Å; Y103-S107 WeakPolarHBondContact O-CB 3.13Å; Y103-S107 PolarHBondContact O-N 3.27Å; Y103-S107 PolarHBondContact O-OG 3.43Å; Y103-R127 HydrophobicContact CD2-CB 4.44Å; Y103-R127 HydrophobicContact CD2-CG 4.3Å; Y103-R127 HydrophobicContact CE1-CB 4.42Å; Y103-R127 HydrophobicContact CE2-CB 4.01Å; Y103-R127 HydrophobicContact CE2-CG 4.37Å; Y103-R127 PolarHBondContact OH-O 3.41Å; Y103-E131 WeakPolarHBondContact OH-CB 3.47Å; Y103-T312 HydrophobicContact CD1-CG2 4.3Å; Y103-M316 HydrophobicContact CD1-CE 4.07Å; Y103-M316 HydrophobicContact CG-CE 4.43Å; Y103-M316 HydrophobicContact CG-SD 4.33Å |
| 104 | A | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66 | -45.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V66 V100 I102 W108 M316 | V66-A104 HydrophobicContact CB-CB 4.47Å; V66-A104 HydrophobicContact CG1-CB 4.04Å; V66-A104 HydrophobicContact CG2-CB 4.23Å; V100-A104 WeakPolarHBondContact O-CB 3.36Å; V100-A104 PolarHBondContact O-N 2.97Å; I102-A104 PolarHBondContact O-N 3.13Å; A104-W108 VanDerWaalsContact O-CB 3.29Å; A104-W108 WeakPolarHBondContact O-CB 3.4Å; A104-W108 PolarHBondContact O-N 3.31Å; A104-M316 HydrophobicContact CB-CB 3.9Å; A104-M316 HydrophobicContact CB-CG 4.24Å |
| 105 | F | 89.5 | Confident | 84.4 | Confident | 88 Ų | 88 | 26 Ų | 26 | 39% | 0.386 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -68.8 | -47.6 | -179.6 | -174.5 | -102.9 | 0 | 0 | 0 | 111.6 | P101 I102 S107 W108 L109 | P101-F105 WeakPolarHBondContact O-CB 3.44Å; P101-F105 PolarHBondContact O-N 3.08Å; I102-F105 PolarHBondContact O-N 3Å; F105-S107 PolarHBondContact O-N 2.64Å; F105-W108 HydrophobicContact CD2-CE3 4.32Å; F105-W108 HydrophobicContact CE2-CE3 4.39Å; F105-W108 HydrophobicContact CE2-CZ3 4.37Å; F105-W108 PolarHBondContact O-N 3.4Å; F105-L109 HydrophobicContact CE1-CD2 4Å; F105-L109 HydrophobicContact CZ-CD2 4.47Å; F105-L109 VanDerWaalsContact O-CB 3.29Å; F105-L109 WeakPolarHBondContact O-CB 3.16Å; F105-L109 PolarHBondContact O-N 3.4Å |
| 106 | D | 87.8 | Confident | 83 | Confident | 17 Ų | 17 | 30 Ų | 30 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 179.4 | -73 | -9.5 | 0 | 0 | 0 | 111.4 | I102 L109 S110 F123 R127 | I102-D106 WeakPolarHBondContact O-CB 3.42Å; I102-D106 VanDerWaalsContact O-CG 3.24Å; I102-D106 PolarHBondContact O-N 2.77Å; D106-L109 PolarHBondContact O-N 3.24Å; D106-S110 VanDerWaalsContact O-CB 3.26Å; D106-S110 WeakPolarHBondContact O-CB 3.3Å; D106-S110 PolarHBondContact O-N 2.93Å; D106-F123 HydrophobicContact CB-CB 4.48Å; D106-R127 HydrophobicContact CB-CG 3.83Å; D106-R127 WeakPolarHBondContact OD2-CG 3.43Å |
| 107 | S | 86.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 177.4 | -54 | 0 | 0 | 0 | 0 | 111.7 | Y103 F105 S110 L111 R127 T312 | Y103-S107 WeakPolarHBondContact O-CB 3.13Å; Y103-S107 PolarHBondContact O-N 3.27Å; Y103-S107 PolarHBondContact O-OG 3.43Å; F105-S107 PolarHBondContact O-N 2.64Å; S107-S110 PolarHBondContact O-N 3.05Å; S107-L111 WeakPolarHBondContact O-CG 3.22Å; S107-L111 PolarHBondContact O-N 3.38Å; S107-R127 PolarHBondContact OG-NH1 2.94Å; S107-T312 VanDerWaalsContact OG-CG2 3.27Å; S107-T312 WeakPolarHBondContact OG-CG2 3.3Å |
| 108 | W | 87.4 | Confident | 80.1 | Confident | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.186 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 175.3 | -176.4 | 51.9 | 0 | 0 | 0 | 111.9 | V66 W67 A104 F105 L111 L112 | V66-W108 HydrophobicContact CB-CB 4.39Å; V66-W108 HydrophobicContact CG1-CB 4.07Å; V66-W108 HydrophobicContact CG1-CG 4.34Å; V66-W108 HydrophobicContact CG2-CB 3.89Å; V66-W108 HydrophobicContact CG2-CG 4.31Å; W67-W108 AromaticContact NE1-CH2 3.76Å; A104-W108 VanDerWaalsContact O-CB 3.29Å; A104-W108 WeakPolarHBondContact O-CB 3.4Å; A104-W108 PolarHBondContact O-N 3.31Å; F105-W108 HydrophobicContact CD2-CE3 4.32Å; F105-W108 HydrophobicContact CE2-CE3 4.39Å; F105-W108 HydrophobicContact CE2-CZ3 4.37Å; F105-W108 PolarHBondContact O-N 3.4Å; W108-L111 WeakPolarHBondContact O-CB 3.27Å; W108-L111 PolarHBondContact O-N 3.24Å; W108-L112 HydrophobicContact CD2-CD1 4.2Å; W108-L112 HydrophobicContact CH2-CD1 4.28Å; W108-L112 HydrophobicContact CZ2-CD1 3.89Å; W108-L112 WeakPolarHBondContact O-CG 3.47Å; W108-L112 PolarHBondContact O-N 3.12Å |
| 109 | L | 85.1 | Confident | 79 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.6 | -162.1 | 62.8 | 0 | 0 | 0 | 111.1 | F105 D106 L111 L112 F113 F123 | F105-L109 HydrophobicContact CE1-CD2 4Å; F105-L109 HydrophobicContact CZ-CD2 4.47Å; F105-L109 VanDerWaalsContact O-CB 3.29Å; F105-L109 WeakPolarHBondContact O-CB 3.16Å; F105-L109 PolarHBondContact O-N 3.4Å; D106-L109 PolarHBondContact O-N 3.24Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.87Å; L109-L112 PolarHBondContact O-N 3.31Å; L109-L112 VanDerWaalsContact O-N 3.16Å; L109-F113 HydrophobicContact CD1-CD2 3.83Å; L109-F113 HydrophobicContact CD1-CE2 3.46Å; L109-F113 VanDerWaalsContact CD1-CE2 3.46Å; L109-F113 HydrophobicContact CG-CD2 3.91Å; L109-F113 HydrophobicContact CG-CE2 4Å; L109-F113 WeakPolarHBondContact O-CD2 3.38Å; L109-F113 PolarHBondContact O-N 3.3Å; L109-F123 HydrophobicContact CD2-CD1 4.26Å; L109-F123 HydrophobicContact CD2-CE1 3.4Å; L109-F123 VanDerWaalsContact CD2-CE1 3.4Å; L109-F123 HydrophobicContact CD2-CE2 4.28Å; L109-F123 HydrophobicContact CD2-CZ 3.41Å; L109-F123 VanDerWaalsContact CD2-CZ 3.41Å; L109-F123 HydrophobicContact CG-CE1 4.26Å; L109-F123 HydrophobicContact CG-CE2 4.32Å; L109-F123 HydrophobicContact CG-CZ 3.9Å |
| 110 | S | 81.2 | Confident | 78 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -31.9 | 174.7 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | D106 S107 I114 N309 | D106-S110 VanDerWaalsContact O-CB 3.26Å; D106-S110 WeakPolarHBondContact O-CB 3.3Å; D106-S110 PolarHBondContact O-N 2.93Å; S107-S110 PolarHBondContact O-N 3.05Å; S110-I114 VanDerWaalsContact O-CG1 3.31Å; S110-I114 WeakPolarHBondContact O-CG1 3.29Å; S110-I114 PolarHBondContact O-N 3.48Å; S110-N309 WeakPolarHBondContact CB-ND2 3.43Å; S110-N309 PolarHBondContact OG-ND2 3.29Å |
| 111 | L | 79.5 | Confident | 77 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.3 | -35.1 | 173.1 | -74.1 | 170.5 | 0 | 0 | 0 | 112.9 | S107 W108 L109 F113 I114 G306 N309 F310 | S107-L111 WeakPolarHBondContact O-CG 3.22Å; S107-L111 PolarHBondContact O-N 3.38Å; W108-L111 WeakPolarHBondContact O-CB 3.27Å; W108-L111 PolarHBondContact O-N 3.24Å; L109-L111 VanDerWaalsContact C-N 3.27Å; L109-L111 PolarHBondContact O-N 2.87Å; L111-F113 VanDerWaalsContact C-N 3.35Å; L111-I114 HydrophobicContact CD2-CD1 3.97Å; L111-I114 WeakPolarHBondContact O-CD1 3.41Å; L111-I114 WeakPolarHBondContact O-CG1 3.28Å; L111-G306 VanDerWaalsContact CD2-O 3.26Å; L111-G306 WeakPolarHBondContact CD2-O 3.44Å; L111-N309 HydrophobicContact CD1-CB 4.5Å; L111-N309 HydrophobicContact CD2-CB 4.03Å; L111-N309 HydrophobicContact CG-CB 3.9Å; L111-F310 HydrophobicContact CD1-CB 4.22Å; L111-F310 HydrophobicContact CD1-CD2 4.41Å; L111-F310 HydrophobicContact CD2-CB 4.24Å |
| 112 | L | 78.6 | Confident | 76.3 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 37% | 0.366 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.9 | -29.1 | 178.1 | -69.3 | 177.2 | 0 | 0 | 0 | 112.5 | W108 L109 | W108-L112 HydrophobicContact CD2-CD1 4.2Å; W108-L112 HydrophobicContact CH2-CD1 4.28Å; W108-L112 HydrophobicContact CZ2-CD1 3.89Å; W108-L112 WeakPolarHBondContact O-CG 3.47Å; W108-L112 PolarHBondContact O-N 3.12Å; L109-L112 PolarHBondContact O-N 3.31Å; L109-L112 VanDerWaalsContact O-N 3.16Å |
| 113 | F | 74.4 | Confident | 75.8 | Confident | 100 Ų | 100 | 48.6 Ų | 48.6 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 23.5 | -177.2 | -68.7 | -67.1 | 0 | 0 | 0 | 114.5 | L109 L111 S115 N116 | L109-F113 HydrophobicContact CD1-CD2 3.83Å; L109-F113 HydrophobicContact CD1-CE2 3.46Å; L109-F113 VanDerWaalsContact CD1-CE2 3.46Å; L109-F113 HydrophobicContact CG-CD2 3.91Å; L109-F113 HydrophobicContact CG-CE2 4Å; L109-F113 WeakPolarHBondContact O-CD2 3.38Å; L109-F113 PolarHBondContact O-N 3.3Å; L111-F113 VanDerWaalsContact C-N 3.35Å; F113-S115 PolarHBondContact O-N 2.86Å; F113-S115 VanDerWaalsContact O-N 3.09Å; F113-N116 PolarHBondContact O-N 2.59Å; F113-N116 VanDerWaalsContact O-N 3.08Å |
| 114 | I | 65.3 | Low | 75.2 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -33.6 | 178 | -68.1 | 172.2 | 0 | 0 | 0 | 112.1 | S110 L111 N116 I293 T302 | S110-I114 VanDerWaalsContact O-CG1 3.31Å; S110-I114 WeakPolarHBondContact O-CG1 3.29Å; S110-I114 PolarHBondContact O-N 3.48Å; L111-I114 HydrophobicContact CD2-CD1 3.97Å; L111-I114 WeakPolarHBondContact O-CD1 3.41Å; L111-I114 WeakPolarHBondContact O-CG1 3.28Å; I114-N116 PolarHBondContact O-N 3.23Å; I114-I293 HydrophobicContact CG2-CD1 4.33Å; I114-T302 HydrophobicContact CG2-CG2 4.46Å |
| 115 | S | 56.3 | Low | 74.7 | Confident | 44 Ų | 44 | 51 Ų | 51 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.9 | -177.2 | -50.5 | 0 | 0 | 0 | 0 | 114.6 | F113 | F113-S115 PolarHBondContact O-N 2.86Å; F113-S115 VanDerWaalsContact O-N 3.09Å |
| 116 | N | 62.9 | Low | 74.4 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -107.1 | 94.5 | 177.4 | -68.8 | -14.4 | 0 | 0 | 0 | 109.8 | F113 I114 Q118 Y119 | F113-N116 PolarHBondContact O-N 2.59Å; F113-N116 VanDerWaalsContact O-N 3.08Å; I114-N116 PolarHBondContact O-N 3.23Å; N116-Q118 PolarHBondContact O-N 2.89Å; N116-Y119 HydrophobicContact CB-CD2 3.58Å; N116-Y119 HydrophobicContact CB-CE2 4.03Å; N116-Y119 PolarHBondContact O-N 3.4Å |
| 117 | D | 57.6 | Low | 74.2 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 5.6 | -170.5 | -156.9 | 40 | 0 | 0 | 0 | 116.5 | Y120 T302 | D117-Y120 VanDerWaalsContact O-CE1 3.31Å; D117-Y120 WeakPolarHBondContact O-CE1 3.27Å; D117-T302 PolarHBondContact OD1-OG1 3.14Å |
| 118 | Q | 60.4 | Low | 74 | Confident | 105 Ų | 105 | 53.3 Ų | 53.3 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -17.3 | -177.1 | -59.9 | -63.1 | -66 | 0 | 0 | 114.1 | N116 Y122 | N116-Q118 PolarHBondContact O-N 2.89Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.25Å; Q118-Y122 WeakPolarHBondContact O-CE2 3.16Å |
| 119 | Y | 67.1 | Low | 73.9 | Confident | 130 Ų | 130 | 53 Ų | 53 | 51% | 0.51 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -27 | -174.4 | -72.4 | -78.7 | 0 | 0 | 0 | 113.8 | N116 V121 Y122 F123 | N116-Y119 HydrophobicContact CB-CD2 3.58Å; N116-Y119 HydrophobicContact CB-CE2 4.03Å; N116-Y119 PolarHBondContact O-N 3.4Å; Y119-V121 VanDerWaalsContact C-N 3.32Å; Y119-V121 PolarHBondContact O-N 2.74Å; Y119-Y122 PolarHBondContact O-N 3.2Å; Y119-F123 WeakPolarHBondContact O-CD2 3.15Å; Y119-F123 PolarHBondContact O-N 3.47Å |
| 120 | Y | 69.3 | Low | 74 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | -176.8 | 75.9 | -90 | 0 | 0 | 0 | 112 | D117 Y122 F123 D124 D214 | D117-Y120 VanDerWaalsContact O-CE1 3.31Å; D117-Y120 WeakPolarHBondContact O-CE1 3.27Å; Y120-Y122 PolarHBondContact O-N 3.41Å; Y120-F123 PolarHBondContact O-N 2.87Å; Y120-D124 PolarHBondContact O-N 2.88Å; Y120-D214 WeakPolarHBondContact CE2-OD2 3.44Å; Y120-D214 PolarHBondContact OH-OD2 3.3Å; Y120-D214 VanDerWaalsContact OH-OD2 3.08Å |
| 121 | V | 69.4 | Low | 74.2 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -33.3 | -179.3 | -175 | 0 | 0 | 0 | 0 | 112.6 | Y119 S125 T203 Q207 | Y119-V121 VanDerWaalsContact C-N 3.32Å; Y119-V121 PolarHBondContact O-N 2.74Å; V121-S125 WeakPolarHBondContact O-CB 3.31Å; V121-S125 PolarHBondContact O-N 3.41Å; V121-S125 PolarHBondContact O-OG 3.27Å; V121-T203 HydrophobicContact CG1-CG2 4.2Å; V121-Q207 VanDerWaalsContact CG1-OE1 3.28Å |
| 122 | Y | 75.5 | Confident | 74.5 | Confident | 115 Ų | 115 | 52.5 Ų | 52.5 | 45% | 0.451 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | 176.5 | -65.1 | -83.7 | 0 | 0 | 0 | 111.6 | Q118 Y119 Y120 D124 S125 V126 I204 | Q118-Y122 WeakPolarHBondContact O-CD2 3.25Å; Q118-Y122 WeakPolarHBondContact O-CE2 3.16Å; Y119-Y122 PolarHBondContact O-N 3.2Å; Y120-Y122 PolarHBondContact O-N 3.41Å; Y122-D124 VanDerWaalsContact C-N 3.35Å; Y122-S125 PolarHBondContact O-N 3.3Å; Y122-V126 WeakPolarHBondContact O-CG2 3.36Å; Y122-V126 PolarHBondContact O-N 3.45Å; Y122-I204 HydrophobicContact CE1-CD1 4.48Å; Y122-I204 HydrophobicContact CE1-CG2 4.5Å |
| 123 | F | 79.2 | Confident | 75 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 176.2 | -63.5 | -57.5 | 0 | 0 | 0 | 111.3 | D106 L109 Y119 Y120 S125 V126 R127 | D106-F123 HydrophobicContact CB-CB 4.48Å; L109-F123 HydrophobicContact CD2-CD1 4.26Å; L109-F123 HydrophobicContact CD2-CE1 3.4Å; L109-F123 VanDerWaalsContact CD2-CE1 3.4Å; L109-F123 HydrophobicContact CD2-CE2 4.28Å; L109-F123 HydrophobicContact CD2-CZ 3.41Å; L109-F123 VanDerWaalsContact CD2-CZ 3.41Å; L109-F123 HydrophobicContact CG-CE1 4.26Å; L109-F123 HydrophobicContact CG-CE2 4.32Å; L109-F123 HydrophobicContact CG-CZ 3.9Å; Y119-F123 WeakPolarHBondContact O-CD2 3.15Å; Y119-F123 PolarHBondContact O-N 3.47Å; Y120-F123 PolarHBondContact O-N 2.87Å; F123-S125 VanDerWaalsContact C-N 3.35Å; F123-S125 PolarHBondContact O-N 2.82Å; F123-V126 PolarHBondContact O-N 3Å; F123-R127 WeakPolarHBondContact O-CG 3.49Å; F123-R127 PolarHBondContact O-N 2.96Å; F123-R127 VanDerWaalsContact O-N 3.12Å |
| 124 | D | 75.9 | Confident | 75.6 | Confident | 43 Ų | 43 | 45.5 Ų | 45.5 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.3 | -69.2 | 19.8 | 0 | 0 | 0 | 110.8 | Y120 Y122 V126 R127 D128 | Y120-D124 PolarHBondContact O-N 2.88Å; Y122-D124 VanDerWaalsContact C-N 3.35Å; D124-V126 VanDerWaalsContact C-N 3.3Å; D124-V126 PolarHBondContact O-N 3.35Å; D124-R127 PolarHBondContact O-N 2.83Å; D124-R127 IonicContact OD1-CZ 3.13Å; D124-R127 IonicContact OD1-NE 3.4Å; D124-R127 IonicContact OD1-NH2 3.03Å; D124-R127 PolarHBondContact OD1-NH2 2.77Å; D124-R127 IonicContact OD2-NH2 3.88Å; D124-D128 VanDerWaalsContact O-CB 3.3Å; D124-D128 WeakPolarHBondContact O-CB 3.37Å; D124-D128 PolarHBondContact O-N 2.96Å |
| 125 | S | 80.9 | Confident | 76.6 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -38.3 | 178 | -63.5 | 0 | 0 | 0 | 0 | 113 | V121 Y122 F123 C129 | V121-S125 WeakPolarHBondContact O-CB 3.31Å; V121-S125 PolarHBondContact O-N 3.41Å; V121-S125 PolarHBondContact O-OG 3.27Å; Y122-S125 PolarHBondContact O-N 3.3Å; F123-S125 VanDerWaalsContact C-N 3.35Å; F123-S125 PolarHBondContact O-N 2.82Å; S125-C129 PolarHBondContact O-N 3.12Å; S125-C129 VanDerWaalsContact O-N 3.07Å; S125-C129 PolarHBondContact O-SG 2.89Å |
| 126 | V | 83 | Confident | 78.2 | Confident | 80 Ų | 80 | 42.5 Ų | 42.5 | 49% | 0.485 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.8 | -48.2 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y122 F123 D124 D128 C129 Y130 | Y122-V126 WeakPolarHBondContact O-CG2 3.36Å; Y122-V126 PolarHBondContact O-N 3.45Å; F123-V126 PolarHBondContact O-N 3Å; D124-V126 VanDerWaalsContact C-N 3.3Å; D124-V126 PolarHBondContact O-N 3.35Å; V126-D128 VanDerWaalsContact C-N 3.27Å; V126-D128 PolarHBondContact O-N 3.28Å; V126-C129 PolarHBondContact O-N 3.47Å; V126-Y130 PolarHBondContact O-N 3.48Å |
| 127 | R | 83.5 | Confident | 79.4 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.4 | -45.7 | 175.8 | -69.6 | -173.7 | -74.2 | 173.1 | -3.9 | 110.9 | Y103 D106 S107 F123 D124 C129 Y130 E131 N309 | Y103-R127 HydrophobicContact CD2-CB 4.44Å; Y103-R127 HydrophobicContact CD2-CG 4.3Å; Y103-R127 HydrophobicContact CE1-CB 4.42Å; Y103-R127 HydrophobicContact CE2-CB 4.01Å; Y103-R127 HydrophobicContact CE2-CG 4.37Å; Y103-R127 PolarHBondContact OH-O 3.41Å; D106-R127 HydrophobicContact CB-CG 3.83Å; D106-R127 WeakPolarHBondContact OD2-CG 3.43Å; S107-R127 PolarHBondContact OG-NH1 2.94Å; F123-R127 WeakPolarHBondContact O-CG 3.49Å; F123-R127 PolarHBondContact O-N 2.96Å; F123-R127 VanDerWaalsContact O-N 3.12Å; D124-R127 PolarHBondContact O-N 2.83Å; D124-R127 IonicContact OD1-CZ 3.13Å; D124-R127 IonicContact OD1-NE 3.4Å; D124-R127 IonicContact OD1-NH2 3.03Å; D124-R127 PolarHBondContact OD1-NH2 2.77Å; D124-R127 IonicContact OD2-NH2 3.88Å; R127-C129 PolarHBondContact O-N 3.43Å; R127-Y130 WeakPolarHBondContact O-CB 3.49Å; R127-Y130 PolarHBondContact O-N 3.44Å; R127-Y130 VanDerWaalsContact O-N 3.11Å; R127-E131 PolarHBondContact O-N 3.49Å; R127-N309 VanDerWaalsContact CZ-OD1 3.26Å; R127-N309 PolarHBondContact NH1-OD1 3.41Å; R127-N309 PolarHBondContact NH2-OD1 3.07Å |
| 128 | D | 80.9 | Confident | 80.8 | Confident | 61 Ų | 61 | 36 Ų | 36 | 33% | 0.326 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59 | -47.3 | 179.1 | -91.9 | -23.5 | 0 | 0 | 0 | 113.1 | D124 V126 Y130 E131 K196 | D124-D128 VanDerWaalsContact O-CB 3.3Å; D124-D128 WeakPolarHBondContact O-CB 3.37Å; D124-D128 PolarHBondContact O-N 2.96Å; V126-D128 VanDerWaalsContact C-N 3.27Å; V126-D128 PolarHBondContact O-N 3.28Å; D128-Y130 VanDerWaalsContact C-N 3.27Å; D128-Y130 PolarHBondContact O-N 3.15Å; D128-E131 WeakPolarHBondContact O-CB 3.34Å; D128-E131 PolarHBondContact O-N 3.19Å; D128-K196 HydrophobicContact CB-CD 4.47Å; D128-K196 HydrophobicContact CB-CG 4.42Å; D128-K196 WeakPolarHBondContact O-CD 3.34Å; D128-K196 WeakPolarHBondContact O-CE 3.3Å; D128-K196 PolarHBondContact O-NZ 2.62Å; D128-K196 VanDerWaalsContact OD1-CE 3.32Å; D128-K196 WeakPolarHBondContact OD1-CE 3.17Å; D128-K196 IonicContact OD1-NZ 2.73Å; D128-K196 PolarHBondContact OD1-NZ 2.96Å |
| 129 | C | 85.4 | Confident | 82 | Confident | 43 Ų | 43 | 31 Ų | 31 | 29% | 0.291 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 176.1 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | S125 V126 R127 A132 F133 | S125-C129 PolarHBondContact O-N 3.12Å; S125-C129 VanDerWaalsContact O-N 3.07Å; S125-C129 PolarHBondContact O-SG 2.89Å; V126-C129 PolarHBondContact O-N 3.47Å; R127-C129 PolarHBondContact O-N 3.43Å; C129-A132 PolarHBondContact O-N 3.34Å; C129-F133 PolarHBondContact O-N 3.03Å |
| 130 | Y | 88.1 | Confident | 82.9 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.3 | -35.1 | 179.6 | -155.2 | -94.9 | 0 | 0 | 0 | 112.7 | R95 F98 I99 I102 V126 R127 D128 A132 F133 V134 | R95-Y130 PolarHBondContact O-OH 2.92Å; F98-Y130 HydrophobicContact CB-CE1 4.33Å; F98-Y130 WeakPolarHBondContact CB-OH 3.38Å; I99-Y130 HydrophobicContact CB-CD1 4.19Å; I99-Y130 HydrophobicContact CB-CE1 3.99Å; I99-Y130 HydrophobicContact CG1-CD1 4.2Å; I102-Y130 HydrophobicContact CD1-CD1 3.95Å; I102-Y130 HydrophobicContact CD1-CD2 3.36Å; I102-Y130 HydrophobicContact CD1-CE1 3.9Å; I102-Y130 HydrophobicContact CD1-CE2 3.28Å; I102-Y130 HydrophobicContact CD1-CG 3.7Å; V126-Y130 PolarHBondContact O-N 3.48Å; R127-Y130 WeakPolarHBondContact O-CB 3.49Å; R127-Y130 PolarHBondContact O-N 3.44Å; R127-Y130 VanDerWaalsContact O-N 3.11Å; D128-Y130 VanDerWaalsContact C-N 3.27Å; D128-Y130 PolarHBondContact O-N 3.15Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; Y130-A132 PolarHBondContact O-N 3.01Å; Y130-F133 HydrophobicContact CD2-CD1 4.27Å; Y130-F133 AromaticContact CE2-CD1 3.75Å; Y130-F133 HydrophobicContact CE2-CD1 3.75Å; Y130-F133 HydrophobicContact CE2-CE1 4.28Å; Y130-F133 AromaticContact CZ-CD1 3.97Å; Y130-F133 WeakPolarHBondContact O-CB 3.32Å; Y130-F133 PolarHBondContact O-N 3.47Å; Y130-V134 HydrophobicContact CD1-CG2 3.5Å; Y130-V134 HydrophobicContact CE1-CG2 3.3Å; Y130-V134 WeakPolarHBondContact O-CG2 3.44Å; Y130-V134 PolarHBondContact O-N 3.34Å |
| 131 | E | 84.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.5 | -48.5 | 174.6 | -162.7 | -170 | 113 | 0 | 0 | 111.7 | Y103 R127 D128 F133 V134 I135 K196 I268 | Y103-E131 WeakPolarHBondContact OH-CB 3.47Å; R127-E131 PolarHBondContact O-N 3.49Å; D128-E131 WeakPolarHBondContact O-CB 3.34Å; D128-E131 PolarHBondContact O-N 3.19Å; E131-F133 VanDerWaalsContact C-N 3.33Å; E131-F133 PolarHBondContact O-N 3.04Å; E131-V134 PolarHBondContact O-N 3.16Å; E131-I135 WeakPolarHBondContact O-CG1 3.44Å; E131-I135 PolarHBondContact O-N 3.33Å; E131-I135 VanDerWaalsContact O-N 3.11Å; E131-K196 IonicContact OE1-NZ 2.59Å; E131-K196 PolarHBondContact OE1-NZ 2.72Å; E131-K196 IonicContact OE2-NZ 3.98Å; E131-K196 PolarHBondContact OE2-NZ 2.84Å; E131-I268 HydrophobicContact CG-CG1 4.33Å; E131-I268 HydrophobicContact CG-CG2 3.78Å |
| 132 | A | 87.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C129 Y130 V134 I135 Y136 F192 C193 K196 | C129-A132 PolarHBondContact O-N 3.34Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; Y130-A132 PolarHBondContact O-N 3.01Å; A132-V134 VanDerWaalsContact C-N 3.3Å; A132-V134 PolarHBondContact O-N 3.12Å; A132-I135 PolarHBondContact O-N 3.12Å; A132-Y136 PolarHBondContact O-N 2.99Å; A132-Y136 VanDerWaalsContact O-N 3.11Å; A132-F192 HydrophobicContact CB-CD1 3.53Å; A132-F192 HydrophobicContact CB-CE1 3.51Å; A132-F192 HydrophobicContact CB-CG 4.37Å; A132-F192 HydrophobicContact CB-CZ 4.33Å; A132-C193 PolarHBondContact O-SG 3.38Å; A132-K196 HydrophobicContact CB-CB 4.08Å; A132-K196 HydrophobicContact CB-CD 4.08Å |
| 133 | F | 88.1 | Confident | 84.8 | Confident | 24 Ų | 24 | 18.6 Ų | 18.6 | 11% | 0.105 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 174.6 | -173.7 | -119.7 | 0 | 0 | 0 | 111.9 | R95 C129 Y130 E131 Y136 N137 P362 M365 | R95-F133 HydrophobicContact CB-CE1 4.03Å; R95-F133 HydrophobicContact CG-CE1 4.04Å; R95-F133 HydrophobicContact CG-CZ 4.17Å; C129-F133 PolarHBondContact O-N 3.03Å; Y130-F133 HydrophobicContact CD2-CD1 4.27Å; Y130-F133 AromaticContact CE2-CD1 3.75Å; Y130-F133 HydrophobicContact CE2-CD1 3.75Å; Y130-F133 HydrophobicContact CE2-CE1 4.28Å; Y130-F133 AromaticContact CZ-CD1 3.97Å; Y130-F133 WeakPolarHBondContact O-CB 3.32Å; Y130-F133 PolarHBondContact O-N 3.47Å; E131-F133 VanDerWaalsContact C-N 3.33Å; E131-F133 PolarHBondContact O-N 3.04Å; F133-Y136 PolarHBondContact O-N 3.45Å; F133-N137 VanDerWaalsContact CD1-ND2 3.26Å; F133-N137 WeakPolarHBondContact CD1-ND2 3.41Å; F133-N137 WeakPolarHBondContact CD2-ND2 3.28Å; F133-N137 WeakPolarHBondContact CE1-ND2 3.26Å; F133-N137 VanDerWaalsContact CE2-ND2 3.31Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.46Å; F133-N137 WeakPolarHBondContact CG-ND2 3.43Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.01Å; F133-N137 PolarHBondContact O-N 2.99Å; F133-N137 PolarHBondContact O-ND2 3.5Å; F133-P362 HydrophobicContact CE2-CB 4.45Å; F133-M365 HydrophobicContact CD2-SD 4.02Å; F133-M365 HydrophobicContact CE2-SD 4.47Å |
| 134 | V | 87.1 | Confident | 85 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 179.1 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | I96 I99 Y130 E131 A132 Y136 N137 F138 I264 I268 | I96-V134 HydrophobicContact CG1-CG1 4.39Å; I96-V134 HydrophobicContact CG2-CG1 4.34Å; I99-V134 HydrophobicContact CB-CG2 3.91Å; I99-V134 HydrophobicContact CD1-CB 4.34Å; I99-V134 HydrophobicContact CD1-CG1 4.15Å; I99-V134 HydrophobicContact CD1-CG2 4.03Å; I99-V134 HydrophobicContact CG1-CG2 4.14Å; Y130-V134 HydrophobicContact CD1-CG2 3.5Å; Y130-V134 HydrophobicContact CE1-CG2 3.3Å; Y130-V134 WeakPolarHBondContact O-CG2 3.44Å; Y130-V134 PolarHBondContact O-N 3.34Å; E131-V134 PolarHBondContact O-N 3.16Å; A132-V134 VanDerWaalsContact C-N 3.3Å; A132-V134 PolarHBondContact O-N 3.12Å; V134-Y136 VanDerWaalsContact C-N 3.32Å; V134-Y136 PolarHBondContact O-N 2.88Å; V134-N137 PolarHBondContact O-N 3.49Å; V134-F138 WeakPolarHBondContact O-CB 3.34Å; V134-F138 PolarHBondContact O-N 3.4Å; V134-I264 HydrophobicContact CG1-CG2 4.12Å; V134-I268 HydrophobicContact CG1-CD1 4.22Å |
| 135 | I | 86.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.4 | -62.5 | -179.6 | 0 | 0 | 0 | 110.6 | E131 A132 F138 L139 T189 F192 L238 L241 I268 | E131-I135 WeakPolarHBondContact O-CG1 3.44Å; E131-I135 PolarHBondContact O-N 3.33Å; E131-I135 VanDerWaalsContact O-N 3.11Å; A132-I135 PolarHBondContact O-N 3.12Å; I135-F138 PolarHBondContact O-N 3.1Å; I135-L139 PolarHBondContact O-N 3.47Å; I135-T189 HydrophobicContact CB-CG2 4.48Å; I135-T189 HydrophobicContact CG2-CG2 3.74Å; I135-F192 HydrophobicContact CD1-CD1 4.02Å; I135-F192 HydrophobicContact CD1-CE1 3.61Å; I135-L238 HydrophobicContact CD1-CD2 3.89Å; I135-L238 HydrophobicContact CD1-CG 4.49Å; I135-L241 HydrophobicContact CG2-CD2 4.33Å; I135-I268 HydrophobicContact CD1-CD1 4.35Å; I135-I268 HydrophobicContact CG1-CD1 3.69Å |
| 136 | Y | 89.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.3 | 165.1 | -96.8 | 0 | 0 | 0 | 112.9 | A132 F133 V134 F138 L139 S140 L190 C193 M365 D368 | A132-Y136 PolarHBondContact O-N 2.99Å; A132-Y136 VanDerWaalsContact O-N 3.11Å; F133-Y136 PolarHBondContact O-N 3.45Å; V134-Y136 VanDerWaalsContact C-N 3.32Å; V134-Y136 PolarHBondContact O-N 2.88Å; Y136-F138 VanDerWaalsContact C-N 3.26Å; Y136-F138 PolarHBondContact O-N 3.34Å; Y136-L139 PolarHBondContact O-N 2.97Å; Y136-S140 VanDerWaalsContact CE2-OG 3.27Å; Y136-S140 WeakPolarHBondContact CE2-OG 3.43Å; Y136-S140 VanDerWaalsContact CZ-OG 3.26Å; Y136-S140 WeakPolarHBondContact O-CB 3.38Å; Y136-S140 PolarHBondContact O-N 2.83Å; Y136-S140 PolarHBondContact O-OG 3.44Å; Y136-L190 HydrophobicContact CD2-CD2 3.69Å; Y136-L190 HydrophobicContact CD2-CG 4.34Å; Y136-L190 HydrophobicContact CE2-CD2 3.73Å; Y136-L190 HydrophobicContact CE2-CG 4.49Å; Y136-C193 WeakPolarHBondContact CB-SG 3.35Å; Y136-M365 HydrophobicContact CD1-CB 4.02Å; Y136-M365 HydrophobicContact CD1-CG 3.82Å; Y136-M365 HydrophobicContact CD1-SD 4.05Å; Y136-M365 HydrophobicContact CD2-CG 4.16Å; Y136-M365 HydrophobicContact CE1-CB 3.52Å; Y136-M365 HydrophobicContact CE1-CG 3.77Å; Y136-M365 HydrophobicContact CE2-CB 4.41Å; Y136-M365 HydrophobicContact CE2-CG 4.12Å; Y136-M365 HydrophobicContact CG-CG 4.02Å; Y136-M365 HydrophobicContact CG-SD 4.24Å; Y136-M365 WeakPolarHBondContact OH-CA 3.43Å; Y136-M365 PolarHBondContact OH-N 2.86Å; Y136-D368 HydrophobicContact CE2-CB 4.36Å; Y136-D368 PolarHBondContact OH-OD2 3.21Å |
| 137 | N | 88.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64 | -35.3 | 179.7 | -74.6 | -68.2 | 0 | 0 | 0 | 111.6 | Y92 R95 I96 F133 V134 S140 L141 | Y92-N137 HydrophobicContact CD1-CB 4.16Å; Y92-N137 VanDerWaalsContact CD1-OD1 3.28Å; Y92-N137 WeakPolarHBondContact CD1-OD1 3.28Å; R95-N137 HydrophobicContact CB-CB 4.39Å; R95-N137 VanDerWaalsContact CD-CG 3.49Å; R95-N137 WeakPolarHBondContact CD-OD1 3.48Å; R95-N137 PolarHBondContact NH1-OD1 3.17Å; I96-N137 HydrophobicContact CG1-CB 4.03Å; F133-N137 VanDerWaalsContact CD1-ND2 3.26Å; F133-N137 WeakPolarHBondContact CD1-ND2 3.41Å; F133-N137 WeakPolarHBondContact CD2-ND2 3.28Å; F133-N137 WeakPolarHBondContact CE1-ND2 3.26Å; F133-N137 VanDerWaalsContact CE2-ND2 3.31Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.46Å; F133-N137 WeakPolarHBondContact CG-ND2 3.43Å; F133-N137 WeakPolarHBondContact CZ-ND2 3.01Å; F133-N137 PolarHBondContact O-N 2.99Å; F133-N137 PolarHBondContact O-ND2 3.5Å; V134-N137 PolarHBondContact O-N 3.49Å; N137-S140 PolarHBondContact O-N 2.83Å; N137-L141 VanDerWaalsContact O-CB 3.26Å; N137-L141 WeakPolarHBondContact O-CB 3.28Å; N137-L141 PolarHBondContact O-N 3.44Å |
| 138 | F | 86.3 | Confident | 84.5 | Confident | 10 Ų | 10 | 17.6 Ų | 17.6 | 4% | 0.044 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | 176.3 | 178.1 | -105.5 | 0 | 0 | 0 | 112.8 | I96 V134 I135 Y136 S142 L241 F261 I264 | I96-F138 HydrophobicContact CD1-CB 4.04Å; I96-F138 HydrophobicContact CD1-CD2 4.29Å; V134-F138 WeakPolarHBondContact O-CB 3.34Å; V134-F138 PolarHBondContact O-N 3.4Å; I135-F138 PolarHBondContact O-N 3.1Å; Y136-F138 VanDerWaalsContact C-N 3.26Å; Y136-F138 PolarHBondContact O-N 3.34Å; F138-S142 PolarHBondContact O-N 2.9Å; F138-S142 VanDerWaalsContact O-N 3.1Å; F138-S142 PolarHBondContact O-OG 3.42Å; F138-L241 HydrophobicContact CD1-CD1 3.66Å; F138-L241 HydrophobicContact CD1-CD2 3.72Å; F138-L241 HydrophobicContact CD1-CG 4.16Å; F138-L241 HydrophobicContact CE1-CD1 3.89Å; F138-L241 HydrophobicContact CE1-CD2 3.96Å; F138-L241 HydrophobicContact CE1-CG 4.19Å; F138-F261 AromaticContact CE1-CD2 3.38Å; F138-F261 HydrophobicContact CE1-CD2 3.38Å; F138-F261 AromaticContact CE1-CE2 3.91Å; F138-F261 HydrophobicContact CE1-CE2 3.91Å; F138-F261 HydrophobicContact CE1-CG 4.34Å; F138-F261 HydrophobicContact CZ-CB 3.88Å; F138-F261 AromaticContact CZ-CD2 3.49Å; F138-F261 HydrophobicContact CZ-CD2 3.49Å; F138-F261 VanDerWaalsContact CZ-CD2 3.49Å; F138-F261 HydrophobicContact CZ-CE2 4.44Å; F138-F261 HydrophobicContact CZ-CG 4.11Å; F138-I264 HydrophobicContact CB-CD1 4.28Å; F138-I264 HydrophobicContact CD2-CD1 3.15Å; F138-I264 HydrophobicContact CD2-CG1 4.48Å; F138-I264 HydrophobicContact CE2-CD1 3.65Å; F138-I264 HydrophobicContact CG-CD1 3.85Å; F138-I264 HydrophobicContact CG-CG2 4.46Å |
| 139 | L | 86.1 | Confident | 84 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.1 | -50.5 | 172.2 | -178.9 | 65.9 | 0 | 0 | 0 | 110.2 | I135 Y136 L141 S142 F143 K186 T189 L241 F244 | I135-L139 PolarHBondContact O-N 3.47Å; Y136-L139 PolarHBondContact O-N 2.97Å; L139-L141 PolarHBondContact O-N 3.45Å; L139-S142 WeakPolarHBondContact O-CA 3.25Å; L139-S142 WeakPolarHBondContact O-CB 3.39Å; L139-S142 PolarHBondContact O-N 3.46Å; L139-F143 HydrophobicContact CD1-CD2 4.15Å; L139-F143 HydrophobicContact CD1-CE2 3.72Å; L139-F143 HydrophobicContact CD2-CE2 4.18Å; L139-F143 HydrophobicContact CG-CD2 3.98Å; L139-F143 HydrophobicContact CG-CE2 3.73Å; L139-F143 WeakPolarHBondContact O-CD2 3.17Å; L139-F143 PolarHBondContact O-N 2.85Å; L139-K186 HydrophobicContact CD2-CB 4.41Å; L139-T189 HydrophobicContact CB-CG2 4.46Å; L139-T189 HydrophobicContact CD2-CG2 4.14Å; L139-L241 HydrophobicContact CB-CD1 3.93Å; L139-L241 HydrophobicContact CD1-CD1 3.86Å; L139-L241 HydrophobicContact CG-CD1 4.48Å; L139-F244 HydrophobicContact CD1-CB 4.2Å; L139-F244 HydrophobicContact CD1-CD1 3.85Å; L139-F244 HydrophobicContact CD1-CD2 4.25Å; L139-F244 HydrophobicContact CD1-CE1 4.32Å; L139-F244 HydrophobicContact CD1-CG 3.81Å |
| 140 | S | 86.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | -178.1 | -54 | 0 | 0 | 0 | 0 | 112.5 | Y92 Y136 N137 S142 F143 E144 | Y92-S140 VanDerWaalsContact CE1-CB 3.46Å; Y136-S140 VanDerWaalsContact CE2-OG 3.27Å; Y136-S140 WeakPolarHBondContact CE2-OG 3.43Å; Y136-S140 VanDerWaalsContact CZ-OG 3.26Å; Y136-S140 WeakPolarHBondContact O-CB 3.38Å; Y136-S140 PolarHBondContact O-N 2.83Å; Y136-S140 PolarHBondContact O-OG 3.44Å; N137-S140 PolarHBondContact O-N 2.83Å; S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.1Å; S140-F143 WeakPolarHBondContact O-CB 3.48Å; S140-F143 PolarHBondContact O-N 3.42Å; S140-F143 VanDerWaalsContact O-N 3.14Å; S140-E144 PolarHBondContact O-N 2.97Å |
| 141 | L | 86.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.1 | -40.9 | 172 | 179 | 60 | 0 | 0 | 0 | 111.9 | E89 Y92 I93 I96 N137 L139 F143 E144 Y145 F327 | E89-L141 HydrophobicContact CB-CD1 4.1Å; Y92-L141 HydrophobicContact CG-CB 4.33Å; I93-L141 HydrophobicContact CD1-CD1 4.35Å; I93-L141 HydrophobicContact CG1-CD1 3.93Å; I93-L141 HydrophobicContact CG1-CD2 3.66Å; I93-L141 HydrophobicContact CG1-CG 4.48Å; I96-L141 HydrophobicContact CD1-CD2 3.96Å; N137-L141 VanDerWaalsContact O-CB 3.26Å; N137-L141 WeakPolarHBondContact O-CB 3.28Å; N137-L141 PolarHBondContact O-N 3.44Å; L139-L141 PolarHBondContact O-N 3.45Å; L141-F143 VanDerWaalsContact C-N 3.3Å; L141-F143 PolarHBondContact O-N 3.06Å; L141-E144 PolarHBondContact O-N 3.2Å; L141-Y145 HydrophobicContact CD1-CD1 4.29Å; L141-Y145 HydrophobicContact CD1-CD2 4.32Å; L141-Y145 HydrophobicContact CD1-CE1 3.86Å; L141-Y145 HydrophobicContact CD1-CE2 3.91Å; L141-Y145 HydrophobicContact CD2-CE2 3.91Å; L141-Y145 HydrophobicContact CG-CD2 4.04Å; L141-Y145 HydrophobicContact CG-CE2 3.65Å; L141-Y145 PolarHBondContact O-N 3.3Å; L141-F327 HydrophobicContact CD2-CE1 3.79Å; L141-F327 HydrophobicContact CD2-CZ 4.35Å |
| 142 | S | 82.6 | Confident | 81.9 | Confident | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69 | -31 | 179.6 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | F138 L139 S140 L146 F244 | F138-S142 PolarHBondContact O-N 2.9Å; F138-S142 VanDerWaalsContact O-N 3.1Å; F138-S142 PolarHBondContact O-OG 3.42Å; L139-S142 WeakPolarHBondContact O-CA 3.25Å; L139-S142 WeakPolarHBondContact O-CB 3.39Å; L139-S142 PolarHBondContact O-N 3.46Å; S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.1Å; S142-L146 WeakPolarHBondContact O-CD1 3.31Å; S142-L146 WeakPolarHBondContact O-CG 3.2Å; S142-F244 VanDerWaalsContact CB-CE1 3.49Å |
| 143 | F | 83.4 | Confident | 81 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | 169.6 | -85.6 | -89.1 | 0 | 0 | 0 | 111.9 | L139 S140 L141 L146 G148 E149 I152 L182 F244 | L139-F143 HydrophobicContact CD1-CD2 4.15Å; L139-F143 HydrophobicContact CD1-CE2 3.72Å; L139-F143 HydrophobicContact CD2-CE2 4.18Å; L139-F143 HydrophobicContact CG-CD2 3.98Å; L139-F143 HydrophobicContact CG-CE2 3.73Å; L139-F143 WeakPolarHBondContact O-CD2 3.17Å; L139-F143 PolarHBondContact O-N 2.85Å; S140-F143 WeakPolarHBondContact O-CB 3.48Å; S140-F143 PolarHBondContact O-N 3.42Å; S140-F143 VanDerWaalsContact O-N 3.14Å; L141-F143 VanDerWaalsContact C-N 3.3Å; L141-F143 PolarHBondContact O-N 3.06Å; F143-L146 PolarHBondContact O-N 3.4Å; F143-G148 WeakPolarHBondContact O-CA 3.26Å; F143-G148 PolarHBondContact O-N 3.32Å; F143-E149 HydrophobicContact CD1-CG 3.92Å; F143-E149 HydrophobicContact CE1-CG 3.97Å; F143-I152 HydrophobicContact CB-CD1 4.39Å; F143-I152 HydrophobicContact CD1-CD1 3.37Å; F143-I152 HydrophobicContact CE1-CD1 3.93Å; F143-I152 HydrophobicContact CG-CD1 4.12Å; F143-L182 HydrophobicContact CE1-CB 4.15Å; F143-L182 HydrophobicContact CE1-CD2 3.62Å; F143-L182 HydrophobicContact CE1-CG 4.26Å; F143-L182 HydrophobicContact CZ-CB 4.11Å; F143-L182 HydrophobicContact CZ-CD2 4.27Å; F143-L182 HydrophobicContact CZ-CG 4.44Å; F143-F244 HydrophobicContact CD1-CE2 4.35Å; F143-F244 HydrophobicContact CD1-CZ 4.47Å; F143-F244 HydrophobicContact CD2-CE2 4.08Å; F143-F244 AromaticContact CD2-CZ 3.98Å; F143-F244 HydrophobicContact CD2-CZ 3.98Å; F143-F244 AromaticContact CE1-CE2 3.93Å; F143-F244 HydrophobicContact CE1-CE2 3.93Å; F143-F244 HydrophobicContact CE1-CZ 4.48Å; F143-F244 HydrophobicContact CE2-CD2 4.13Å; F143-F244 AromaticContact CE2-CE2 3.62Å; F143-F244 HydrophobicContact CE2-CE2 3.62Å; F143-F244 AromaticContact CE2-CZ 3.98Å; F143-F244 HydrophobicContact CE2-CZ 3.98Å; F143-F244 HydrophobicContact CG-CE2 4.41Å; F143-F244 HydrophobicContact CG-CZ 4.21Å; F143-F244 HydrophobicContact CZ-CD2 4.09Å; F143-F244 AromaticContact CZ-CE2 3.52Å; F143-F244 HydrophobicContact CZ-CE2 3.52Å; F143-F244 HydrophobicContact CZ-CZ 4.24Å |
| 144 | E | 85.1 | Confident | 80.1 | Confident | 63 Ų | 63 | 25.4 Ų | 25.4 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.7 | -70.9 | -58.1 | 141.1 | 0 | 0 | 112.6 | E89 Y92 S140 L141 L146 G147 | E89-E144 HydrophobicContact CG-CB 4.48Å; Y92-E144 HydrophobicContact CD2-CG 4.11Å; Y92-E144 HydrophobicContact CE2-CG 3.65Å; S140-E144 PolarHBondContact O-N 2.97Å; L141-E144 PolarHBondContact O-N 3.2Å; E144-L146 PolarHBondContact O-N 3.37Å; E144-L146 VanDerWaalsContact O-N 3.09Å; E144-G147 PolarHBondContact O-N 3.08Å |
| 145 | Y | 80.3 | Confident | 79.2 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 7% | 0.071 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -23.7 | 176.9 | -77.6 | -27.7 | 0 | 0 | 0 | 113.9 | E89 I93 L141 L252 | E89-Y145 HydrophobicContact CB-CE1 4.18Å; E89-Y145 HydrophobicContact CG-CD1 3.93Å; E89-Y145 HydrophobicContact CG-CE1 3.91Å; E89-Y145 WeakPolarHBondContact OE2-CE1 3.43Å; I93-Y145 WeakPolarHBondContact CD1-OH 2.87Å; L141-Y145 HydrophobicContact CD1-CD1 4.29Å; L141-Y145 HydrophobicContact CD1-CD2 4.32Å; L141-Y145 HydrophobicContact CD1-CE1 3.86Å; L141-Y145 HydrophobicContact CD1-CE2 3.91Å; L141-Y145 HydrophobicContact CD2-CE2 3.91Å; L141-Y145 HydrophobicContact CG-CD2 4.04Å; L141-Y145 HydrophobicContact CG-CE2 3.65Å; L141-Y145 PolarHBondContact O-N 3.3Å; Y145-L252 HydrophobicContact CD2-CD2 4.05Å; Y145-L252 HydrophobicContact CG-CD2 4.43Å |
| 146 | L | 77.4 | Confident | 78.2 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 12% | 0.12 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 4.3 | 177.5 | -64 | 167.4 | 0 | 0 | 0 | 113 | S142 F143 E144 A151 I152 F244 T248 L251 L252 | S142-L146 WeakPolarHBondContact O-CD1 3.31Å; S142-L146 WeakPolarHBondContact O-CG 3.2Å; F143-L146 PolarHBondContact O-N 3.4Å; E144-L146 PolarHBondContact O-N 3.37Å; E144-L146 VanDerWaalsContact O-N 3.09Å; L146-A151 WeakPolarHBondContact O-CB 3.36Å; L146-I152 HydrophobicContact CB-CD1 3.74Å; L146-I152 HydrophobicContact CB-CG1 3.28Å; L146-I152 HydrophobicContact CD1-CD1 3.74Å; L146-I152 HydrophobicContact CD1-CG1 3.69Å; L146-I152 HydrophobicContact CG-CD1 4.39Å; L146-I152 HydrophobicContact CG-CG1 4.1Å; L146-F244 HydrophobicContact CD1-CE1 4.44Å; L146-F244 HydrophobicContact CD1-CZ 3.93Å; L146-T248 HydrophobicContact CD1-CG2 3.55Å; L146-L251 HydrophobicContact CD2-CB 3.4Å; L146-L251 HydrophobicContact CD2-CD2 4.01Å; L146-L251 HydrophobicContact CD2-CG 4.38Å; L146-L252 HydrophobicContact CD1-CD1 4.29Å; L146-L252 HydrophobicContact CD1-CG 4.44Å; L146-L252 HydrophobicContact CD2-CG 3.9Å; L146-L252 HydrophobicContact CG-CD2 4.47Å; L146-L252 HydrophobicContact CG-CG 4.17Å |
| 147 | G | 74.9 | Confident | 76.8 | Confident | 55 Ų | 55 | 41 Ų | 41 | 57% | 0.567 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 20.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E144 A151 | E144-G147 PolarHBondContact O-N 3.08Å; G147-A151 WeakPolarHBondContact O-CB 3.41Å |
| 148 | G | 78.9 | Confident | 75.2 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | 85.9 | 178.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F143 S150 A151 I152 | F143-G148 WeakPolarHBondContact O-CA 3.26Å; F143-G148 PolarHBondContact O-N 3.32Å; G148-S150 VanDerWaalsContact C-N 3.27Å; G148-S150 PolarHBondContact O-N 3.48Å; G148-A151 PolarHBondContact O-N 3.22Å; G148-I152 WeakPolarHBondContact O-CD1 3.41Å; G148-I152 WeakPolarHBondContact O-CG1 3.4Å; G148-I152 PolarHBondContact O-N 3.46Å; G148-I152 VanDerWaalsContact O-N 3.15Å |
| 149 | E | 71.9 | Confident | 74 | Confident | 57 Ų | 57 | 49 Ų | 49 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.9 | -37.1 | -171.4 | -64 | -175.5 | -174.2 | 0 | 0 | 112.9 | F143 M153 K186 | F143-E149 HydrophobicContact CD1-CG 3.92Å; F143-E149 HydrophobicContact CE1-CG 3.97Å; E149-M153 VanDerWaalsContact O-CB 3.29Å; E149-M153 WeakPolarHBondContact O-CB 3.33Å; E149-M153 PolarHBondContact O-N 3.31Å; E149-K186 IonicContact OE1-NZ 3.58Å; E149-K186 PolarHBondContact OE1-NZ 3.15Å |
| 150 | S | 69.6 | Low | 72.6 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -72 | -42.3 | -177.4 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | G148 M153 S154 | G148-S150 VanDerWaalsContact C-N 3.27Å; G148-S150 PolarHBondContact O-N 3.48Å; S150-M153 PolarHBondContact O-N 3.27Å; S150-S154 PolarHBondContact O-N 3.37Å; S150-S154 PolarHBondContact O-OG 2.74Å |
| 151 | A | 72.4 | Confident | 71.2 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L146 G147 G148 M153 S154 E155 | L146-A151 WeakPolarHBondContact O-CB 3.36Å; G147-A151 WeakPolarHBondContact O-CB 3.41Å; G148-A151 PolarHBondContact O-N 3.22Å; A151-M153 VanDerWaalsContact C-N 3.31Å; A151-M153 PolarHBondContact O-N 3.03Å; A151-S154 WeakPolarHBondContact CA-OG 3.47Å; A151-S154 PolarHBondContact O-N 2.94Å; A151-S154 PolarHBondContact O-OG 3.14Å; A151-E155 WeakPolarHBondContact O-CG 3.11Å; A151-E155 PolarHBondContact O-N 3.44Å |
| 152 | I | 71.4 | Confident | 69.6 | Low | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 171.3 | -61.5 | 164.1 | 0 | 0 | 0 | 109.3 | F143 L146 G148 S154 E155 I156 L182 F244 | F143-I152 HydrophobicContact CB-CD1 4.39Å; F143-I152 HydrophobicContact CD1-CD1 3.37Å; F143-I152 HydrophobicContact CE1-CD1 3.93Å; F143-I152 HydrophobicContact CG-CD1 4.12Å; L146-I152 HydrophobicContact CB-CD1 3.74Å; L146-I152 HydrophobicContact CB-CG1 3.28Å; L146-I152 HydrophobicContact CD1-CD1 3.74Å; L146-I152 HydrophobicContact CD1-CG1 3.69Å; L146-I152 HydrophobicContact CG-CD1 4.39Å; L146-I152 HydrophobicContact CG-CG1 4.1Å; G148-I152 WeakPolarHBondContact O-CD1 3.41Å; G148-I152 WeakPolarHBondContact O-CG1 3.4Å; G148-I152 PolarHBondContact O-N 3.46Å; G148-I152 VanDerWaalsContact O-N 3.15Å; I152-S154 VanDerWaalsContact C-N 3.29Å; I152-S154 PolarHBondContact O-N 3.25Å; I152-E155 PolarHBondContact O-N 3.22Å; I152-I156 HydrophobicContact CG2-CD1 3.31Å; I152-I156 HydrophobicContact CG2-CG1 3.93Å; I152-I156 WeakPolarHBondContact O-CB 3.28Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.43Å; I152-I156 PolarHBondContact O-N 3.41Å; I152-L182 HydrophobicContact CB-CD2 3.96Å; I152-L182 HydrophobicContact CD1-CD2 4.22Å; I152-L182 HydrophobicContact CG2-CD2 3.48Å; I152-L182 VanDerWaalsContact CG2-CD2 3.48Å; I152-L182 HydrophobicContact CG2-CG 4.45Å; I152-F244 HydrophobicContact CD1-CZ 4.47Å |
| 153 | M | 67.9 | Low | 68 | Low | 53 Ų | 53 | 63.9 Ų | 63.9 | 26% | 0.261 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.6 | -34.9 | -178.5 | -170.3 | 68.6 | 178.2 | 0 | 0 | 112.7 | E149 S150 A151 R157 I179 | E149-M153 VanDerWaalsContact O-CB 3.29Å; E149-M153 WeakPolarHBondContact O-CB 3.33Å; E149-M153 PolarHBondContact O-N 3.31Å; S150-M153 PolarHBondContact O-N 3.27Å; A151-M153 VanDerWaalsContact C-N 3.31Å; A151-M153 PolarHBondContact O-N 3.03Å; M153-R157 WeakPolarHBondContact O-CB 3.32Å; M153-R157 PolarHBondContact O-N 2.88Å; M153-I179 HydrophobicContact CE-CB 3.93Å; M153-I179 HydrophobicContact CE-CG2 4.39Å; M153-I179 HydrophobicContact SD-CB 4.05Å |
| 154 | S | 68.3 | Low | 66.6 | Low | 78 Ų | 78 | 65.5 Ų | 65.5 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.7 | -42.2 | 175.9 | 54 | 0 | 0 | 0 | 0 | 113 | S150 A151 I152 I156 | S150-S154 PolarHBondContact O-N 3.37Å; S150-S154 PolarHBondContact O-OG 2.74Å; A151-S154 WeakPolarHBondContact CA-OG 3.47Å; A151-S154 PolarHBondContact O-N 2.94Å; A151-S154 PolarHBondContact O-OG 3.14Å; I152-S154 VanDerWaalsContact C-N 3.29Å; I152-S154 PolarHBondContact O-N 3.25Å; S154-I156 VanDerWaalsContact C-N 3.35Å |
| 155 | E | 69 | Low | 64.8 | Low | 127 Ų | 127 | 67.4 Ų | 67.4 | 59% | 0.593 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -74.3 | -28.4 | -178 | -73.2 | -62.1 | 146.1 | 0 | 0 | 113.1 | A151 I152 L251 | A151-E155 WeakPolarHBondContact O-CG 3.11Å; A151-E155 PolarHBondContact O-N 3.44Å; I152-E155 PolarHBondContact O-N 3.22Å; E155-L251 HydrophobicContact CB-CD2 3.66Å; E155-L251 HydrophobicContact CG-CD2 4.34Å |
| 156 | I | 65.5 | Low | 63.1 | Low | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -92.9 | -12.7 | -176 | -69.1 | -164.5 | 0 | 0 | 0 | 112 | I152 S154 G158 K159 Y177 T248 L251 | I152-I156 HydrophobicContact CG2-CD1 3.31Å; I152-I156 HydrophobicContact CG2-CG1 3.93Å; I152-I156 WeakPolarHBondContact O-CB 3.28Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.43Å; I152-I156 PolarHBondContact O-N 3.41Å; S154-I156 VanDerWaalsContact C-N 3.35Å; I156-G158 PolarHBondContact O-N 2.94Å; I156-K159 PolarHBondContact O-N 3.33Å; I156-Y177 HydrophobicContact CG2-CD1 4.15Å; I156-Y177 HydrophobicContact CG2-CD2 3.64Å; I156-Y177 HydrophobicContact CG2-CG 3.33Å; I156-T248 HydrophobicContact CD1-CG2 3.84Å; I156-L251 HydrophobicContact CG1-CD2 4.12Å |
| 157 | R | 60.1 | Low | 61.9 | Low | 199 Ų | 199 | 79.8 Ų | 79.8 | 75% | 0.751 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 106.2 | 177.8 | -151 | 176.4 | -152.5 | -154.3 | 5.5 | 111 | M153 | M153-R157 WeakPolarHBondContact O-CB 3.32Å; M153-R157 PolarHBondContact O-N 2.88Å |
| 158 | G | 55.8 | Low | 60.8 | Low | 77 Ų | 77 | 79 Ų | 79 | 79% | 0.794 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.3 | -5.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I156 | I156-G158 PolarHBondContact O-N 2.94Š|
| 159 | K | 60.8 | Low | 59.7 | Low | 100 Ų | 100 | 78.4 Ų | 78.4 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 127.5 | 167 | -69.4 | -174.7 | 179.5 | -177.9 | 0 | 109.7 | I156 Y177 | I156-K159 PolarHBondContact O-N 3.33Å; K159-Y177 HydrophobicContact CB-CD2 3.8Å; K159-Y177 HydrophobicContact CB-CE2 3.91Å; K159-Y177 WeakPolarHBondContact O-CD2 3.37Å |
| 160 | S | 55.7 | Low | 58.8 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 62% | 0.622 | 46% | 0.457 | S | S | * | . | B | Isolated β-bridge | trans | -82.9 | 141.7 | 170.5 | 50.7 | 0 | 0 | 0 | 0 | 110 | E162 | S160-E162 PolarHBondContact O-N 3.24Å |
| 161 | I | 58.7 | Low | 57.8 | Low | 16 Ų | 16 | 80.2 Ų | 80.2 | 8% | 0.082 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 119.2 | 169.8 | -64.2 | 172.9 | 0 | 0 | 0 | 107.8 | S163 I175 Y177 | I161-S163 PolarHBondContact O-N 2.84Å; I161-I175 HydrophobicContact CD1-CB 4.07Å; I161-I175 HydrophobicContact CD1-CG2 4.15Å; I161-I175 VanDerWaalsContact CD1-O 3.28Å; I161-I175 WeakPolarHBondContact CD1-O 3.41Å; I161-I175 VanDerWaalsContact CG1-O 3.24Å; I161-I175 WeakPolarHBondContact CG1-O 3.28Å; I161-Y177 HydrophobicContact CD1-CD1 4.28Å; I161-Y177 HydrophobicContact CD1-CE1 4.24Å; I161-Y177 HydrophobicContact CG1-CD1 3.89Å; I161-Y177 HydrophobicContact CG1-CD2 4.45Å; I161-Y177 HydrophobicContact CG1-CE1 3.61Å; I161-Y177 HydrophobicContact CG1-CE2 4.26Å; I161-Y177 HydrophobicContact CG1-CG 4.26Å |
| 162 | E | 52.4 | Low | 56.8 | Low | 150 Ų | 150 | 80.1 Ų | 80.1 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | trans | -66.9 | 104.4 | 168 | -73.1 | -156.7 | 155.9 | 0 | 0 | 108.5 | S160 S164 | S160-E162 PolarHBondContact O-N 3.24Å; E162-S164 PolarHBondContact O-N 3.02Å | ||
| 163 | S | 48.1 | Very low | 55.3 | Low | 72 Ų | 72 | 82.3 Ų | 82.3 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -69.9 | 117.5 | 179.2 | 60.1 | 0 | 0 | 0 | 0 | 109.6 | I161 | I161-S163 PolarHBondContact O-N 2.84Š| ||
| 164 | S | 54.5 | Low | 54.4 | Low | 44 Ų | 44 | 83.4 Ų | 83.4 | 31% | 0.308 | 50% | 0.504 | S | S | . | . | trans | -128.3 | 116 | 177 | -89 | 0 | 0 | 0 | 0 | 110.3 | E162 M166 Y167 T169 | E162-S164 PolarHBondContact O-N 3.02Å; S164-M166 PolarHBondContact O-N 3.08Å; S164-M166 VanDerWaalsContact O-N 3.15Å; S164-Y167 VanDerWaalsContact CB-CD2 3.5Å; S164-Y167 PolarHBondContact O-N 3.23Å; S164-T169 PolarHBondContact N-OG1 3.25Å; S164-T169 PolarHBondContact O-OG1 2.71Å | ||
| 165 | C | 47.8 | Very low | 53.7 | Low | 103 Ų | 103 | 83.3 Ų | 83.3 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -55.7 | -32.4 | -179.3 | -170.1 | 0 | 0 | 0 | 0 | 112.7 | Y167 G168 C170 | C165-Y167 VanDerWaalsContact C-N 3.26Å; C165-Y167 PolarHBondContact O-N 3.36Å; C165-G168 PolarHBondContact O-N 3Å; C165-C170 HydrophobicContact CB-CB 4.4Å |
| 166 | M | 45.1 | Very low | 53 | Low | 179 Ų | 179 | 80.9 Ų | 80.9 | 88% | 0.882 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -64.4 | -23.6 | 176.7 | -76.9 | -149 | 72.3 | 0 | 0 | 114.9 | S164 | S164-M166 PolarHBondContact O-N 3.08Å; S164-M166 VanDerWaalsContact O-N 3.15Å |
| 167 | Y | 50.8 | Low | 52.9 | Low | 122 Ų | 122 | 81.9 Ų | 81.9 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -101.9 | 14 | -178.3 | -59.8 | -69.1 | 0 | 0 | 0 | 112.8 | S164 C165 T169 F242 | S164-Y167 VanDerWaalsContact CB-CD2 3.5Å; S164-Y167 PolarHBondContact O-N 3.23Å; C165-Y167 VanDerWaalsContact C-N 3.26Å; C165-Y167 PolarHBondContact O-N 3.36Å; Y167-T169 PolarHBondContact O-N 3.3Å; Y167-F242 HydrophobicContact CD1-CE1 4.37Å; Y167-F242 HydrophobicContact CD1-CZ 4.02Å |
| 168 | G | 52.4 | Low | 53.1 | Low | 37 Ų | 37 | 74.8 Ų | 74.8 | 38% | 0.381 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 15.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C165 C170 Y239 | C165-G168 PolarHBondContact O-N 3Å; G168-C170 VanDerWaalsContact C-N 3.3Å; G168-Y239 PolarHBondContact O-OH 3.25Å |
| 169 | T | 55.6 | Low | 53.8 | Low | 4 Ų | 4 | 73.8 Ų | 73.8 | 3% | 0.025 | 45% | 0.454 | C | S | . | . | trans | -90.9 | 9.8 | 177.3 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | S164 Y167 C171 L172 G173 L243 | S164-T169 PolarHBondContact N-OG1 3.25Å; S164-T169 PolarHBondContact O-OG1 2.71Å; Y167-T169 PolarHBondContact O-N 3.3Å; T169-C171 PolarHBondContact O-N 3.02Å; T169-L172 WeakPolarHBondContact O-CA 3.33Å; T169-L172 PolarHBondContact O-N 3.06Å; T169-G173 PolarHBondContact O-N 3.33Å; T169-L243 HydrophobicContact CG2-CD2 3.62Å | ||
| 170 | C | 53.4 | Low | 54.3 | Low | 78 Ų | 78 | 71.1 Ų | 71.1 | 53% | 0.527 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -57.1 | -29.1 | 176.5 | 42.3 | 0 | 0 | 0 | 0 | 113 | C165 G168 | C165-C170 HydrophobicContact CB-CB 4.4Å; G168-C170 VanDerWaalsContact C-N 3.3Å |
| 171 | C | 48.6 | Very low | 55.3 | Low | 120 Ų | 120 | 67.6 Ų | 67.6 | 81% | 0.811 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -87.5 | -7.6 | 174 | -56.1 | 0 | 0 | 0 | 0 | 114.1 | T169 | T169-C171 PolarHBondContact O-N 3.02Š|
| 172 | L | 50.6 | Low | 56.3 | Low | 29 Ų | 29 | 67.1 Ų | 67.1 | 15% | 0.152 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -103.7 | 11.5 | 179.3 | -74.5 | 99.1 | 0 | 0 | 0 | 113 | T169 G174 I175 Y239 L243 | T169-L172 WeakPolarHBondContact O-CA 3.33Å; T169-L172 PolarHBondContact O-N 3.06Å; L172-G174 PolarHBondContact O-N 3.16Å; L172-I175 HydrophobicContact CB-CD1 4.31Å; L172-I175 HydrophobicContact CD2-CD1 4.23Å; L172-I175 HydrophobicContact CG-CD1 4.21Å; L172-I175 PolarHBondContact O-N 3.38Å; L172-Y239 WeakPolarHBondContact CD1-OH 3.07Å; L172-L243 HydrophobicContact CD2-CD1 4.28Å |
| 173 | G | 40.2 | Very low | 57.6 | Low | 48 Ų | 48 | 62.2 Ų | 62.2 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 118.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T169 | T169-G173 PolarHBondContact O-N 3.33Š|
| 174 | G | 48.2 | Very low | 59.3 | Low | 75 Ų | 75 | 62.7 Ų | 62.7 | 77% | 0.773 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 1.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | L172 S176 | L172-G174 PolarHBondContact O-N 3.16Å; G174-S176 PolarHBondContact O-N 3.11Å |
| 175 | I | 53.7 | Low | 60.7 | Low | 77 Ų | 77 | 60.6 Ų | 60.6 | 40% | 0.395 | 38% | 0.379 | S | S | . | . | trans | -77 | 115 | 171.7 | -60.9 | 175.6 | 0 | 0 | 0 | 108.1 | I161 L172 | I161-I175 HydrophobicContact CD1-CB 4.07Å; I161-I175 HydrophobicContact CD1-CG2 4.15Å; I161-I175 VanDerWaalsContact CD1-O 3.28Å; I161-I175 WeakPolarHBondContact CD1-O 3.41Å; I161-I175 VanDerWaalsContact CG1-O 3.24Å; I161-I175 WeakPolarHBondContact CG1-O 3.28Å; L172-I175 HydrophobicContact CB-CD1 4.31Å; L172-I175 HydrophobicContact CD2-CD1 4.23Å; L172-I175 HydrophobicContact CG-CD1 4.21Å; L172-I175 PolarHBondContact O-N 3.38Å | ||
| 176 | S | 55.1 | Low | 62.5 | Low | 76 Ų | 76 | 56.4 Ų | 56.4 | 53% | 0.531 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 141.1 | 163.9 | -52.8 | 0 | 0 | 0 | 0 | 108.3 | G174 S178 | G174-S176 PolarHBondContact O-N 3.11Å; S176-S178 WeakPolarHBondContact O-CB 3.38Å; S176-S178 PolarHBondContact O-N 3.49Å |
| 177 | Y | 62.8 | Low | 64.5 | Low | 25 Ų | 25 | 50.6 Ų | 50.6 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | trans | -56.7 | 112.5 | 171 | -67 | -69.7 | 0 | 0 | 0 | 109.4 | I156 K159 I161 F181 A247 | I156-Y177 HydrophobicContact CG2-CD1 4.15Å; I156-Y177 HydrophobicContact CG2-CD2 3.64Å; I156-Y177 HydrophobicContact CG2-CG 3.33Å; K159-Y177 HydrophobicContact CB-CD2 3.8Å; K159-Y177 HydrophobicContact CB-CE2 3.91Å; K159-Y177 WeakPolarHBondContact O-CD2 3.37Å; I161-Y177 HydrophobicContact CD1-CD1 4.28Å; I161-Y177 HydrophobicContact CD1-CE1 4.24Å; I161-Y177 HydrophobicContact CG1-CD1 3.89Å; I161-Y177 HydrophobicContact CG1-CD2 4.45Å; I161-Y177 HydrophobicContact CG1-CE1 3.61Å; I161-Y177 HydrophobicContact CG1-CE2 4.26Å; I161-Y177 HydrophobicContact CG1-CG 4.26Å; Y177-F181 HydrophobicContact CD1-CD1 4.18Å; Y177-F181 HydrophobicContact CD1-CE1 4.15Å; Y177-F181 HydrophobicContact CE1-CE1 4.39Å; Y177-A247 HydrophobicContact CD1-CB 3.84Å; Y177-A247 HydrophobicContact CE1-CB 3.12Å; Y177-A247 WeakPolarHBondContact OH-CA 3.47Å | ||
| 178 | S | 65 | Low | 66.3 | Low | 50 Ų | 50 | 45 Ų | 45 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | trans | -130.1 | 161 | -170.4 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | S176 G180 F181 L182 | S176-S178 WeakPolarHBondContact O-CB 3.38Å; S176-S178 PolarHBondContact O-N 3.49Å; S178-G180 PolarHBondContact O-N 3.28Å; S178-F181 WeakPolarHBondContact O-CB 3.19Å; S178-F181 PolarHBondContact O-N 2.9Å; S178-L182 WeakPolarHBondContact O-CD1 3.4Å; S178-L182 PolarHBondContact O-N 3.33Å | ||
| 179 | I | 69.7 | Low | 68 | Low | 55 Ų | 55 | 43.3 Ų | 43.3 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -51.1 | -32.5 | 175.1 | -172.5 | 61.7 | 0 | 0 | 0 | 112.1 | M153 F181 R183 | M153-I179 HydrophobicContact CE-CB 3.93Å; M153-I179 HydrophobicContact CE-CG2 4.39Å; M153-I179 HydrophobicContact SD-CB 4.05Å; I179-F181 VanDerWaalsContact C-N 3.33Å; I179-F181 PolarHBondContact O-N 2.69Å; I179-R183 VanDerWaalsContact O-CB 3.24Å; I179-R183 WeakPolarHBondContact O-CB 3.48Å; I179-R183 PolarHBondContact O-N 3.32Å |
| 180 | G | 71.2 | Confident | 69.5 | Low | 44 Ų | 44 | 43.2 Ų | 43.2 | 45% | 0.454 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | S178 F184 | S178-G180 PolarHBondContact O-N 3.28Å; G180-F184 VanDerWaalsContact O-CB 3.32Å; G180-F184 WeakPolarHBondContact O-CB 3.34Å; G180-F184 PolarHBondContact O-N 3.18Å |
| 181 | F | 78.1 | Confident | 71.4 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.5 | -48.1 | 178.2 | 170.5 | -96 | 0 | 0 | 0 | 111.7 | Y177 S178 I179 R183 F184 C185 L243 A247 | Y177-F181 HydrophobicContact CD1-CD1 4.18Å; Y177-F181 HydrophobicContact CD1-CE1 4.15Å; Y177-F181 HydrophobicContact CE1-CE1 4.39Å; S178-F181 WeakPolarHBondContact O-CB 3.19Å; S178-F181 PolarHBondContact O-N 2.9Å; I179-F181 VanDerWaalsContact C-N 3.33Å; I179-F181 PolarHBondContact O-N 2.69Å; F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 2.95Å; F181-F184 WeakPolarHBondContact O-CB 3.11Å; F181-F184 PolarHBondContact O-N 3.4Å; F181-C185 PolarHBondContact O-N 3.42Å; F181-C185 PolarHBondContact O-SG 3.25Å; F181-L243 HydrophobicContact CE2-CB 3.94Å; F181-L243 HydrophobicContact CE2-CD1 4.24Å; F181-L243 HydrophobicContact CZ-CB 3.82Å; F181-A247 HydrophobicContact CE1-CB 3.79Å; F181-A247 HydrophobicContact CZ-CB 4.1Å |
| 182 | L | 78.4 | Confident | 73.3 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 176.7 | -74.6 | 81.1 | 0 | 0 | 0 | 110.2 | F143 I152 S178 C185 K186 | F143-L182 HydrophobicContact CE1-CB 4.15Å; F143-L182 HydrophobicContact CE1-CD2 3.62Å; F143-L182 HydrophobicContact CE1-CG 4.26Å; F143-L182 HydrophobicContact CZ-CB 4.11Å; F143-L182 HydrophobicContact CZ-CD2 4.27Å; F143-L182 HydrophobicContact CZ-CG 4.44Å; I152-L182 HydrophobicContact CB-CD2 3.96Å; I152-L182 HydrophobicContact CD1-CD2 4.22Å; I152-L182 HydrophobicContact CG2-CD2 3.48Å; I152-L182 VanDerWaalsContact CG2-CD2 3.48Å; I152-L182 HydrophobicContact CG2-CG 4.45Å; S178-L182 WeakPolarHBondContact O-CD1 3.4Å; S178-L182 PolarHBondContact O-N 3.33Å; L182-C185 PolarHBondContact O-N 3.28Å; L182-K186 PolarHBondContact O-N 3.04Å |
| 183 | R | 79.8 | Confident | 75.1 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.7 | -171.7 | 177.1 | -175 | 170.2 | 5.6 | 112.3 | I179 F181 C185 K186 Q187 N372 | I179-R183 VanDerWaalsContact O-CB 3.24Å; I179-R183 WeakPolarHBondContact O-CB 3.48Å; I179-R183 PolarHBondContact O-N 3.32Å; F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 2.95Å; R183-C185 VanDerWaalsContact C-N 3.28Å; R183-C185 PolarHBondContact O-N 3.38Å; R183-K186 PolarHBondContact O-N 2.88Å; R183-Q187 HydrophobicContact CG-CG 4.17Å; R183-Q187 VanDerWaalsContact NE-NE2 3.19Å; R183-Q187 VanDerWaalsContact O-CB 3.28Å; R183-Q187 WeakPolarHBondContact O-CB 3.35Å; R183-Q187 VanDerWaalsContact O-CG 3.24Å; R183-Q187 WeakPolarHBondContact O-CG 3.33Å; R183-Q187 PolarHBondContact O-N 3.03Å; R183-N372 PolarHBondContact NE-O 3.06Å; R183-N372 PolarHBondContact NH2-O 3.26Å |
| 184 | F | 84.4 | Confident | 77.4 | Confident | 83 Ų | 83 | 37 Ų | 37 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.7 | -44.1 | 174.3 | 170.3 | -97.7 | 0 | 0 | 0 | 111 | G180 F181 K186 Q187 A188 L236 A240 | G180-F184 VanDerWaalsContact O-CB 3.32Å; G180-F184 WeakPolarHBondContact O-CB 3.34Å; G180-F184 PolarHBondContact O-N 3.18Å; F181-F184 WeakPolarHBondContact O-CB 3.11Å; F181-F184 PolarHBondContact O-N 3.4Å; F184-K186 PolarHBondContact O-N 3.11Å; F184-Q187 PolarHBondContact O-N 3.41Å; F184-A188 VanDerWaalsContact O-CB 3.31Å; F184-A188 WeakPolarHBondContact O-CB 3.34Å; F184-A188 PolarHBondContact O-N 3.32Å; F184-L236 HydrophobicContact CZ-CD1 4.07Å; F184-A240 HydrophobicContact CE1-CB 4.41Å |
| 185 | C | 84.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | F181 L182 R183 A188 T189 A240 F244 | F181-C185 PolarHBondContact O-N 3.42Å; F181-C185 PolarHBondContact O-SG 3.25Å; L182-C185 PolarHBondContact O-N 3.28Å; R183-C185 VanDerWaalsContact C-N 3.28Å; R183-C185 PolarHBondContact O-N 3.38Å; C185-A188 PolarHBondContact O-N 3.34Å; C185-T189 PolarHBondContact O-N 3.17Å; C185-T189 VanDerWaalsContact O-N 3.1Å; C185-T189 PolarHBondContact O-OG1 3.36Å; C185-A240 HydrophobicContact CB-CB 4.37Å; C185-A240 PolarHBondContact SG-O 3.45Å; C185-F244 HydrophobicContact CB-CB 4.26Å |
| 186 | K | 85.9 | Confident | 81 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 177.6 | -163 | 163.9 | 176.4 | 176 | 0 | 112.1 | L139 E149 L182 R183 F184 T189 L190 D368 N372 | L139-K186 HydrophobicContact CD2-CB 4.41Å; E149-K186 IonicContact OE1-NZ 3.58Å; E149-K186 PolarHBondContact OE1-NZ 3.15Å; L182-K186 PolarHBondContact O-N 3.04Å; R183-K186 PolarHBondContact O-N 2.88Å; F184-K186 PolarHBondContact O-N 3.11Å; K186-T189 PolarHBondContact O-N 2.59Å; K186-L190 HydrophobicContact CG-CD1 3.91Å; K186-L190 VanDerWaalsContact O-CB 3.29Å; K186-L190 WeakPolarHBondContact O-CB 3.28Å; K186-L190 WeakPolarHBondContact O-CD1 3.41Å; K186-L190 WeakPolarHBondContact O-CG 3.45Å; K186-L190 PolarHBondContact O-N 3.34Å; K186-D368 VanDerWaalsContact CE-OD1 3.3Å; K186-D368 WeakPolarHBondContact CE-OD1 3.21Å; K186-D368 WeakPolarHBondContact CE-OD2 3.48Å; K186-D368 IonicContact NZ-OD1 2.85Å; K186-D368 PolarHBondContact NZ-OD1 2.75Å; K186-D368 IonicContact NZ-OD2 2.8Å; K186-D368 PolarHBondContact NZ-OD2 3.24Å; K186-N372 VanDerWaalsContact CD-ND2 3.3Å; K186-N372 WeakPolarHBondContact CD-ND2 3.42Å; K186-N372 WeakPolarHBondContact CE-ND2 3.36Å |
| 187 | Q | 86.9 | Confident | 82.5 | Confident | 57 Ų | 57 | 30.1 Ų | 30.1 | 27% | 0.266 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.5 | -43 | 176.5 | -76.6 | 176.3 | -19.6 | 0 | 0 | 112.5 | R183 F184 L190 Q191 N372 F373 | R183-Q187 HydrophobicContact CG-CG 4.17Å; R183-Q187 VanDerWaalsContact NE-NE2 3.19Å; R183-Q187 VanDerWaalsContact O-CB 3.28Å; R183-Q187 WeakPolarHBondContact O-CB 3.35Å; R183-Q187 VanDerWaalsContact O-CG 3.24Å; R183-Q187 WeakPolarHBondContact O-CG 3.33Å; R183-Q187 PolarHBondContact O-N 3.03Å; F184-Q187 PolarHBondContact O-N 3.41Å; Q187-L190 PolarHBondContact O-N 3.38Å; Q187-Q191 VanDerWaalsContact O-CB 3.22Å; Q187-Q191 WeakPolarHBondContact O-CB 3.22Å; Q187-Q191 PolarHBondContact O-N 3.42Å; Q187-N372 HydrophobicContact CG-CB 4.1Å; Q187-N372 PolarHBondContact NE2-O 2.84Å; Q187-F373 HydrophobicContact CB-CE1 4.34Å; Q187-F373 HydrophobicContact CB-CZ 4.17Å; Q187-F373 HydrophobicContact CG-CE1 4.18Å; Q187-F373 HydrophobicContact CG-CZ 4.25Å |
| 188 | A | 88.1 | Confident | 83.8 | Confident | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F184 C185 Q191 F192 L236 A240 | F184-A188 VanDerWaalsContact O-CB 3.31Å; F184-A188 WeakPolarHBondContact O-CB 3.34Å; F184-A188 PolarHBondContact O-N 3.32Å; C185-A188 PolarHBondContact O-N 3.34Å; A188-Q191 PolarHBondContact O-N 3.09Å; A188-F192 PolarHBondContact O-N 3.48Å; A188-L236 HydrophobicContact CB-CG 4.17Å; A188-A240 HydrophobicContact CB-CB 3.51Å |
| 189 | T | 87.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.3 | -41.7 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | I135 L139 C185 K186 Q191 F192 C193 | I135-T189 HydrophobicContact CB-CG2 4.48Å; I135-T189 HydrophobicContact CG2-CG2 3.74Å; L139-T189 HydrophobicContact CB-CG2 4.46Å; L139-T189 HydrophobicContact CD2-CG2 4.14Å; C185-T189 PolarHBondContact O-N 3.17Å; C185-T189 VanDerWaalsContact O-N 3.1Å; C185-T189 PolarHBondContact O-OG1 3.36Å; K186-T189 PolarHBondContact O-N 2.59Å; T189-Q191 VanDerWaalsContact C-N 3.32Å; T189-Q191 PolarHBondContact O-N 3.47Å; T189-F192 PolarHBondContact O-N 3.21Å; T189-C193 PolarHBondContact O-N 3.44Å; T189-C193 VanDerWaalsContact O-N 3.14Å; T189-C193 PolarHBondContact O-SG 2.9Å |
| 190 | L | 87.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 175.7 | -73.9 | 166.2 | 0 | 0 | 0 | 112 | Y136 K186 Q187 F192 C193 V194 M365 D368 A369 N372 F373 | Y136-L190 HydrophobicContact CD2-CD2 3.69Å; Y136-L190 HydrophobicContact CD2-CG 4.34Å; Y136-L190 HydrophobicContact CE2-CD2 3.73Å; Y136-L190 HydrophobicContact CE2-CG 4.49Å; K186-L190 HydrophobicContact CG-CD1 3.91Å; K186-L190 VanDerWaalsContact O-CB 3.29Å; K186-L190 WeakPolarHBondContact O-CB 3.28Å; K186-L190 WeakPolarHBondContact O-CD1 3.41Å; K186-L190 WeakPolarHBondContact O-CG 3.45Å; K186-L190 PolarHBondContact O-N 3.34Å; Q187-L190 PolarHBondContact O-N 3.38Å; L190-F192 VanDerWaalsContact C-N 3.31Å; L190-F192 PolarHBondContact O-N 3.15Å; L190-C193 WeakPolarHBondContact O-CB 3.41Å; L190-C193 PolarHBondContact O-N 2.9Å; L190-V194 WeakPolarHBondContact O-CG2 3.48Å; L190-V194 PolarHBondContact O-N 3.21Å; L190-V194 VanDerWaalsContact O-N 3.09Å; L190-M365 HydrophobicContact CD2-CG 3.95Å; L190-D368 HydrophobicContact CD1-CB 4.35Å; L190-A369 HydrophobicContact CD2-CB 4.35Å; L190-N372 HydrophobicContact CD1-CB 4.16Å; L190-F373 HydrophobicContact CB-CE2 3.84Å; L190-F373 HydrophobicContact CB-CZ 4.43Å; L190-F373 HydrophobicContact CD1-CE2 4.42Å |
| 191 | Q | 91.9 | Very high | 86.4 | Confident | 59 Ų | 59 | 32 Ų | 32 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 173.7 | 176.7 | -84 | -19.7 | 0 | 0 | 110.6 | Q187 A188 T189 C193 V194 V195 S233 | Q187-Q191 VanDerWaalsContact O-CB 3.22Å; Q187-Q191 WeakPolarHBondContact O-CB 3.22Å; Q187-Q191 PolarHBondContact O-N 3.42Å; A188-Q191 PolarHBondContact O-N 3.09Å; T189-Q191 VanDerWaalsContact C-N 3.32Å; T189-Q191 PolarHBondContact O-N 3.47Å; Q191-C193 PolarHBondContact O-N 3.44Å; Q191-V194 PolarHBondContact O-N 2.91Å; Q191-V195 HydrophobicContact CG-CG2 4.32Å; Q191-V195 WeakPolarHBondContact O-CB 3.4Å; Q191-V195 WeakPolarHBondContact O-CG2 3.42Å; Q191-V195 PolarHBondContact O-N 3.16Å; Q191-S233 VanDerWaalsContact CD-OG 3.29Å; Q191-S233 PolarHBondContact NE2-OG 3.46Å; Q191-S233 PolarHBondContact OE1-OG 3.32Å |
| 192 | F | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.5 | -179.6 | -116.2 | 0 | 0 | 0 | 112.5 | A132 I135 A188 T189 L190 V194 V195 K196 Y230 V234 A237 | A132-F192 HydrophobicContact CB-CD1 3.53Å; A132-F192 HydrophobicContact CB-CE1 3.51Å; A132-F192 HydrophobicContact CB-CG 4.37Å; A132-F192 HydrophobicContact CB-CZ 4.33Å; I135-F192 HydrophobicContact CD1-CD1 4.02Å; I135-F192 HydrophobicContact CD1-CE1 3.61Å; A188-F192 PolarHBondContact O-N 3.48Å; T189-F192 PolarHBondContact O-N 3.21Å; L190-F192 VanDerWaalsContact C-N 3.31Å; L190-F192 PolarHBondContact O-N 3.15Å; F192-V194 PolarHBondContact O-N 3.22Å; F192-V195 PolarHBondContact O-N 3.04Å; F192-K196 HydrophobicContact CE1-CD 4.07Å; F192-K196 HydrophobicContact CE2-CD 3.76Å; F192-K196 HydrophobicContact CZ-CD 3.43Å; F192-K196 VanDerWaalsContact CZ-CD 3.43Å; F192-K196 WeakPolarHBondContact O-CB 3.4Å; F192-K196 PolarHBondContact O-N 3.18Å; F192-Y230 HydrophobicContact CE2-CD2 4.21Å; F192-Y230 AromaticContact CE2-CE2 3.94Å; F192-Y230 HydrophobicContact CE2-CE2 3.94Å; F192-Y230 HydrophobicContact CZ-CE2 4.13Å; F192-V234 HydrophobicContact CD2-CB 4.23Å; F192-V234 HydrophobicContact CE1-CG2 4.32Å; F192-V234 HydrophobicContact CE2-CB 3.54Å; F192-V234 HydrophobicContact CE2-CG2 3.82Å; F192-V234 HydrophobicContact CZ-CB 3.89Å; F192-V234 HydrophobicContact CZ-CG2 3.6Å; F192-A237 HydrophobicContact CB-CB 3.62Å; F192-A237 HydrophobicContact CD1-CB 4.3Å; F192-A237 HydrophobicContact CG-CB 3.99Å |
| 193 | C | 88.4 | Confident | 87.1 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -28.7 | 176.5 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | A132 Y136 T189 L190 Q191 P197 M365 | A132-C193 PolarHBondContact O-SG 3.38Å; Y136-C193 WeakPolarHBondContact CB-SG 3.35Å; T189-C193 PolarHBondContact O-N 3.44Å; T189-C193 VanDerWaalsContact O-N 3.14Å; T189-C193 PolarHBondContact O-SG 2.9Å; L190-C193 WeakPolarHBondContact O-CB 3.41Å; L190-C193 PolarHBondContact O-N 2.9Å; Q191-C193 PolarHBondContact O-N 3.44Å; C193-P197 WeakPolarHBondContact O-CD 3.33Å; C193-P197 WeakPolarHBondContact O-CG 3.29Å; C193-M365 HydrophobicContact CB-SD 4Å |
| 194 | V | 89.2 | Confident | 87.3 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -88.3 | -41.6 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L190 Q191 F192 K196 P197 I198 | L190-V194 WeakPolarHBondContact O-CG2 3.48Å; L190-V194 PolarHBondContact O-N 3.21Å; L190-V194 VanDerWaalsContact O-N 3.09Å; Q191-V194 PolarHBondContact O-N 2.91Å; F192-V194 PolarHBondContact O-N 3.22Å; V194-K196 PolarHBondContact O-N 3.43Å; V194-P197 WeakPolarHBondContact O-CD 3.49Å; V194-I198 HydrophobicContact CG1-CD1 3.72Å; V194-I198 WeakPolarHBondContact O-CD1 3.48Å; V194-I198 VanDerWaalsContact O-CG1 3.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.34Å; V194-I198 PolarHBondContact O-N 3.32Å |
| 195 | V | 89.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | -178.6 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | Q191 F192 I198 M199 I229 | Q191-V195 HydrophobicContact CG-CG2 4.32Å; Q191-V195 WeakPolarHBondContact O-CB 3.4Å; Q191-V195 WeakPolarHBondContact O-CG2 3.42Å; Q191-V195 PolarHBondContact O-N 3.16Å; F192-V195 PolarHBondContact O-N 3.04Å; V195-I198 PolarHBondContact O-N 2.98Å; V195-M199 HydrophobicContact CG1-CE 4.07Å; V195-M199 HydrophobicContact CG1-CG 3.83Å; V195-M199 VanDerWaalsContact O-CG 3.28Å; V195-M199 WeakPolarHBondContact O-CG 3.28Å; V195-M199 PolarHBondContact O-N 3.13Å; V195-I229 HydrophobicContact CG1-CG2 4.28Å |
| 196 | K | 86.9 | Confident | 87.3 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | -174 | -157 | 154.1 | -173 | -155.3 | 0 | 113.5 | D128 E131 A132 F192 V194 I198 M199 A200 Y230 | D128-K196 HydrophobicContact CB-CD 4.47Å; D128-K196 HydrophobicContact CB-CG 4.42Å; D128-K196 WeakPolarHBondContact O-CD 3.34Å; D128-K196 WeakPolarHBondContact O-CE 3.3Å; D128-K196 PolarHBondContact O-NZ 2.62Å; D128-K196 VanDerWaalsContact OD1-CE 3.32Å; D128-K196 WeakPolarHBondContact OD1-CE 3.17Å; D128-K196 IonicContact OD1-NZ 2.73Å; D128-K196 PolarHBondContact OD1-NZ 2.96Å; E131-K196 IonicContact OE1-NZ 2.59Å; E131-K196 PolarHBondContact OE1-NZ 2.72Å; E131-K196 IonicContact OE2-NZ 3.98Å; E131-K196 PolarHBondContact OE2-NZ 2.84Å; A132-K196 HydrophobicContact CB-CB 4.08Å; A132-K196 HydrophobicContact CB-CD 4.08Å; F192-K196 HydrophobicContact CE1-CD 4.07Å; F192-K196 HydrophobicContact CE2-CD 3.76Å; F192-K196 HydrophobicContact CZ-CD 3.43Å; F192-K196 VanDerWaalsContact CZ-CD 3.43Å; F192-K196 WeakPolarHBondContact O-CB 3.4Å; F192-K196 PolarHBondContact O-N 3.18Å; V194-K196 PolarHBondContact O-N 3.43Å; K196-I198 VanDerWaalsContact C-N 3.34Å; K196-I198 PolarHBondContact O-N 2.97Å; K196-M199 PolarHBondContact O-N 3.2Å; K196-A200 PolarHBondContact O-N 3.42Å; K196-Y230 HydrophobicContact CD-CE2 4.13Å; K196-Y230 VanDerWaalsContact CE-CE2 3.48Å |
| 197 | P | 87.8 | Confident | 87 | Confident | 50 Ų | 50 | 38.1 Ų | 38.1 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 171.9 | -24.4 | 34.5 | 0 | 0 | 0 | 113.8 | C193 V194 M199 A200 V201 | C193-P197 WeakPolarHBondContact O-CD 3.33Å; C193-P197 WeakPolarHBondContact O-CG 3.29Å; V194-P197 WeakPolarHBondContact O-CD 3.49Å; P197-M199 VanDerWaalsContact C-N 3.35Å; P197-A200 PolarHBondContact O-N 3.49Å; P197-V201 WeakPolarHBondContact O-CG2 3.39Å; P197-V201 PolarHBondContact O-N 3.25Å |
| 198 | I | 89.4 | Confident | 86.8 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 43% | 0.431 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 176.1 | -68.1 | 170.5 | 0 | 0 | 0 | 110.1 | V194 V195 K196 V201 I202 | V194-I198 HydrophobicContact CG1-CD1 3.72Å; V194-I198 WeakPolarHBondContact O-CD1 3.48Å; V194-I198 VanDerWaalsContact O-CG1 3.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.34Å; V194-I198 PolarHBondContact O-N 3.32Å; V195-I198 PolarHBondContact O-N 2.98Å; K196-I198 VanDerWaalsContact C-N 3.34Å; K196-I198 PolarHBondContact O-N 2.97Å; I198-V201 PolarHBondContact O-N 3.03Å; I198-I202 HydrophobicContact CG2-CD1 3.79Å; I198-I202 HydrophobicContact CG2-CG1 4.47Å; I198-I202 VanDerWaalsContact O-CG1 3.26Å; I198-I202 WeakPolarHBondContact O-CG1 3.3Å; I198-I202 PolarHBondContact O-N 3.23Å |
| 199 | M | 86.3 | Confident | 86.6 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 15% | 0.148 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.2 | -67.8 | -59.4 | 133.8 | 0 | 0 | 111.2 | V195 K196 P197 V201 I202 T203 I229 | V195-M199 HydrophobicContact CG1-CE 4.07Å; V195-M199 HydrophobicContact CG1-CG 3.83Å; V195-M199 VanDerWaalsContact O-CG 3.28Å; V195-M199 WeakPolarHBondContact O-CG 3.28Å; V195-M199 PolarHBondContact O-N 3.13Å; K196-M199 PolarHBondContact O-N 3.2Å; P197-M199 VanDerWaalsContact C-N 3.35Å; M199-V201 PolarHBondContact O-N 3.03Å; M199-I202 HydrophobicContact CE-CD1 4.18Å; M199-I202 PolarHBondContact O-N 3.24Å; M199-I202 HydrophobicContact SD-CD1 4.37Å; M199-T203 PolarHBondContact O-N 2.89Å; M199-T203 PolarHBondContact O-OG1 2.8Å; M199-I229 HydrophobicContact CE-CD1 4.4Å; M199-I229 HydrophobicContact CE-CG2 3.75Å; M199-I229 HydrophobicContact SD-CB 4.42Å; M199-I229 HydrophobicContact SD-CD1 4.47Å; M199-I229 HydrophobicContact SD-CG2 4.01Å |
| 200 | A | 85.6 | Confident | 86 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K196 P197 T203 I204 | K196-A200 PolarHBondContact O-N 3.42Å; P197-A200 PolarHBondContact O-N 3.49Å; A200-T203 WeakPolarHBondContact O-CB 3.35Å; A200-T203 PolarHBondContact O-N 3.39Å; A200-I204 WeakPolarHBondContact O-CG1 3.16Å; A200-I204 PolarHBondContact O-N 3.33Å |
| 201 | V | 87.9 | Confident | 85.5 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | P197 I198 M199 T203 I204 L205 | P197-V201 WeakPolarHBondContact O-CG2 3.39Å; P197-V201 PolarHBondContact O-N 3.25Å; I198-V201 PolarHBondContact O-N 3.03Å; M199-V201 PolarHBondContact O-N 3.03Å; V201-T203 VanDerWaalsContact C-N 3.34Å; V201-I204 PolarHBondContact O-N 2.89Å; V201-L205 HydrophobicContact CG1-CD1 4.18Å; V201-L205 WeakPolarHBondContact O-CG 3.35Å; V201-L205 PolarHBondContact O-N 3.26Å |
| 202 | I | 87.6 | Confident | 84.5 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.7 | -68.9 | 168.5 | 0 | 0 | 0 | 110.1 | I198 M199 I204 L205 L206 I226 | I198-I202 HydrophobicContact CG2-CD1 3.79Å; I198-I202 HydrophobicContact CG2-CG1 4.47Å; I198-I202 VanDerWaalsContact O-CG1 3.26Å; I198-I202 WeakPolarHBondContact O-CG1 3.3Å; I198-I202 PolarHBondContact O-N 3.23Å; M199-I202 HydrophobicContact CE-CD1 4.18Å; M199-I202 PolarHBondContact O-N 3.24Å; M199-I202 HydrophobicContact SD-CD1 4.37Å; I202-I204 PolarHBondContact O-N 3.12Å; I202-L205 PolarHBondContact O-N 3.23Å; I202-L206 HydrophobicContact CG2-CD1 3.82Å; I202-L206 HydrophobicContact CG2-CD2 4.22Å; I202-L206 WeakPolarHBondContact O-CB 3.48Å; I202-L206 WeakPolarHBondContact O-CD1 3.4Å; I202-L206 PolarHBondContact O-N 2.92Å; I202-I226 HydrophobicContact CG2-CD1 4.37Å |
| 203 | T | 83.8 | Confident | 83.4 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.2 | -51.1 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | V121 M199 A200 V201 L205 L206 Q207 Y212 | V121-T203 HydrophobicContact CG1-CG2 4.2Å; M199-T203 PolarHBondContact O-N 2.89Å; M199-T203 PolarHBondContact O-OG1 2.8Å; A200-T203 WeakPolarHBondContact O-CB 3.35Å; A200-T203 PolarHBondContact O-N 3.39Å; V201-T203 VanDerWaalsContact C-N 3.34Å; T203-L205 VanDerWaalsContact C-N 3.31Å; T203-L205 PolarHBondContact O-N 3.25Å; T203-L206 PolarHBondContact O-N 3.27Å; T203-Q207 WeakPolarHBondContact O-CB 3.09Å; T203-Q207 PolarHBondContact O-N 3.44Å; T203-Y212 HydrophobicContact CG2-CD1 4.02Å; T203-Y212 HydrophobicContact CG2-CD2 4.12Å; T203-Y212 HydrophobicContact CG2-CE1 3.6Å; T203-Y212 HydrophobicContact CG2-CE2 3.7Å; T203-Y212 HydrophobicContact CG2-CG 4.26Å; T203-Y212 VanDerWaalsContact CG2-CZ 3.44Å |
| 204 | I | 84.3 | Confident | 82.3 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 179.1 | -66.6 | 165.7 | 0 | 0 | 0 | 111.1 | Y122 A200 V201 I202 Q207 A208 | Y122-I204 HydrophobicContact CE1-CD1 4.48Å; Y122-I204 HydrophobicContact CE1-CG2 4.5Å; A200-I204 WeakPolarHBondContact O-CG1 3.16Å; A200-I204 PolarHBondContact O-N 3.33Å; V201-I204 PolarHBondContact O-N 2.89Å; I202-I204 PolarHBondContact O-N 3.12Å; I204-Q207 PolarHBondContact O-N 3.27Å; I204-A208 WeakPolarHBondContact O-CB 3.4Å; I204-A208 PolarHBondContact O-N 2.95Å |
| 205 | L | 86.1 | Confident | 81 | Confident | 92 Ų | 92 | 57.6 Ų | 57.6 | 48% | 0.482 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 177.3 | -71.5 | 175.2 | 0 | 0 | 0 | 112.1 | V201 I202 T203 Q207 A208 F209 | V201-L205 HydrophobicContact CG1-CD1 4.18Å; V201-L205 WeakPolarHBondContact O-CG 3.35Å; V201-L205 PolarHBondContact O-N 3.26Å; I202-L205 PolarHBondContact O-N 3.23Å; T203-L205 VanDerWaalsContact C-N 3.31Å; T203-L205 PolarHBondContact O-N 3.25Å; L205-Q207 VanDerWaalsContact C-N 3.28Å; L205-Q207 PolarHBondContact O-N 3.48Å; L205-A208 WeakPolarHBondContact O-CB 3.36Å; L205-A208 PolarHBondContact O-N 2.8Å; L205-F209 WeakPolarHBondContact O-CD2 3.33Å; L205-F209 PolarHBondContact O-N 3.49Å; L205-F209 VanDerWaalsContact O-N 3.12Å |
| 206 | L | 83.5 | Confident | 80 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 179.2 | -90.9 | 55.5 | 0 | 0 | 0 | 111.9 | I202 T203 F209 G210 K211 Y212 I226 | I202-L206 HydrophobicContact CG2-CD1 3.82Å; I202-L206 HydrophobicContact CG2-CD2 4.22Å; I202-L206 WeakPolarHBondContact O-CB 3.48Å; I202-L206 WeakPolarHBondContact O-CD1 3.4Å; I202-L206 PolarHBondContact O-N 2.92Å; T203-L206 PolarHBondContact O-N 3.27Å; L206-F209 PolarHBondContact O-N 3.25Å; L206-G210 PolarHBondContact O-N 2.89Å; L206-K211 PolarHBondContact O-N 3.41Å; L206-Y212 PolarHBondContact O-N 3.19Å; L206-I226 HydrophobicContact CD2-CD1 3.98Å |
| 207 | Q | 78.7 | Confident | 79 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 173 | -171 | 172.9 | 10.4 | 0 | 0 | 111.3 | V121 T203 I204 L205 F209 G210 Y212 | V121-Q207 VanDerWaalsContact CG1-OE1 3.28Å; T203-Q207 WeakPolarHBondContact O-CB 3.09Å; T203-Q207 PolarHBondContact O-N 3.44Å; I204-Q207 PolarHBondContact O-N 3.27Å; L205-Q207 VanDerWaalsContact C-N 3.28Å; L205-Q207 PolarHBondContact O-N 3.48Å; Q207-F209 PolarHBondContact O-N 3.42Å; Q207-G210 PolarHBondContact O-N 3.47Å; Q207-Y212 HydrophobicContact CB-CD1 4.36Å |
| 208 | A | 81.9 | Confident | 78.3 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 69% | 0.694 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.4 | -29.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I204 L205 | I204-A208 WeakPolarHBondContact O-CB 3.4Å; I204-A208 PolarHBondContact O-N 2.95Å; L205-A208 WeakPolarHBondContact O-CB 3.36Å; L205-A208 PolarHBondContact O-N 2.8Å |
| 209 | F | 84 | Confident | 77.6 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 70% | 0.697 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1 | 173.6 | -67.1 | -60.9 | 0 | 0 | 0 | 114.4 | L205 L206 Q207 K211 | L205-F209 WeakPolarHBondContact O-CD2 3.33Å; L205-F209 PolarHBondContact O-N 3.49Å; L205-F209 VanDerWaalsContact O-N 3.12Å; L206-F209 PolarHBondContact O-N 3.25Å; Q207-F209 PolarHBondContact O-N 3.42Å; F209-K211 HydrophobicContact CB-CG 4.44Å; F209-K211 PolarHBondContact O-N 3.41Å |
| 210 | G | 75.2 | Confident | 77 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 20.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L206 Q207 H213 | L206-G210 PolarHBondContact O-N 2.89Å; Q207-G210 PolarHBondContact O-N 3.47Å; G210-H213 PolarHBondContact O-CE1 3.38Å |
| 211 | K | 79 | Confident | 76.5 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | trans | -102.5 | 2.6 | -179.4 | -69.9 | -67.9 | -172.2 | 177.1 | 0 | 113.3 | L206 F209 G222 | L206-K211 PolarHBondContact O-N 3.41Å; F209-K211 HydrophobicContact CB-CG 4.44Å; F209-K211 PolarHBondContact O-N 3.41Å; K211-G222 PolarHBondContact O-N 2.99Å; K211-G222 VanDerWaalsContact O-N 3.13Å | ||
| 212 | Y | 71 | Confident | 76.1 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | trans | -122.2 | 121.2 | 176.2 | -174.1 | -91.1 | 0 | 0 | 0 | 109.2 | T203 L206 Q207 D214 Y223 I226 | T203-Y212 HydrophobicContact CG2-CD1 4.02Å; T203-Y212 HydrophobicContact CG2-CD2 4.12Å; T203-Y212 HydrophobicContact CG2-CE1 3.6Å; T203-Y212 HydrophobicContact CG2-CE2 3.7Å; T203-Y212 HydrophobicContact CG2-CG 4.26Å; T203-Y212 VanDerWaalsContact CG2-CZ 3.44Å; L206-Y212 PolarHBondContact O-N 3.19Å; Q207-Y212 HydrophobicContact CB-CD1 4.36Å; Y212-D214 VanDerWaalsContact CE1-CG 3.49Å; Y212-D214 WeakPolarHBondContact CE1-OD1 3.22Å; Y212-D214 WeakPolarHBondContact CE1-OD2 3.38Å; Y212-D214 VanDerWaalsContact CZ-OD1 3.23Å; Y212-D214 PolarHBondContact OH-OD1 3.26Å; Y212-Y223 AromaticContact CE2-CD2 3.84Å; Y212-Y223 HydrophobicContact CE2-CD2 3.84Å; Y212-Y223 HydrophobicContact CE2-CG 4.44Å; Y212-Y223 AromaticContact CZ-CD2 3.7Å; Y212-Y223 WeakPolarHBondContact OH-CD2 3.49Å; Y212-I226 HydrophobicContact CD2-CD1 3.81Å; Y212-I226 HydrophobicContact CE2-CD1 3.69Å | ||
| 213 | H | 66 | Low | 75.5 | Confident | 121 Ų | 121 | 64 Ų | 64 | 56% | 0.56 | 35% | 0.348 | S | S | * | . | trans | -130 | 123.3 | 169.1 | -66.6 | 87.4 | 0 | 0 | 0 | 106.2 | G210 D216 | G210-H213 PolarHBondContact O-CE1 3.38Å; H213-D216 HydrophobicContact CB-CB 4.1Å; H213-D216 PolarHBondContact O-N 2.86Å | ||
| 214 | D | 64.3 | Low | 75.4 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 136.6 | 176.7 | -76.8 | -58.6 | 0 | 0 | 0 | 110.2 | Y120 Y212 D216 Y223 | Y120-D214 WeakPolarHBondContact CE2-OD2 3.44Å; Y120-D214 PolarHBondContact OH-OD2 3.3Å; Y120-D214 VanDerWaalsContact OH-OD2 3.08Å; Y212-D214 VanDerWaalsContact CE1-CG 3.49Å; Y212-D214 WeakPolarHBondContact CE1-OD1 3.22Å; Y212-D214 WeakPolarHBondContact CE1-OD2 3.38Å; Y212-D214 VanDerWaalsContact CZ-OD1 3.23Å; Y212-D214 PolarHBondContact OH-OD1 3.26Å; D214-D216 VanDerWaalsContact C-N 3.28Å; D214-D216 PolarHBondContact O-N 3.09Å; D214-Y223 WeakPolarHBondContact OD1-CE2 3.28Å |
| 215 | G | 62.7 | Low | 75.4 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -11.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F217 E282 | G215-F217 VanDerWaalsContact O-CD2 3.28Å; G215-F217 WeakPolarHBondContact O-CD2 3.29Å; G215-F217 PolarHBondContact O-N 2.87Å; G215-E282 VanDerWaalsContact CA-OE2 3.28Å; G215-E282 WeakPolarHBondContact CA-OE2 3.45Å |
| 216 | D | 68.2 | Low | 75.2 | Confident | 62 Ų | 62 | 65 Ų | 65 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | trans | -87.2 | 99.7 | 177.6 | -170.9 | 12 | 0 | 0 | 0 | 112.5 | H213 D214 N218 Y223 | H213-D216 HydrophobicContact CB-CB 4.1Å; H213-D216 PolarHBondContact O-N 2.86Å; D214-D216 VanDerWaalsContact C-N 3.28Å; D214-D216 PolarHBondContact O-N 3.09Å; D216-N218 PolarHBondContact O-N 3.43Å; D216-N218 VanDerWaalsContact OD1-CB 3.25Å; D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 3.39Å; D216-Y223 WeakPolarHBondContact O-CB 3.4Å | ||
| 217 | F | 65.9 | Low | 75 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | trans | -85.3 | 24.6 | 173.6 | -50.4 | -116.5 | 0 | 0 | 0 | 114 | G215 V219 Y223 L224 A279 R283 | G215-F217 VanDerWaalsContact O-CD2 3.28Å; G215-F217 WeakPolarHBondContact O-CD2 3.29Å; G215-F217 PolarHBondContact O-N 2.87Å; F217-V219 PolarHBondContact O-N 3.44Å; F217-Y223 HydrophobicContact CD1-CE1 4.36Å; F217-Y223 HydrophobicContact CD2-CD1 4.37Å; F217-Y223 HydrophobicContact CD2-CE1 4.07Å; F217-Y223 HydrophobicContact CE1-CE1 4.04Å; F217-Y223 AromaticContact CE2-CE1 3.78Å; F217-Y223 HydrophobicContact CE2-CE1 3.78Å; F217-Y223 HydrophobicContact CG-CD1 4.4Å; F217-Y223 HydrophobicContact CG-CE1 4.38Å; F217-Y223 AromaticContact CZ-CE1 3.76Å; F217-Y223 HydrophobicContact CZ-CE1 3.76Å; F217-L224 HydrophobicContact CB-CD1 3.98Å; F217-L224 HydrophobicContact CD1-CD1 3.98Å; F217-A279 HydrophobicContact CE2-CB 4.44Å; F217-A279 HydrophobicContact CZ-CB 4.19Å; F217-R283 VanDerWaalsContact CA-NH2 3.27Å; F217-R283 VanDerWaalsContact CD2-NE 3.27Å; F217-R283 HydrophobicContact CE2-CG 4.45Å | ||
| 218 | N | 72.8 | Confident | 75.2 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | trans | -59.9 | 138.6 | 170.3 | -166.3 | -18.9 | 0 | 0 | 0 | 110.4 | D216 N220 G221 | D216-N218 PolarHBondContact O-N 3.43Å; D216-N218 VanDerWaalsContact OD1-CB 3.25Å; D216-N218 WeakPolarHBondContact OD1-CB 3.43Å; D216-N218 PolarHBondContact OD1-N 3.39Å; N218-N220 PolarHBondContact O-N 3.32Å; N218-N220 VanDerWaalsContact O-N 3.14Å; N218-N220 PolarHBondContact OD1-N 2.97Å; N218-G221 PolarHBondContact O-N 3.47Å | ||
| 219 | V | 74.9 | Confident | 75.5 | Confident | 88 Ų | 88 | 66.5 Ų | 66.5 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.3 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | F217 G221 Y225 | F217-V219 PolarHBondContact O-N 3.44Å; V219-G221 VanDerWaalsContact C-N 3.34Å; V219-Y225 WeakPolarHBondContact O-CE2 3.42Å; V219-Y225 PolarHBondContact O-OH 2.96Å |
| 220 | N | 72.9 | Confident | 75.4 | Confident | 138 Ų | 138 | 61 Ų | 61 | 74% | 0.738 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.2 | 177.3 | -68.9 | 30.6 | 0 | 0 | 0 | 113.6 | N218 | N218-N220 PolarHBondContact O-N 3.32Å; N218-N220 VanDerWaalsContact O-N 3.14Å; N218-N220 PolarHBondContact OD1-N 2.97Å |
| 221 | G | 74.8 | Confident | 75.8 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -98.5 | 150.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N218 V219 | N218-G221 PolarHBondContact O-N 3.47Å; V219-G221 VanDerWaalsContact C-N 3.34Å |
| 222 | G | 79.8 | Confident | 76.1 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73 | -25.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K211 L224 Y225 I226 | K211-G222 PolarHBondContact O-N 2.99Å; K211-G222 VanDerWaalsContact O-N 3.13Å; G222-L224 PolarHBondContact O-N 3Å; G222-Y225 PolarHBondContact O-N 3.45Å; G222-I226 WeakPolarHBondContact O-CG1 3.3Å; G222-I226 PolarHBondContact O-N 3.39Å; G222-I226 VanDerWaalsContact O-N 3.08Å |
| 223 | Y | 76.8 | Confident | 76.9 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 14% | 0.137 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -43.2 | -175.4 | 179.7 | -96.3 | 0 | 0 | 0 | 112.8 | Y212 D214 D216 F217 Y225 T227 | Y212-Y223 AromaticContact CE2-CD2 3.84Å; Y212-Y223 HydrophobicContact CE2-CD2 3.84Å; Y212-Y223 HydrophobicContact CE2-CG 4.44Å; Y212-Y223 AromaticContact CZ-CD2 3.7Å; Y212-Y223 WeakPolarHBondContact OH-CD2 3.49Å; D214-Y223 WeakPolarHBondContact OD1-CE2 3.28Å; D216-Y223 WeakPolarHBondContact O-CB 3.4Å; F217-Y223 HydrophobicContact CD1-CE1 4.36Å; F217-Y223 HydrophobicContact CD2-CD1 4.37Å; F217-Y223 HydrophobicContact CD2-CE1 4.07Å; F217-Y223 HydrophobicContact CE1-CE1 4.04Å; F217-Y223 AromaticContact CE2-CE1 3.78Å; F217-Y223 HydrophobicContact CE2-CE1 3.78Å; F217-Y223 HydrophobicContact CG-CD1 4.4Å; F217-Y223 HydrophobicContact CG-CE1 4.38Å; F217-Y223 AromaticContact CZ-CE1 3.76Å; F217-Y223 HydrophobicContact CZ-CE1 3.76Å; Y223-Y225 PolarHBondContact O-N 3.13Å; Y223-T227 VanDerWaalsContact O-CB 3.22Å; Y223-T227 WeakPolarHBondContact O-CB 3.44Å; Y223-T227 PolarHBondContact O-N 3.45Å; Y223-T227 PolarHBondContact O-OG1 3.15Å |
| 224 | L | 80.1 | Confident | 77.8 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.2 | -51 | 176.7 | 179.5 | 82.5 | 0 | 0 | 0 | 111.9 | F217 G222 T227 I228 | F217-L224 HydrophobicContact CB-CD1 3.98Å; F217-L224 HydrophobicContact CD1-CD1 3.98Å; G222-L224 PolarHBondContact O-N 3Å; L224-T227 PolarHBondContact O-N 3.49Å; L224-I228 HydrophobicContact CD1-CD1 4.27Å; L224-I228 HydrophobicContact CG-CD1 4.01Å; L224-I228 WeakPolarHBondContact O-CG1 3.08Å; L224-I228 PolarHBondContact O-N 3.14Å |
| 225 | Y | 84.8 | Confident | 78.7 | Confident | 126 Ų | 126 | 55 Ų | 55 | 49% | 0.494 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.9 | -44 | -175.7 | -66.2 | -77.2 | 0 | 0 | 0 | 111.9 | V219 G222 Y223 T227 I228 I229 | V219-Y225 WeakPolarHBondContact O-CE2 3.42Å; V219-Y225 PolarHBondContact O-OH 2.96Å; G222-Y225 PolarHBondContact O-N 3.45Å; Y223-Y225 PolarHBondContact O-N 3.13Å; Y225-T227 VanDerWaalsContact C-N 3.3Å; Y225-T227 PolarHBondContact O-N 2.73Å; Y225-I228 PolarHBondContact O-N 2.74Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.13Å; Y225-I229 PolarHBondContact O-N 2.84Å |
| 226 | I | 83 | Confident | 79.8 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.8 | -68.5 | 162.4 | 0 | 0 | 0 | 109.4 | I202 L206 Y212 G222 I228 I229 Y230 | I202-I226 HydrophobicContact CG2-CD1 4.37Å; L206-I226 HydrophobicContact CD2-CD1 3.98Å; Y212-I226 HydrophobicContact CD2-CD1 3.81Å; Y212-I226 HydrophobicContact CE2-CD1 3.69Å; G222-I226 WeakPolarHBondContact O-CG1 3.3Å; G222-I226 PolarHBondContact O-N 3.39Å; G222-I226 VanDerWaalsContact O-N 3.08Å; I226-I228 PolarHBondContact O-N 2.81Å; I226-I229 PolarHBondContact O-N 2.72Å; I226-Y230 WeakPolarHBondContact O-CB 2.99Å; I226-Y230 PolarHBondContact O-N 2.73Å |
| 227 | T | 78.4 | Confident | 80.6 | Confident | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 178.7 | -60.9 | 0 | 0 | 0 | 0 | 112 | Y223 L224 Y225 N231 | Y223-T227 VanDerWaalsContact O-CB 3.22Å; Y223-T227 WeakPolarHBondContact O-CB 3.44Å; Y223-T227 PolarHBondContact O-N 3.45Å; Y223-T227 PolarHBondContact O-OG1 3.15Å; L224-T227 PolarHBondContact O-N 3.49Å; Y225-T227 VanDerWaalsContact C-N 3.3Å; Y225-T227 PolarHBondContact O-N 2.73Å; T227-N231 WeakPolarHBondContact CG2-ND2 3.45Å; T227-N231 WeakPolarHBondContact O-CB 3.37Å; T227-N231 PolarHBondContact O-N 2.68Å; T227-N231 PolarHBondContact O-ND2 3.22Å |
| 228 | I | 83.1 | Confident | 81.3 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 43% | 0.431 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 178.9 | -70.1 | 167.9 | 0 | 0 | 0 | 111.2 | L224 Y225 I226 Y230 N231 I232 | L224-I228 HydrophobicContact CD1-CD1 4.27Å; L224-I228 HydrophobicContact CG-CD1 4.01Å; L224-I228 WeakPolarHBondContact O-CG1 3.08Å; L224-I228 PolarHBondContact O-N 3.14Å; Y225-I228 PolarHBondContact O-N 2.74Å; I226-I228 PolarHBondContact O-N 2.81Å; I228-Y230 VanDerWaalsContact C-N 3.3Å; I228-Y230 PolarHBondContact O-N 3.28Å; I228-N231 PolarHBondContact O-N 2.78Å; I228-I232 HydrophobicContact CG2-CD1 3.89Å; I228-I232 WeakPolarHBondContact O-CG1 3.32Å; I228-I232 PolarHBondContact O-N 2.93Å |
| 229 | I | 86.9 | Confident | 81.7 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | -179.7 | -66.9 | 166.8 | 0 | 0 | 0 | 110.1 | V195 M199 Y225 I226 I232 S233 | V195-I229 HydrophobicContact CG1-CG2 4.28Å; M199-I229 HydrophobicContact CE-CD1 4.4Å; M199-I229 HydrophobicContact CE-CG2 3.75Å; M199-I229 HydrophobicContact SD-CB 4.42Å; M199-I229 HydrophobicContact SD-CD1 4.47Å; M199-I229 HydrophobicContact SD-CG2 4.01Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.13Å; Y225-I229 PolarHBondContact O-N 2.84Å; I226-I229 PolarHBondContact O-N 2.72Å; I229-I232 PolarHBondContact O-N 2.9Å; I229-S233 WeakPolarHBondContact O-CB 3.33Å; I229-S233 PolarHBondContact O-N 3Å |
| 230 | Y | 83.4 | Confident | 82.1 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 18% | 0.176 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.8 | -52.8 | 175.1 | 168.6 | -114.8 | 0 | 0 | 0 | 111.7 | F192 K196 I226 I228 I232 S233 V234 F272 | F192-Y230 HydrophobicContact CE2-CD2 4.21Å; F192-Y230 AromaticContact CE2-CE2 3.94Å; F192-Y230 HydrophobicContact CE2-CE2 3.94Å; F192-Y230 HydrophobicContact CZ-CE2 4.13Å; K196-Y230 HydrophobicContact CD-CE2 4.13Å; K196-Y230 VanDerWaalsContact CE-CE2 3.48Å; I226-Y230 WeakPolarHBondContact O-CB 2.99Å; I226-Y230 PolarHBondContact O-N 2.73Å; I228-Y230 VanDerWaalsContact C-N 3.3Å; I228-Y230 PolarHBondContact O-N 3.28Å; Y230-I232 VanDerWaalsContact C-N 3.33Å; Y230-I232 PolarHBondContact O-N 3.11Å; Y230-S233 PolarHBondContact O-N 3.36Å; Y230-S233 VanDerWaalsContact O-N 3.16Å; Y230-V234 HydrophobicContact CE2-CB 4.17Å; Y230-V234 HydrophobicContact CE2-CG1 4.46Å; Y230-V234 WeakPolarHBondContact O-CG1 3.48Å; Y230-V234 PolarHBondContact O-N 3.11Å; Y230-F272 HydrophobicContact CE1-CD2 4.06Å; Y230-F272 HydrophobicContact CE1-CE2 4.05Å |
| 231 | N | 83.1 | Confident | 82.5 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | -178.9 | -88.3 | -78.6 | 0 | 0 | 0 | 112.7 | T227 I228 V234 S235 F272 | T227-N231 WeakPolarHBondContact CG2-ND2 3.45Å; T227-N231 WeakPolarHBondContact O-CB 3.37Å; T227-N231 PolarHBondContact O-N 2.68Å; T227-N231 PolarHBondContact O-ND2 3.22Å; I228-N231 PolarHBondContact O-N 2.78Å; N231-V234 WeakPolarHBondContact O-CG1 3.31Å; N231-S235 WeakPolarHBondContact O-CB 3.26Å; N231-S235 PolarHBondContact O-N 2.96Å; N231-S235 PolarHBondContact O-OG 3.26Å; N231-F272 VanDerWaalsContact OD1-CE2 3.3Å; N231-F272 WeakPolarHBondContact OD1-CE2 3.29Å; N231-F272 WeakPolarHBondContact OD1-CZ 3.36Å |
| 232 | I | 85.2 | Confident | 82.7 | Confident | 114 Ų | 114 | 44.4 Ų | 44.4 | 59% | 0.585 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.9 | -46.5 | 176.6 | -67.9 | 170.5 | 0 | 0 | 0 | 110.4 | I228 I229 Y230 S235 L236 | I228-I232 HydrophobicContact CG2-CD1 3.89Å; I228-I232 WeakPolarHBondContact O-CG1 3.32Å; I228-I232 PolarHBondContact O-N 2.93Å; I229-I232 PolarHBondContact O-N 2.9Å; Y230-I232 VanDerWaalsContact C-N 3.33Å; Y230-I232 PolarHBondContact O-N 3.11Å; I232-S235 PolarHBondContact O-N 3.19Å; I232-L236 WeakPolarHBondContact O-CB 3.26Å; I232-L236 PolarHBondContact O-N 3.21Å |
| 233 | S | 88.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | -176.8 | -167.2 | 0 | 0 | 0 | 0 | 112.1 | Q191 I229 Y230 L236 A237 | Q191-S233 VanDerWaalsContact CD-OG 3.29Å; Q191-S233 PolarHBondContact NE2-OG 3.46Å; Q191-S233 PolarHBondContact OE1-OG 3.32Å; I229-S233 WeakPolarHBondContact O-CB 3.33Å; I229-S233 PolarHBondContact O-N 3Å; Y230-S233 PolarHBondContact O-N 3.36Å; Y230-S233 VanDerWaalsContact O-N 3.16Å; S233-L236 PolarHBondContact O-N 3.2Å; S233-A237 PolarHBondContact O-N 3.33Å |
| 234 | V | 83.2 | Confident | 82.7 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 177.7 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | F192 Y230 N231 L236 A237 L238 | F192-V234 HydrophobicContact CD2-CB 4.23Å; F192-V234 HydrophobicContact CE1-CG2 4.32Å; F192-V234 HydrophobicContact CE2-CB 3.54Å; F192-V234 HydrophobicContact CE2-CG2 3.82Å; F192-V234 HydrophobicContact CZ-CB 3.89Å; F192-V234 HydrophobicContact CZ-CG2 3.6Å; Y230-V234 HydrophobicContact CE2-CB 4.17Å; Y230-V234 HydrophobicContact CE2-CG1 4.46Å; Y230-V234 WeakPolarHBondContact O-CG1 3.48Å; Y230-V234 PolarHBondContact O-N 3.11Å; N231-V234 WeakPolarHBondContact O-CG1 3.31Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 3.26Å; V234-A237 PolarHBondContact O-N 3Å; V234-L238 HydrophobicContact CG2-CD1 3.78Å; V234-L238 HydrophobicContact CG2-CG 4.21Å; V234-L238 WeakPolarHBondContact O-CB 3.36Å; V234-L238 VanDerWaalsContact O-CG 3.29Å; V234-L238 WeakPolarHBondContact O-CG 3.11Å; V234-L238 PolarHBondContact O-N 2.77Å |
| 235 | S | 83.4 | Confident | 82.6 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.2 | -64 | 0 | 0 | 0 | 0 | 111.6 | N231 I232 Y239 | N231-S235 WeakPolarHBondContact O-CB 3.26Å; N231-S235 PolarHBondContact O-N 2.96Å; N231-S235 PolarHBondContact O-OG 3.26Å; I232-S235 PolarHBondContact O-N 3.19Å; S235-Y239 WeakPolarHBondContact O-CB 3.05Å; S235-Y239 PolarHBondContact O-N 3.16Å |
| 236 | L | 85.6 | Confident | 82.2 | Confident | 67 Ų | 67 | 39.8 Ų | 39.8 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.9 | -178.2 | 65.2 | 0 | 0 | 0 | 111.7 | F184 A188 I232 S233 V234 Y239 A240 | F184-L236 HydrophobicContact CZ-CD1 4.07Å; A188-L236 HydrophobicContact CB-CG 4.17Å; I232-L236 WeakPolarHBondContact O-CB 3.26Å; I232-L236 PolarHBondContact O-N 3.21Å; S233-L236 PolarHBondContact O-N 3.2Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 3.26Å; L236-Y239 PolarHBondContact O-N 3.3Å; L236-A240 WeakPolarHBondContact O-CB 3.42Å; L236-A240 PolarHBondContact O-N 3.45Å |
| 237 | A | 85.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | F192 S233 V234 A240 L241 | F192-A237 HydrophobicContact CB-CB 3.62Å; F192-A237 HydrophobicContact CD1-CB 4.3Å; F192-A237 HydrophobicContact CG-CB 3.99Å; S233-A237 PolarHBondContact O-N 3.33Å; V234-A237 PolarHBondContact O-N 3Å; A237-A240 PolarHBondContact O-N 3.13Å; A237-L241 WeakPolarHBondContact O-CB 3.37Å; A237-L241 PolarHBondContact O-N 3.04Å |
| 238 | L | 81 | Confident | 81.4 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.8 | -34.8 | 177.2 | -69.6 | 173.5 | 0 | 0 | 0 | 112.2 | I135 V234 L241 F242 F269 | I135-L238 HydrophobicContact CD1-CD2 3.89Å; I135-L238 HydrophobicContact CD1-CG 4.49Å; V234-L238 HydrophobicContact CG2-CD1 3.78Å; V234-L238 HydrophobicContact CG2-CG 4.21Å; V234-L238 WeakPolarHBondContact O-CB 3.36Å; V234-L238 VanDerWaalsContact O-CG 3.29Å; V234-L238 WeakPolarHBondContact O-CG 3.11Å; V234-L238 PolarHBondContact O-N 2.77Å; L238-L241 PolarHBondContact O-N 3.44Å; L238-F242 VanDerWaalsContact O-CB 3.26Å; L238-F242 WeakPolarHBondContact O-CB 3.22Å; L238-F242 PolarHBondContact O-N 3.37Å; L238-F269 HydrophobicContact CD1-CD2 4.38Å; L238-F269 HydrophobicContact CD1-CE2 3.59Å; L238-F269 HydrophobicContact CD1-CZ 3.67Å; L238-F269 HydrophobicContact CD2-CE2 4.05Å; L238-F269 HydrophobicContact CG-CE2 4.29Å |
| 239 | Y | 81.3 | Confident | 81 | Confident | 68 Ų | 68 | 35.3 Ų | 35.3 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 173.3 | 179.3 | -112.1 | 0 | 0 | 0 | 111.4 | G168 L172 S235 L236 L241 F242 L243 | G168-Y239 PolarHBondContact O-OH 3.25Å; L172-Y239 WeakPolarHBondContact CD1-OH 3.07Å; S235-Y239 WeakPolarHBondContact O-CB 3.05Å; S235-Y239 PolarHBondContact O-N 3.16Å; L236-Y239 PolarHBondContact O-N 3.3Å; Y239-L241 VanDerWaalsContact C-N 3.35Å; Y239-L241 PolarHBondContact O-N 2.9Å; Y239-F242 PolarHBondContact O-N 2.92Å; Y239-L243 HydrophobicContact CD1-CD1 3.85Å; Y239-L243 HydrophobicContact CD1-CG 4.39Å; Y239-L243 HydrophobicContact CD2-CG 4.46Å; Y239-L243 HydrophobicContact CE1-CD1 3.32Å; Y239-L243 HydrophobicContact CE1-CG 4.03Å; Y239-L243 HydrophobicContact CE2-CD1 4.29Å; Y239-L243 HydrophobicContact CE2-CD2 4.22Å; Y239-L243 HydrophobicContact CE2-CG 4.1Å; Y239-L243 WeakPolarHBondContact O-CB 3.34Å; Y239-L243 WeakPolarHBondContact O-CG 3.31Å; Y239-L243 PolarHBondContact O-N 3.32Å |
| 240 | A | 83.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.1 | -46.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | F184 C185 A188 L236 A237 F242 L243 F244 | F184-A240 HydrophobicContact CE1-CB 4.41Å; C185-A240 HydrophobicContact CB-CB 4.37Å; C185-A240 PolarHBondContact SG-O 3.45Å; A188-A240 HydrophobicContact CB-CB 3.51Å; L236-A240 WeakPolarHBondContact O-CB 3.42Å; L236-A240 PolarHBondContact O-N 3.45Å; A237-A240 PolarHBondContact O-N 3.13Å; A240-F242 VanDerWaalsContact C-N 3.34Å; A240-F242 PolarHBondContact O-N 3.04Å; A240-L243 PolarHBondContact O-N 2.96Å; A240-F244 WeakPolarHBondContact O-CB 3.33Å; A240-F244 PolarHBondContact O-N 3.35Å |
| 241 | L | 81.1 | Confident | 79.7 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.7 | -174.9 | 71.9 | 0 | 0 | 0 | 111.9 | I135 F138 L139 A237 L238 Y239 F244 F245 F261 | I135-L241 HydrophobicContact CG2-CD2 4.33Å; F138-L241 HydrophobicContact CD1-CD1 3.66Å; F138-L241 HydrophobicContact CD1-CD2 3.72Å; F138-L241 HydrophobicContact CD1-CG 4.16Å; F138-L241 HydrophobicContact CE1-CD1 3.89Å; F138-L241 HydrophobicContact CE1-CD2 3.96Å; F138-L241 HydrophobicContact CE1-CG 4.19Å; L139-L241 HydrophobicContact CB-CD1 3.93Å; L139-L241 HydrophobicContact CD1-CD1 3.86Å; L139-L241 HydrophobicContact CG-CD1 4.48Å; A237-L241 WeakPolarHBondContact O-CB 3.37Å; A237-L241 PolarHBondContact O-N 3.04Å; L238-L241 PolarHBondContact O-N 3.44Å; Y239-L241 VanDerWaalsContact C-N 3.35Å; Y239-L241 PolarHBondContact O-N 2.9Å; L241-F244 PolarHBondContact O-N 3.37Å; L241-F245 WeakPolarHBondContact O-CB 3.32Å; L241-F245 PolarHBondContact O-N 3.15Å; L241-F261 HydrophobicContact CD2-CE2 4.13Å; L241-F261 HydrophobicContact CG-CE2 4.02Å |
| 242 | F | 78.6 | Confident | 79.1 | Confident | 52 Ų | 52 | 34.6 Ų | 34.6 | 23% | 0.228 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.6 | 174.7 | -101.1 | 0 | 0 | 0 | 112 | Y167 L238 Y239 A240 F244 F245 F246 F261 | Y167-F242 HydrophobicContact CD1-CE1 4.37Å; Y167-F242 HydrophobicContact CD1-CZ 4.02Å; L238-F242 VanDerWaalsContact O-CB 3.26Å; L238-F242 WeakPolarHBondContact O-CB 3.22Å; L238-F242 PolarHBondContact O-N 3.37Å; Y239-F242 PolarHBondContact O-N 2.92Å; A240-F242 VanDerWaalsContact C-N 3.34Å; A240-F242 PolarHBondContact O-N 3.04Å; F242-F244 VanDerWaalsContact C-N 3.35Å; F242-F245 PolarHBondContact O-N 2.84Å; F242-F246 WeakPolarHBondContact O-CB 3.49Å; F242-F246 PolarHBondContact O-N 2.91Å; F242-F261 HydrophobicContact CD2-CZ 4.5Å |
| 243 | L | 77.8 | Confident | 78.3 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.9 | -75.2 | 178.9 | 0 | 0 | 0 | 111.3 | T169 L172 F181 Y239 A240 F245 F246 A247 | T169-L243 HydrophobicContact CG2-CD2 3.62Å; L172-L243 HydrophobicContact CD2-CD1 4.28Å; F181-L243 HydrophobicContact CE2-CB 3.94Å; F181-L243 HydrophobicContact CE2-CD1 4.24Å; F181-L243 HydrophobicContact CZ-CB 3.82Å; Y239-L243 HydrophobicContact CD1-CD1 3.85Å; Y239-L243 HydrophobicContact CD1-CG 4.39Å; Y239-L243 HydrophobicContact CD2-CG 4.46Å; Y239-L243 HydrophobicContact CE1-CD1 3.32Å; Y239-L243 HydrophobicContact CE1-CG 4.03Å; Y239-L243 HydrophobicContact CE2-CD1 4.29Å; Y239-L243 HydrophobicContact CE2-CD2 4.22Å; Y239-L243 HydrophobicContact CE2-CG 4.1Å; Y239-L243 WeakPolarHBondContact O-CB 3.34Å; Y239-L243 WeakPolarHBondContact O-CG 3.31Å; Y239-L243 PolarHBondContact O-N 3.32Å; A240-L243 PolarHBondContact O-N 2.96Å; L243-F245 PolarHBondContact O-N 3.38Å; L243-F246 PolarHBondContact O-N 3.03Å; L243-A247 VanDerWaalsContact O-CB 3.31Å; L243-A247 WeakPolarHBondContact O-CB 3.47Å; L243-A247 PolarHBondContact O-N 3.23Å |
| 244 | F | 79.8 | Confident | 77.3 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 176.6 | 178.8 | -89.7 | 0 | 0 | 0 | 111.6 | L139 S142 F143 L146 I152 C185 A240 L241 F242 A247 T248 | L139-F244 HydrophobicContact CD1-CB 4.2Å; L139-F244 HydrophobicContact CD1-CD1 3.85Å; L139-F244 HydrophobicContact CD1-CD2 4.25Å; L139-F244 HydrophobicContact CD1-CE1 4.32Å; L139-F244 HydrophobicContact CD1-CG 3.81Å; S142-F244 VanDerWaalsContact CB-CE1 3.49Å; F143-F244 HydrophobicContact CD1-CE2 4.35Å; F143-F244 HydrophobicContact CD1-CZ 4.47Å; F143-F244 HydrophobicContact CD2-CE2 4.08Å; F143-F244 AromaticContact CD2-CZ 3.98Å; F143-F244 HydrophobicContact CD2-CZ 3.98Å; F143-F244 AromaticContact CE1-CE2 3.93Å; F143-F244 HydrophobicContact CE1-CE2 3.93Å; F143-F244 HydrophobicContact CE1-CZ 4.48Å; F143-F244 HydrophobicContact CE2-CD2 4.13Å; F143-F244 AromaticContact CE2-CE2 3.62Å; F143-F244 HydrophobicContact CE2-CE2 3.62Å; F143-F244 AromaticContact CE2-CZ 3.98Å; F143-F244 HydrophobicContact CE2-CZ 3.98Å; F143-F244 HydrophobicContact CG-CE2 4.41Å; F143-F244 HydrophobicContact CG-CZ 4.21Å; F143-F244 HydrophobicContact CZ-CD2 4.09Å; F143-F244 AromaticContact CZ-CE2 3.52Å; F143-F244 HydrophobicContact CZ-CE2 3.52Å; F143-F244 HydrophobicContact CZ-CZ 4.24Å; L146-F244 HydrophobicContact CD1-CE1 4.44Å; L146-F244 HydrophobicContact CD1-CZ 3.93Å; I152-F244 HydrophobicContact CD1-CZ 4.47Å; C185-F244 HydrophobicContact CB-CB 4.26Å; A240-F244 WeakPolarHBondContact O-CB 3.33Å; A240-F244 PolarHBondContact O-N 3.35Å; L241-F244 PolarHBondContact O-N 3.37Å; F242-F244 VanDerWaalsContact C-N 3.35Å; F244-A247 WeakPolarHBondContact O-CB 3.35Å; F244-A247 PolarHBondContact O-N 3.23Å; F244-T248 HydrophobicContact CD2-CG2 4.46Å; F244-T248 HydrophobicContact CE1-CG2 4.19Å; F244-T248 HydrophobicContact CE2-CG2 4.06Å; F244-T248 HydrophobicContact CZ-CG2 3.93Å; F244-T248 WeakPolarHBondContact O-CB 3.15Å; F244-T248 PolarHBondContact O-N 3.29Å; F244-T248 VanDerWaalsContact O-N 3.09Å; F244-T248 PolarHBondContact O-OG1 3.4Å |
| 245 | F | 76.8 | Confident | 76.4 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 178.3 | 178.3 | -95.7 | 0 | 0 | 0 | 111.7 | L241 F242 L243 A247 T248 S249 P257 V258 F261 | L241-F245 WeakPolarHBondContact O-CB 3.32Å; L241-F245 PolarHBondContact O-N 3.15Å; F242-F245 PolarHBondContact O-N 2.84Å; L243-F245 PolarHBondContact O-N 3.38Å; F245-A247 VanDerWaalsContact C-N 3.27Å; F245-A247 PolarHBondContact O-N 3.42Å; F245-T248 CarbonylContact O-C 3.18Å; F245-T248 PolarHBondContact O-N 2.97Å; F245-S249 WeakPolarHBondContact O-CA 3.49Å; F245-S249 VanDerWaalsContact O-CB 3.23Å; F245-S249 WeakPolarHBondContact O-CB 3.49Å; F245-S249 PolarHBondContact O-N 3.47Å; F245-P257 HydrophobicContact CE2-CB 3.93Å; F245-P257 HydrophobicContact CE2-CG 4.32Å; F245-V258 HydrophobicContact CZ-CB 4.37Å; F245-V258 HydrophobicContact CZ-CG2 3.87Å; F245-F261 HydrophobicContact CB-CD2 3.84Å; F245-F261 HydrophobicContact CB-CE2 3.53Å; F245-F261 HydrophobicContact CB-CZ 4.09Å; F245-F261 HydrophobicContact CD1-CD1 4.36Å; F245-F261 HydrophobicContact CD1-CD2 4.33Å; F245-F261 HydrophobicContact CD1-CE1 4.37Å; F245-F261 HydrophobicContact CD1-CE2 4.39Å; F245-F261 HydrophobicContact CD1-CG 4.36Å; F245-F261 HydrophobicContact CD1-CZ 4.42Å; F245-F261 HydrophobicContact CD2-CB 3.89Å; F245-F261 HydrophobicContact CD2-CD1 4.44Å; F245-F261 AromaticContact CD2-CD2 3.36Å; F245-F261 HydrophobicContact CD2-CD2 3.36Å; F245-F261 AromaticContact CD2-CE2 3.99Å; F245-F261 HydrophobicContact CD2-CE2 3.99Å; F245-F261 AromaticContact CD2-CG 3.67Å; F245-F261 HydrophobicContact CD2-CG 3.67Å; F245-F261 HydrophobicContact CE1-CD1 4.41Å; F245-F261 HydrophobicContact CE1-CG 4.47Å; F245-F261 HydrophobicContact CE2-CB 3.55Å; F245-F261 HydrophobicContact CE2-CD1 4.46Å; F245-F261 AromaticContact CE2-CD2 3.95Å; F245-F261 HydrophobicContact CE2-CD2 3.95Å; F245-F261 AromaticContact CE2-CG 3.77Å; F245-F261 HydrophobicContact CE2-CG 3.77Å; F245-F261 HydrophobicContact CG-CD1 4.38Å; F245-F261 AromaticContact CG-CD2 3.57Å; F245-F261 HydrophobicContact CG-CD2 3.57Å; F245-F261 HydrophobicContact CG-CE1 4.45Å; F245-F261 AromaticContact CG-CE2 3.72Å; F245-F261 HydrophobicContact CG-CE2 3.72Å; F245-F261 AromaticContact CG-CG 3.97Å; F245-F261 HydrophobicContact CG-CG 3.97Å; F245-F261 HydrophobicContact CG-CZ 4.17Å; F245-F261 HydrophobicContact CZ-CB 4.07Å; F245-F261 HydrophobicContact CZ-CD1 4.47Å; F245-F261 HydrophobicContact CZ-CG 4.19Å |
| 246 | F | 75.7 | Confident | 75.4 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 33% | 0.333 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 177.1 | -176 | -99.3 | 0 | 0 | 0 | 112 | F242 L243 T248 S249 | F242-F246 WeakPolarHBondContact O-CB 3.49Å; F242-F246 PolarHBondContact O-N 2.91Å; L243-F246 PolarHBondContact O-N 3.03Å; F246-T248 VanDerWaalsContact C-N 3.3Å; F246-T248 PolarHBondContact O-N 2.96Å; F246-S249 PolarHBondContact O-OG 3.19Å |
| 247 | A | 73.5 | Confident | 74.2 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y177 F181 L243 F244 F245 | Y177-A247 HydrophobicContact CD1-CB 3.84Å; Y177-A247 HydrophobicContact CE1-CB 3.12Å; Y177-A247 WeakPolarHBondContact OH-CA 3.47Å; F181-A247 HydrophobicContact CE1-CB 3.79Å; F181-A247 HydrophobicContact CZ-CB 4.1Å; L243-A247 VanDerWaalsContact O-CB 3.31Å; L243-A247 WeakPolarHBondContact O-CB 3.47Å; L243-A247 PolarHBondContact O-N 3.23Å; F244-A247 WeakPolarHBondContact O-CB 3.35Å; F244-A247 PolarHBondContact O-N 3.23Å; F245-A247 VanDerWaalsContact C-N 3.27Å; F245-A247 PolarHBondContact O-N 3.42Å |
| 248 | T | 72.5 | Confident | 73.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -113.9 | -2.1 | -167.2 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | L146 I156 F244 F245 F246 D250 L251 L252 | L146-T248 HydrophobicContact CD1-CG2 3.55Å; I156-T248 HydrophobicContact CD1-CG2 3.84Å; F244-T248 HydrophobicContact CD2-CG2 4.46Å; F244-T248 HydrophobicContact CE1-CG2 4.19Å; F244-T248 HydrophobicContact CE2-CG2 4.06Å; F244-T248 HydrophobicContact CZ-CG2 3.93Å; F244-T248 WeakPolarHBondContact O-CB 3.15Å; F244-T248 PolarHBondContact O-N 3.29Å; F244-T248 VanDerWaalsContact O-N 3.09Å; F244-T248 PolarHBondContact O-OG1 3.4Å; F245-T248 CarbonylContact O-C 3.18Å; F245-T248 PolarHBondContact O-N 2.97Å; F246-T248 VanDerWaalsContact C-N 3.3Å; F246-T248 PolarHBondContact O-N 2.96Å; T248-D250 PolarHBondContact O-N 3.34Å; T248-D250 VanDerWaalsContact O-N 3.17Å; T248-L251 PolarHBondContact O-N 3.44Å; T248-L252 WeakPolarHBondContact O-CB 2.86Å; T248-L252 PolarHBondContact O-N 2.86Å; T248-L252 VanDerWaalsContact OG1-CD1 3.23Å; T248-L252 WeakPolarHBondContact OG1-CD1 3.32Å |
| 249 | S | 74.6 | Confident | 72.2 | Confident | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -35.4 | -173.6 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | F245 F246 L252 R253 | F245-S249 WeakPolarHBondContact O-CA 3.49Å; F245-S249 VanDerWaalsContact O-CB 3.23Å; F245-S249 WeakPolarHBondContact O-CB 3.49Å; F245-S249 PolarHBondContact O-N 3.47Å; F246-S249 PolarHBondContact O-OG 3.19Å; S249-L252 PolarHBondContact O-N 2.87Å; S249-R253 PolarHBondContact O-N 3.21Å |
| 250 | D | 71.9 | Confident | 71.7 | Confident | 113 Ų | 113 | 54.1 Ų | 54.1 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.6 | -39.7 | 177.5 | -69.4 | -26.5 | 0 | 0 | 0 | 112.2 | T248 R253 | T248-D250 PolarHBondContact O-N 3.34Å; T248-D250 VanDerWaalsContact O-N 3.17Å; D250-R253 WeakPolarHBondContact O-CB 3.33Å |
| 251 | L | 70.8 | Confident | 71 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 19% | 0.194 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.9 | -33.8 | 178.5 | -74.3 | 70 | 0 | 0 | 0 | 110.8 | L146 E155 I156 T248 R253 P254 | L146-L251 HydrophobicContact CD2-CB 3.4Å; L146-L251 HydrophobicContact CD2-CD2 4.01Å; L146-L251 HydrophobicContact CD2-CG 4.38Å; E155-L251 HydrophobicContact CB-CD2 3.66Å; E155-L251 HydrophobicContact CG-CD2 4.34Å; I156-L251 HydrophobicContact CG1-CD2 4.12Å; T248-L251 PolarHBondContact O-N 3.44Å; L251-R253 VanDerWaalsContact C-N 3.33Å; L251-P254 VanDerWaalsContact O-CD 3.27Å; L251-P254 WeakPolarHBondContact O-CD 3.36Å |
| 252 | L | 70.6 | Confident | 70.3 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -80 | -11.8 | 178.3 | -82.2 | 151 | 0 | 0 | 0 | 113.2 | Y145 L146 T248 S249 P254 Y255 P257 | Y145-L252 HydrophobicContact CD2-CD2 4.05Å; Y145-L252 HydrophobicContact CG-CD2 4.43Å; L146-L252 HydrophobicContact CD1-CD1 4.29Å; L146-L252 HydrophobicContact CD1-CG 4.44Å; L146-L252 HydrophobicContact CD2-CG 3.9Å; L146-L252 HydrophobicContact CG-CD2 4.47Å; L146-L252 HydrophobicContact CG-CG 4.17Å; T248-L252 WeakPolarHBondContact O-CB 2.86Å; T248-L252 PolarHBondContact O-N 2.86Å; T248-L252 VanDerWaalsContact OG1-CD1 3.23Å; T248-L252 WeakPolarHBondContact OG1-CD1 3.32Å; S249-L252 PolarHBondContact O-N 2.87Å; L252-P254 VanDerWaalsContact C-N 3.29Å; L252-P254 WeakPolarHBondContact O-CD 3.28Å; L252-P254 VanDerWaalsContact O-N 3.13Å; L252-Y255 WeakPolarHBondContact O-CB 3.3Å; L252-Y255 PolarHBondContact O-N 3.11Å; L252-P257 HydrophobicContact CB-CB 3.61Å; L252-P257 HydrophobicContact CB-CG 3.59Å; L252-P257 HydrophobicContact CD2-CB 4.35Å; L252-P257 HydrophobicContact CG-CB 4.41Å; L252-P257 WeakPolarHBondContact O-CD 3.39Å; L252-P257 WeakPolarHBondContact O-CG 3.44Å |
| 253 | R | 68.6 | Low | 69.8 | Low | 195 Ų | 195 | 57.5 Ų | 57.5 | 74% | 0.736 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -48.6 | -37.3 | -176.3 | -167.6 | 175.5 | -179.1 | 179.8 | 0.6 | 115.1 | S249 D250 L251 Y255 E256 | S249-R253 PolarHBondContact O-N 3.21Å; D250-R253 WeakPolarHBondContact O-CB 3.33Å; L251-R253 VanDerWaalsContact C-N 3.33Å; R253-Y255 PolarHBondContact O-N 2.93Å; R253-E256 PolarHBondContact O-N 3.42Å |
| 254 | P | 66.9 | Low | 69.2 | Low | 103 Ų | 103 | 57.5 Ų | 57.5 | 67% | 0.669 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -62.1 | -19.1 | 175.7 | -22.2 | 34.5 | 0 | 0 | 0 | 114.3 | L251 L252 | L251-P254 VanDerWaalsContact O-CD 3.27Å; L251-P254 WeakPolarHBondContact O-CD 3.36Å; L252-P254 VanDerWaalsContact C-N 3.29Å; L252-P254 WeakPolarHBondContact O-CD 3.28Å; L252-P254 VanDerWaalsContact O-N 3.13Å |
| 255 | Y | 64.8 | Low | 68.7 | Low | 103 Ų | 103 | 60.7 Ų | 60.7 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -104.7 | 14.8 | -174.7 | -60.9 | -74.9 | 0 | 0 | 0 | 114.1 | L252 R253 K260 | L252-Y255 WeakPolarHBondContact O-CB 3.3Å; L252-Y255 PolarHBondContact O-N 3.11Å; R253-Y255 PolarHBondContact O-N 2.93Å; Y255-K260 WeakPolarHBondContact O-CE 3.49Å; Y255-K260 PolarHBondContact O-NZ 3.36Å |
| 256 | E | 62.8 | Low | 68.1 | Low | 146 Ų | 146 | 61.8 Ų | 61.8 | 68% | 0.682 | 31% | 0.311 | S | S | * | . | trans | 47.3 | 56.4 | -176.8 | -61 | -171.4 | 140.1 | 0 | 0 | 113.5 | R253 V258 L259 | R253-E256 PolarHBondContact O-N 3.42Å; E256-V258 VanDerWaalsContact C-N 3.32Å; E256-V258 PolarHBondContact O-N 3.26Å; E256-L259 PolarHBondContact O-N 2.87Å | ||
| 257 | P | 60.7 | Low | 67.7 | Low | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -76.8 | -24.1 | -163.2 | 36.4 | -39.6 | 0 | 0 | 0 | 111.9 | F245 L252 L259 K260 F261 | F245-P257 HydrophobicContact CE2-CB 3.93Å; F245-P257 HydrophobicContact CE2-CG 4.32Å; L252-P257 HydrophobicContact CB-CB 3.61Å; L252-P257 HydrophobicContact CB-CG 3.59Å; L252-P257 HydrophobicContact CD2-CB 4.35Å; L252-P257 HydrophobicContact CG-CB 4.41Å; L252-P257 WeakPolarHBondContact O-CD 3.39Å; L252-P257 WeakPolarHBondContact O-CG 3.44Å; P257-L259 VanDerWaalsContact C-N 3.34Å; P257-L259 PolarHBondContact O-N 3.43Å; P257-K260 PolarHBondContact O-N 2.88Å; P257-F261 WeakPolarHBondContact O-CB 3.29Å; P257-F261 PolarHBondContact O-N 3.11Å |
| 258 | V | 62.9 | Low | 67.6 | Low | 89 Ų | 89 | 58.7 Ų | 58.7 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | F245 E256 L262 | F245-V258 HydrophobicContact CZ-CB 4.37Å; F245-V258 HydrophobicContact CZ-CG2 3.87Å; E256-V258 VanDerWaalsContact C-N 3.32Å; E256-V258 PolarHBondContact O-N 3.26Å; V258-L262 WeakPolarHBondContact O-CB 3.22Å; V258-L262 PolarHBondContact O-N 2.67Å |
| 259 | L | 61.2 | Low | 67.2 | Low | 89 Ų | 89 | 61.6 Ų | 61.6 | 47% | 0.466 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.6 | -44.5 | -179 | -164.1 | 143.6 | 0 | 0 | 0 | 110.4 | E256 P257 L262 T263 A326 | E256-L259 PolarHBondContact O-N 2.87Å; P257-L259 VanDerWaalsContact C-N 3.34Å; P257-L259 PolarHBondContact O-N 3.43Å; L259-L262 PolarHBondContact O-N 2.71Å; L259-T263 WeakPolarHBondContact O-CB 3.39Å; L259-T263 PolarHBondContact O-N 2.94Å; L259-T263 PolarHBondContact O-OG1 3.22Å; L259-A326 HydrophobicContact CD2-CB 3.71Å |
| 260 | K | 71.8 | Confident | 66.9 | Low | 30 Ų | 30 | 63.9 Ų | 63.9 | 13% | 0.13 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.5 | -67.1 | 168.8 | 179.6 | 170.5 | 0 | 112.7 | Y255 P257 I264 A326 F327 | Y255-K260 WeakPolarHBondContact O-CE 3.49Å; Y255-K260 PolarHBondContact O-NZ 3.36Å; P257-K260 PolarHBondContact O-N 2.88Å; K260-I264 PolarHBondContact O-N 3.22Å; K260-I264 VanDerWaalsContact O-N 3.16Å; K260-A326 WeakPolarHBondContact CE-O 3.04Å; K260-A326 HydrophobicContact CG-CB 4.11Å; K260-A326 VanDerWaalsContact CG-O 3.28Å; K260-A326 WeakPolarHBondContact CG-O 3.08Å; K260-F327 HydrophobicContact CB-CE1 4.35Å; K260-F327 HydrophobicContact CB-CZ 4.1Å; K260-F327 HydrophobicContact CD-CD1 4.4Å; K260-F327 HydrophobicContact CD-CE1 3.99Å; K260-F327 HydrophobicContact CG-CD1 4.47Å; K260-F327 HydrophobicContact CG-CE1 4.04Å; K260-F327 HydrophobicContact CG-CZ 4.18Å |
| 261 | F | 67.1 | Low | 66.6 | Low | 15 Ų | 15 | 59.1 Ų | 59.1 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 177.8 | -178.4 | -89.7 | 0 | 0 | 0 | 111.3 | F138 L241 F242 F245 P257 T263 I264 K265 | F138-F261 AromaticContact CE1-CD2 3.38Å; F138-F261 HydrophobicContact CE1-CD2 3.38Å; F138-F261 AromaticContact CE1-CE2 3.91Å; F138-F261 HydrophobicContact CE1-CE2 3.91Å; F138-F261 HydrophobicContact CE1-CG 4.34Å; F138-F261 HydrophobicContact CZ-CB 3.88Å; F138-F261 AromaticContact CZ-CD2 3.49Å; F138-F261 HydrophobicContact CZ-CD2 3.49Å; F138-F261 VanDerWaalsContact CZ-CD2 3.49Å; F138-F261 HydrophobicContact CZ-CE2 4.44Å; F138-F261 HydrophobicContact CZ-CG 4.11Å; L241-F261 HydrophobicContact CD2-CE2 4.13Å; L241-F261 HydrophobicContact CG-CE2 4.02Å; F242-F261 HydrophobicContact CD2-CZ 4.5Å; F245-F261 HydrophobicContact CB-CD2 3.84Å; F245-F261 HydrophobicContact CB-CE2 3.53Å; F245-F261 HydrophobicContact CB-CZ 4.09Å; F245-F261 HydrophobicContact CD1-CD1 4.36Å; F245-F261 HydrophobicContact CD1-CD2 4.33Å; F245-F261 HydrophobicContact CD1-CE1 4.37Å; F245-F261 HydrophobicContact CD1-CE2 4.39Å; F245-F261 HydrophobicContact CD1-CG 4.36Å; F245-F261 HydrophobicContact CD1-CZ 4.42Å; F245-F261 HydrophobicContact CD2-CB 3.89Å; F245-F261 HydrophobicContact CD2-CD1 4.44Å; F245-F261 AromaticContact CD2-CD2 3.36Å; F245-F261 HydrophobicContact CD2-CD2 3.36Å; F245-F261 AromaticContact CD2-CE2 3.99Å; F245-F261 HydrophobicContact CD2-CE2 3.99Å; F245-F261 AromaticContact CD2-CG 3.67Å; F245-F261 HydrophobicContact CD2-CG 3.67Å; F245-F261 HydrophobicContact CE1-CD1 4.41Å; F245-F261 HydrophobicContact CE1-CG 4.47Å; F245-F261 HydrophobicContact CE2-CB 3.55Å; F245-F261 HydrophobicContact CE2-CD1 4.46Å; F245-F261 AromaticContact CE2-CD2 3.95Å; F245-F261 HydrophobicContact CE2-CD2 3.95Å; F245-F261 AromaticContact CE2-CG 3.77Å; F245-F261 HydrophobicContact CE2-CG 3.77Å; F245-F261 HydrophobicContact CG-CD1 4.38Å; F245-F261 AromaticContact CG-CD2 3.57Å; F245-F261 HydrophobicContact CG-CD2 3.57Å; F245-F261 HydrophobicContact CG-CE1 4.45Å; F245-F261 AromaticContact CG-CE2 3.72Å; F245-F261 HydrophobicContact CG-CE2 3.72Å; F245-F261 AromaticContact CG-CG 3.97Å; F245-F261 HydrophobicContact CG-CG 3.97Å; F245-F261 HydrophobicContact CG-CZ 4.17Å; F245-F261 HydrophobicContact CZ-CB 4.07Å; F245-F261 HydrophobicContact CZ-CD1 4.47Å; F245-F261 HydrophobicContact CZ-CG 4.19Å; P257-F261 WeakPolarHBondContact O-CB 3.29Å; P257-F261 PolarHBondContact O-N 3.11Å; F261-T263 PolarHBondContact O-N 3.43Å; F261-I264 PolarHBondContact O-N 3.18Å; F261-K265 HydrophobicContact CD1-CB 4.47Å; F261-K265 HydrophobicContact CD1-CD 4.22Å; F261-K265 HydrophobicContact CE1-CB 4.39Å; F261-K265 HydrophobicContact CE1-CD 3.47Å; F261-K265 VanDerWaalsContact CE1-CD 3.47Å; F261-K265 HydrophobicContact CZ-CD 3.98Å; F261-K265 WeakPolarHBondContact O-CB 3.14Å; F261-K265 PolarHBondContact O-N 3.36Å |
| 262 | L | 66.2 | Low | 66.4 | Low | 106 Ų | 106 | 59.5 Ų | 59.5 | 56% | 0.555 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.6 | -37.9 | -179.4 | -169.3 | 151.2 | 0 | 0 | 0 | 111.1 | V258 L259 S266 | V258-L262 WeakPolarHBondContact O-CB 3.22Å; V258-L262 PolarHBondContact O-N 2.67Å; L259-L262 PolarHBondContact O-N 2.71Å; L262-S266 WeakPolarHBondContact O-CA 3.22Å; L262-S266 WeakPolarHBondContact O-CB 3.33Å; L262-S266 PolarHBondContact O-N 3.21Å |
| 263 | T | 68 | Low | 66.2 | Low | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.08 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -50.6 | 176.1 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | L259 F261 S266 V267 A322 L323 A326 | L259-T263 WeakPolarHBondContact O-CB 3.39Å; L259-T263 PolarHBondContact O-N 2.94Å; L259-T263 PolarHBondContact O-OG1 3.22Å; F261-T263 PolarHBondContact O-N 3.43Å; T263-S266 PolarHBondContact O-N 3.46Å; T263-V267 VanDerWaalsContact O-CG2 3.26Å; T263-V267 WeakPolarHBondContact O-CG2 3.27Å; T263-V267 PolarHBondContact O-N 3.09Å; T263-V267 VanDerWaalsContact O-N 3.07Å; T263-A322 HydrophobicContact CG2-CB 3.72Å; T263-L323 HydrophobicContact CG2-CD2 3.78Å; T263-L323 HydrophobicContact CG2-CG 3.89Å; T263-A326 HydrophobicContact CG2-CB 4.42Å |
| 264 | I | 67.1 | Low | 66 | Low | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -45 | -179.9 | -66.5 | 164.1 | 0 | 0 | 0 | 111 | I96 V134 F138 K260 F261 S266 V267 I268 L323 F327 | I96-I264 HydrophobicContact CD1-CD1 4.09Å; I96-I264 HydrophobicContact CG2-CD1 3.7Å; I96-I264 HydrophobicContact CG2-CG1 3.91Å; V134-I264 HydrophobicContact CG1-CG2 4.12Å; F138-I264 HydrophobicContact CB-CD1 4.28Å; F138-I264 HydrophobicContact CD2-CD1 3.15Å; F138-I264 HydrophobicContact CD2-CG1 4.48Å; F138-I264 HydrophobicContact CE2-CD1 3.65Å; F138-I264 HydrophobicContact CG-CD1 3.85Å; F138-I264 HydrophobicContact CG-CG2 4.46Å; K260-I264 PolarHBondContact O-N 3.22Å; K260-I264 VanDerWaalsContact O-N 3.16Å; F261-I264 PolarHBondContact O-N 3.18Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 3.14Å; I264-V267 PolarHBondContact O-N 3.14Å; I264-I268 HydrophobicContact CG2-CD1 3.85Å; I264-I268 WeakPolarHBondContact O-CG1 3.16Å; I264-I268 PolarHBondContact O-N 2.97Å; I264-I268 VanDerWaalsContact O-N 3.11Å; I264-L323 HydrophobicContact CG1-CD2 4.24Å; I264-F327 HydrophobicContact CD1-CE2 3.83Å; I264-F327 HydrophobicContact CD1-CZ 3.67Å; I264-F327 HydrophobicContact CG1-CE2 4.27Å |
| 265 | K | 69.2 | Low | 66 | Low | 69 Ų | 69 | 54.7 Ų | 54.7 | 30% | 0.3 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 177.3 | -173.9 | 176.5 | 178.2 | -178.2 | 0 | 110.7 | F261 V267 I268 F269 | F261-K265 HydrophobicContact CD1-CB 4.47Å; F261-K265 HydrophobicContact CD1-CD 4.22Å; F261-K265 HydrophobicContact CE1-CB 4.39Å; F261-K265 HydrophobicContact CE1-CD 3.47Å; F261-K265 VanDerWaalsContact CE1-CD 3.47Å; F261-K265 HydrophobicContact CZ-CD 3.98Å; F261-K265 WeakPolarHBondContact O-CB 3.14Å; F261-K265 PolarHBondContact O-N 3.36Å; K265-V267 VanDerWaalsContact C-N 3.33Å; K265-V267 PolarHBondContact O-N 3.16Å; K265-I268 PolarHBondContact O-N 2.94Å; K265-F269 HydrophobicContact CB-CD2 4.48Å; K265-F269 HydrophobicContact CD-CD2 4.26Å; K265-F269 HydrophobicContact CD-CE2 3.98Å; K265-F269 HydrophobicContact CG-CD2 3.33Å; K265-F269 HydrophobicContact CG-CE2 3.46Å; K265-F269 VanDerWaalsContact CG-CE2 3.46Å; K265-F269 HydrophobicContact CG-CG 4.35Å; K265-F269 VanDerWaalsContact O-CB 3.24Å; K265-F269 WeakPolarHBondContact O-CB 3.43Å; K265-F269 VanDerWaalsContact O-CD2 3.24Å; K265-F269 WeakPolarHBondContact O-CD2 3.4Å; K265-F269 PolarHBondContact O-N 3.19Å |
| 266 | S | 63.2 | Low | 66 | Low | 49 Ų | 49 | 52.5 Ų | 52.5 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 179.4 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | L262 T263 I264 L270 | L262-S266 WeakPolarHBondContact O-CA 3.22Å; L262-S266 WeakPolarHBondContact O-CB 3.33Å; L262-S266 PolarHBondContact O-N 3.21Å; T263-S266 PolarHBondContact O-N 3.46Å; I264-S266 VanDerWaalsContact C-N 3.33Å; I264-S266 PolarHBondContact O-N 3.14Å; S266-L270 VanDerWaalsContact O-CB 3.22Å; S266-L270 WeakPolarHBondContact O-CB 3.28Å; S266-L270 WeakPolarHBondContact O-CD1 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.41Å; S266-L270 PolarHBondContact O-N 3.02Å |
| 267 | V | 67.9 | Low | 66.3 | Low | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 177.9 | 170 | 0 | 0 | 0 | 0 | 110.9 | I99 T263 I264 K265 S271 M316 A319 | I99-V267 HydrophobicContact CD1-CG1 4.03Å; T263-V267 VanDerWaalsContact O-CG2 3.26Å; T263-V267 WeakPolarHBondContact O-CG2 3.27Å; T263-V267 PolarHBondContact O-N 3.09Å; T263-V267 VanDerWaalsContact O-N 3.07Å; I264-V267 PolarHBondContact O-N 3.14Å; K265-V267 VanDerWaalsContact C-N 3.33Å; K265-V267 PolarHBondContact O-N 3.16Å; V267-S271 PolarHBondContact O-N 3.45Å; V267-S271 PolarHBondContact O-OG 2.83Å; V267-M316 HydrophobicContact CG1-CE 4.01Å; V267-A319 HydrophobicContact CG2-CB 3.63Å |
| 268 | I | 69.9 | Low | 66.6 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.4 | -42 | -178.7 | -62.1 | 169.8 | 0 | 0 | 0 | 111.4 | I99 E131 V134 I135 I264 K265 F272 | I99-I268 HydrophobicContact CD1-CG1 4.33Å; E131-I268 HydrophobicContact CG-CG1 4.33Å; E131-I268 HydrophobicContact CG-CG2 3.78Å; V134-I268 HydrophobicContact CG1-CD1 4.22Å; I135-I268 HydrophobicContact CD1-CD1 4.35Å; I135-I268 HydrophobicContact CG1-CD1 3.69Å; I264-I268 HydrophobicContact CG2-CD1 3.85Å; I264-I268 WeakPolarHBondContact O-CG1 3.16Å; I264-I268 PolarHBondContact O-N 2.97Å; I264-I268 VanDerWaalsContact O-N 3.11Å; K265-I268 PolarHBondContact O-N 2.94Å; I268-F272 PolarHBondContact O-N 3.4Å; I268-F272 VanDerWaalsContact O-N 3.15Å |
| 269 | F | 65.3 | Low | 66.7 | Low | 62 Ų | 62 | 47.3 Ų | 47.3 | 27% | 0.272 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.2 | -38 | -179.7 | -91.4 | -98.3 | 0 | 0 | 0 | 112.7 | L238 K265 F272 W273 | L238-F269 HydrophobicContact CD1-CD2 4.38Å; L238-F269 HydrophobicContact CD1-CE2 3.59Å; L238-F269 HydrophobicContact CD1-CZ 3.67Å; L238-F269 HydrophobicContact CD2-CE2 4.05Å; L238-F269 HydrophobicContact CG-CE2 4.29Å; K265-F269 HydrophobicContact CB-CD2 4.48Å; K265-F269 HydrophobicContact CD-CD2 4.26Å; K265-F269 HydrophobicContact CD-CE2 3.98Å; K265-F269 HydrophobicContact CG-CD2 3.33Å; K265-F269 HydrophobicContact CG-CE2 3.46Å; K265-F269 VanDerWaalsContact CG-CE2 3.46Å; K265-F269 HydrophobicContact CG-CG 4.35Å; K265-F269 VanDerWaalsContact O-CB 3.24Å; K265-F269 WeakPolarHBondContact O-CB 3.43Å; K265-F269 VanDerWaalsContact O-CD2 3.24Å; K265-F269 WeakPolarHBondContact O-CD2 3.4Å; K265-F269 PolarHBondContact O-N 3.19Å; F269-F272 PolarHBondContact O-N 3.19Å; F269-W273 AromaticContact CD1-NE1 3.87Å; F269-W273 WeakPolarHBondContact O-CB 3.4Å; F269-W273 VanDerWaalsContact O-CD1 3.23Å; F269-W273 PolarHBondContact O-N 3Å |
| 270 | L | 67.9 | Low | 67 | Low | 79 Ų | 79 | 47.4 Ų | 47.4 | 41% | 0.414 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.4 | -74.8 | 171.1 | 0 | 0 | 0 | 110.4 | S266 F272 W273 Q274 | S266-L270 VanDerWaalsContact O-CB 3.22Å; S266-L270 WeakPolarHBondContact O-CB 3.28Å; S266-L270 WeakPolarHBondContact O-CD1 3.3Å; S266-L270 WeakPolarHBondContact O-CG 3.41Å; S266-L270 PolarHBondContact O-N 3.02Å; L270-F272 VanDerWaalsContact C-N 3.33Å; L270-F272 PolarHBondContact O-N 3.25Å; L270-W273 PolarHBondContact O-N 3.24Å; L270-Q274 WeakPolarHBondContact O-CB 3.3Å; L270-Q274 WeakPolarHBondContact O-CG 3.24Å; L270-Q274 PolarHBondContact O-N 3.49Å |
| 271 | S | 66.1 | Low | 66.7 | Low | 12 Ų | 12 | 48.6 Ų | 48.6 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 177.2 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | V267 G275 | V267-S271 PolarHBondContact O-N 3.45Å; V267-S271 PolarHBondContact O-OG 2.83Å; S271-G275 PolarHBondContact O-N 2.79Å |
| 272 | F | 65.7 | Low | 66.5 | Low | 45 Ų | 45 | 49.6 Ų | 49.6 | 20% | 0.197 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -49.4 | 174.6 | 171.7 | -96.9 | 0 | 0 | 0 | 112.8 | Y230 N231 I268 F269 L270 Q274 G275 M276 | Y230-F272 HydrophobicContact CE1-CD2 4.06Å; Y230-F272 HydrophobicContact CE1-CE2 4.05Å; N231-F272 VanDerWaalsContact OD1-CE2 3.3Å; N231-F272 WeakPolarHBondContact OD1-CE2 3.29Å; N231-F272 WeakPolarHBondContact OD1-CZ 3.36Å; I268-F272 PolarHBondContact O-N 3.4Å; I268-F272 VanDerWaalsContact O-N 3.15Å; F269-F272 PolarHBondContact O-N 3.19Å; L270-F272 VanDerWaalsContact C-N 3.33Å; L270-F272 PolarHBondContact O-N 3.25Å; F272-Q274 VanDerWaalsContact C-N 3.27Å; F272-Q274 PolarHBondContact O-N 3.41Å; F272-G275 PolarHBondContact O-N 3.47Å; F272-M276 HydrophobicContact CD1-CE 4.2Å; F272-M276 HydrophobicContact CE1-CE 3.51Å; F272-M276 HydrophobicContact CE1-SD 4.44Å; F272-M276 HydrophobicContact CZ-CE 4.14Å; F272-M276 PolarHBondContact O-N 2.96Å |
| 273 | W | 67.9 | Low | 66.4 | Low | 156 Ų | 156 | 51.3 Ų | 51.3 | 59% | 0.591 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.2 | -32.3 | -179.2 | -85.3 | 95.1 | 0 | 0 | 0 | 112.1 | F269 L270 M276 L277 | F269-W273 AromaticContact CD1-NE1 3.87Å; F269-W273 WeakPolarHBondContact O-CB 3.4Å; F269-W273 VanDerWaalsContact O-CD1 3.23Å; F269-W273 PolarHBondContact O-N 3Å; L270-W273 PolarHBondContact O-N 3.24Å; W273-M276 HydrophobicContact CD2-CE 3.51Å; W273-M276 HydrophobicContact CE3-CE 3.23Å; W273-M276 HydrophobicContact CG-CE 4.22Å; W273-M276 HydrophobicContact CH2-CE 3.8Å; W273-M276 HydrophobicContact CZ2-CE 4.07Å; W273-M276 HydrophobicContact CZ3-CE 3.38Å; W273-L277 WeakPolarHBondContact O-CB 3.18Å; W273-L277 PolarHBondContact O-N 3.29Å |
| 274 | Q | 63.3 | Low | 66.2 | Low | 21 Ų | 21 | 55 Ų | 55 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -49.8 | 171.6 | -73.7 | 165.4 | -10.8 | 0 | 0 | 112.2 | L270 F272 M276 L277 L278 Q308 I311 E315 | L270-Q274 WeakPolarHBondContact O-CB 3.3Å; L270-Q274 WeakPolarHBondContact O-CG 3.24Å; L270-Q274 PolarHBondContact O-N 3.49Å; F272-Q274 VanDerWaalsContact C-N 3.27Å; F272-Q274 PolarHBondContact O-N 3.41Å; Q274-M276 VanDerWaalsContact C-N 3.31Å; Q274-M276 PolarHBondContact O-N 2.89Å; Q274-L277 PolarHBondContact O-N 2.84Å; Q274-L278 WeakPolarHBondContact O-CB 3.38Å; Q274-L278 VanDerWaalsContact O-CG 3.32Å; Q274-L278 WeakPolarHBondContact O-CG 3.26Å; Q274-L278 PolarHBondContact O-N 2.88Å; Q274-Q308 HydrophobicContact CB-CG 4.17Å; Q274-I311 VanDerWaalsContact NE2-CG2 3.3Å; Q274-E315 PolarHBondContact NE2-OE1 3.13Å; Q274-E315 PolarHBondContact NE2-OE2 3.05Å |
| 275 | G | 66.1 | Low | 65.9 | Low | 23 Ų | 23 | 57 Ų | 57 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S271 F272 L278 A279 | S271-G275 PolarHBondContact O-N 2.79Å; F272-G275 PolarHBondContact O-N 3.47Å; G275-L278 PolarHBondContact O-N 3.34Å; G275-A279 WeakPolarHBondContact O-CB 3.32Å; G275-A279 PolarHBondContact O-N 3.19Å |
| 276 | M | 65.9 | Low | 65.3 | Low | 58 Ų | 58 | 58.4 Ų | 58.4 | 29% | 0.286 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 175.9 | 177.7 | 172.2 | 41.2 | 0 | 0 | 112.7 | F272 W273 Q274 L278 A279 I280 | F272-M276 HydrophobicContact CD1-CE 4.2Å; F272-M276 HydrophobicContact CE1-CE 3.51Å; F272-M276 HydrophobicContact CE1-SD 4.44Å; F272-M276 HydrophobicContact CZ-CE 4.14Å; F272-M276 PolarHBondContact O-N 2.96Å; W273-M276 HydrophobicContact CD2-CE 3.51Å; W273-M276 HydrophobicContact CE3-CE 3.23Å; W273-M276 HydrophobicContact CG-CE 4.22Å; W273-M276 HydrophobicContact CH2-CE 3.8Å; W273-M276 HydrophobicContact CZ2-CE 4.07Å; W273-M276 HydrophobicContact CZ3-CE 3.38Å; Q274-M276 VanDerWaalsContact C-N 3.31Å; Q274-M276 PolarHBondContact O-N 2.89Å; M276-L278 VanDerWaalsContact C-N 3.29Å; M276-L278 PolarHBondContact O-N 3.45Å; M276-A279 PolarHBondContact O-N 3.4Å; M276-I280 HydrophobicContact CG-CD1 3.94Å; M276-I280 VanDerWaalsContact O-CG1 3.26Å; M276-I280 WeakPolarHBondContact O-CG1 3.48Å; M276-I280 PolarHBondContact O-N 2.89Å |
| 277 | L | 68.5 | Low | 65 | Low | 101 Ų | 101 | 57 Ų | 57 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 177.2 | 178.5 | 60.5 | 0 | 0 | 0 | 110.1 | W273 Q274 I280 L281 | W273-L277 WeakPolarHBondContact O-CB 3.18Å; W273-L277 PolarHBondContact O-N 3.29Å; Q274-L277 PolarHBondContact O-N 2.84Å; L277-I280 WeakPolarHBondContact O-CB 3.02Å; L277-I280 PolarHBondContact O-N 3.35Å; L277-L281 HydrophobicContact CD1-CD1 3.83Å; L277-L281 HydrophobicContact CD2-CD1 4.48Å; L277-L281 HydrophobicContact CG-CD1 3.66Å; L277-L281 VanDerWaalsContact O-CD1 3.31Å; L277-L281 WeakPolarHBondContact O-CD1 3.33Å; L277-L281 PolarHBondContact O-N 3.42Å |
| 278 | L | 67.6 | Low | 64.4 | Low | 24 Ų | 24 | 58.4 Ų | 58.4 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 177.9 | -75.5 | 166.7 | 0 | 0 | 0 | 112.9 | Q274 G275 M276 I280 L281 E282 A304 W307 Q308 | Q274-L278 WeakPolarHBondContact O-CB 3.38Å; Q274-L278 VanDerWaalsContact O-CG 3.32Å; Q274-L278 WeakPolarHBondContact O-CG 3.26Å; Q274-L278 PolarHBondContact O-N 2.88Å; G275-L278 PolarHBondContact O-N 3.34Å; M276-L278 VanDerWaalsContact C-N 3.29Å; M276-L278 PolarHBondContact O-N 3.45Å; L278-I280 VanDerWaalsContact C-N 3.25Å; L278-I280 PolarHBondContact O-N 2.8Å; L278-L281 PolarHBondContact O-N 2.94Å; L278-L281 VanDerWaalsContact O-N 3.15Å; L278-E282 PolarHBondContact O-N 3.46Å; L278-A304 HydrophobicContact CB-CB 4.27Å; L278-A304 WeakPolarHBondContact CD1-O 3.35Å; L278-A304 HydrophobicContact CD2-CB 4.16Å; L278-W307 HydrophobicContact CD2-CB 4.44Å; L278-Q308 HydrophobicContact CD1-CB 3.35Å; L278-Q308 HydrophobicContact CD1-CG 3.7Å |
| 279 | A | 64.9 | Low | 63.3 | Low | 13 Ų | 13 | 63.9 Ų | 63.9 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -35.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F217 G275 M276 R283 | F217-A279 HydrophobicContact CE2-CB 4.44Å; F217-A279 HydrophobicContact CZ-CB 4.19Å; G275-A279 WeakPolarHBondContact O-CB 3.32Å; G275-A279 PolarHBondContact O-N 3.19Å; M276-A279 PolarHBondContact O-N 3.4Å; A279-R283 VanDerWaalsContact O-CG 3.29Å; A279-R283 WeakPolarHBondContact O-CG 3.45Å; A279-R283 PolarHBondContact O-N 2.91Å |
| 280 | I | 67.3 | Low | 62.6 | Low | 91 Ų | 91 | 62.5 Ų | 62.5 | 47% | 0.467 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.9 | -41.5 | 174 | -66.4 | 163.9 | 0 | 0 | 0 | 111.2 | M276 L277 L278 E282 R283 C284 | M276-I280 HydrophobicContact CG-CD1 3.94Å; M276-I280 VanDerWaalsContact O-CG1 3.26Å; M276-I280 WeakPolarHBondContact O-CG1 3.48Å; M276-I280 PolarHBondContact O-N 2.89Å; L277-I280 WeakPolarHBondContact O-CB 3.02Å; L277-I280 PolarHBondContact O-N 3.35Å; L278-I280 VanDerWaalsContact C-N 3.25Å; L278-I280 PolarHBondContact O-N 2.8Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.44Å; I280-R283 CarbonylContact O-C 3.6Å; I280-R283 WeakPolarHBondContact O-CA 3.11Å; I280-R283 WeakPolarHBondContact O-CB 3.24Å; I280-R283 PolarHBondContact O-N 3.47Å; I280-R283 VanDerWaalsContact O-N 3.11Å; I280-C284 PolarHBondContact O-N 3.27Å; I280-C284 PolarHBondContact O-SG 3.48Å; I280-C284 VanDerWaalsContact O-SG 3.4Å |
| 281 | L | 65.4 | Low | 61.9 | Low | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.293 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 177.7 | -92.2 | 132.1 | 0 | 0 | 0 | 112.5 | L277 L278 C284 G285 V286 I287 | L277-L281 HydrophobicContact CD1-CD1 3.83Å; L277-L281 HydrophobicContact CD2-CD1 4.48Å; L277-L281 HydrophobicContact CG-CD1 3.66Å; L277-L281 VanDerWaalsContact O-CD1 3.31Å; L277-L281 WeakPolarHBondContact O-CD1 3.33Å; L277-L281 PolarHBondContact O-N 3.42Å; L278-L281 PolarHBondContact O-N 2.94Å; L278-L281 VanDerWaalsContact O-N 3.15Å; L281-C284 PolarHBondContact O-N 2.84Å; L281-G285 PolarHBondContact O-N 2.83Å; L281-V286 HydrophobicContact CD2-CB 3.99Å; L281-V286 HydrophobicContact CD2-CG1 3.83Å; L281-V286 HydrophobicContact CD2-CG2 4.43Å; L281-V286 PolarHBondContact O-N 3.48Å; L281-I287 HydrophobicContact CB-CD1 4.15Å; L281-I287 HydrophobicContact CB-CG1 4.43Å |
| 282 | E | 63 | Low | 61.2 | Low | 36 Ų | 36 | 61 Ų | 61 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 169.5 | -174.7 | -176.4 | -176.2 | 0 | 0 | 110.7 | G215 L278 I280 C284 G285 A300 | G215-E282 VanDerWaalsContact CA-OE2 3.28Å; G215-E282 WeakPolarHBondContact CA-OE2 3.45Å; L278-E282 PolarHBondContact O-N 3.46Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.44Å; E282-C284 PolarHBondContact O-N 3.21Å; E282-G285 PolarHBondContact O-N 3.44Å; E282-G285 VanDerWaalsContact O-N 3.09Å; E282-A300 HydrophobicContact CG-CB 4.27Å |
| 283 | R | 63.7 | Low | 60.6 | Low | 141 Ų | 141 | 59.2 Ų | 59.2 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 177.9 | -72.9 | -64 | -170.6 | -175.2 | -3.1 | 114.3 | F217 A279 I280 G285 | F217-R283 VanDerWaalsContact CA-NH2 3.27Å; F217-R283 VanDerWaalsContact CD2-NE 3.27Å; F217-R283 HydrophobicContact CE2-CG 4.45Å; A279-R283 VanDerWaalsContact O-CG 3.29Å; A279-R283 WeakPolarHBondContact O-CG 3.45Å; A279-R283 PolarHBondContact O-N 2.91Å; I280-R283 CarbonylContact O-C 3.6Å; I280-R283 WeakPolarHBondContact O-CA 3.11Å; I280-R283 WeakPolarHBondContact O-CB 3.24Å; I280-R283 PolarHBondContact O-N 3.47Å; I280-R283 VanDerWaalsContact O-N 3.11Å; R283-G285 PolarHBondContact O-N 3.24Å |
| 284 | C | 65.1 | Low | 59.6 | Low | 91 Ų | 91 | 54.8 Ų | 54.8 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -1.9 | 176.4 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | I280 L281 E282 V286 | I280-C284 PolarHBondContact O-N 3.27Å; I280-C284 PolarHBondContact O-SG 3.48Å; I280-C284 VanDerWaalsContact O-SG 3.4Å; L281-C284 PolarHBondContact O-N 2.84Å; E282-C284 PolarHBondContact O-N 3.21Å; C284-V286 HydrophobicContact CB-CG2 3.92Å; C284-V286 PolarHBondContact O-N 2.85Å |
| 285 | G | 59 | Low | 58.8 | Low | 49 Ų | 49 | 56.3 Ų | 56.3 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 17.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | L281 E282 R283 | L281-G285 PolarHBondContact O-N 2.83Å; E282-G285 PolarHBondContact O-N 3.44Å; E282-G285 VanDerWaalsContact O-N 3.09Å; R283-G285 PolarHBondContact O-N 3.24Å |
| 286 | V | 57.5 | Low | 57.9 | Low | 99 Ų | 99 | 61.4 Ų | 61.4 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | trans | -72.7 | -26.7 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 110 | L281 C284 | L281-V286 HydrophobicContact CD2-CB 3.99Å; L281-V286 HydrophobicContact CD2-CG1 3.83Å; L281-V286 HydrophobicContact CD2-CG2 4.43Å; L281-V286 PolarHBondContact O-N 3.48Å; C284-V286 HydrophobicContact CB-CG2 3.92Å; C284-V286 PolarHBondContact O-N 2.85Å | ||
| 287 | I | 57.3 | Low | 57.3 | Low | 19 Ų | 19 | 65.5 Ų | 65.5 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -96.5 | 119.3 | 174.5 | -52.7 | 179.3 | 0 | 0 | 0 | 108.2 | L281 N289 A300 V303 A304 | L281-I287 HydrophobicContact CB-CD1 4.15Å; L281-I287 HydrophobicContact CB-CG1 4.43Å; I287-N289 PolarHBondContact O-N 2.97Å; I287-A300 HydrophobicContact CB-CB 4.41Å; I287-A300 HydrophobicContact CG2-CB 3.88Å; I287-V303 HydrophobicContact CG2-CB 4.49Å; I287-V303 HydrophobicContact CG2-CG1 4.43Å; I287-A304 HydrophobicContact CD1-CB 3.65Å |
| 288 | P | 54.5 | Low | 56.9 | Low | 44 Ų | 44 | 60.9 Ų | 60.9 | 29% | 0.286 | 34% | 0.343 | S | S | . | . | trans | -64.6 | 134.3 | -178.3 | 21.4 | -28.6 | 0 | 0 | 0 | 111.8 | I39 A290 L291 | I39-P288 HydrophobicContact CG2-CB 3.81Å; I39-P288 HydrophobicContact CG2-CG 3.79Å; P288-A290 VanDerWaalsContact C-N 3.32Å; P288-A290 PolarHBondContact O-N 3.44Å; P288-L291 HydrophobicContact CG-CD1 4Å; P288-L291 HydrophobicContact CG-CD2 4.36Å; P288-L291 HydrophobicContact CG-CG 4.26Å | ||
| 289 | N | 48.2 | Very low | 56.6 | Low | 122 Ų | 122 | 61.3 Ų | 61.3 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -69.7 | -16.2 | -168.5 | -70.5 | -54.4 | 0 | 0 | 0 | 116 | I287 | I287-N289 PolarHBondContact O-N 2.97Š|
| 290 | A | 49 | Very low | 56.5 | Low | 33 Ų | 33 | 60.9 Ų | 60.9 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 107.6 | -179 | 0 | 0 | 0 | 0 | 0 | 109.4 | P288 | P288-A290 VanDerWaalsContact C-N 3.32Å; P288-A290 PolarHBondContact O-N 3.44Å |
| 291 | L | 54 | Low | 56.4 | Low | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.7 | 172.7 | -76 | 157.6 | 0 | 0 | 0 | 107 | T37 I39 I51 P288 V298 V303 | T37-L291 HydrophobicContact CG2-CB 4.26Å; T37-L291 HydrophobicContact CG2-CD2 3.68Å; I39-L291 HydrophobicContact CB-CD2 3.93Å; I39-L291 HydrophobicContact CD1-CD2 3.96Å; I39-L291 HydrophobicContact CG1-CD2 3.44Å; I39-L291 VanDerWaalsContact CG1-CD2 3.44Å; I39-L291 HydrophobicContact CG2-CD2 4.01Å; I51-L291 HydrophobicContact CD1-CD1 3.85Å; I51-L291 HydrophobicContact CD1-CD2 4.13Å; I51-L291 HydrophobicContact CD1-CG 4.45Å; P288-L291 HydrophobicContact CG-CD1 4Å; P288-L291 HydrophobicContact CG-CD2 4.36Å; P288-L291 HydrophobicContact CG-CG 4.26Å; L291-V298 HydrophobicContact CB-CG2 3.81Å; L291-V298 PolarHBondContact N-O 3.07Å; L291-V298 WeakPolarHBondContact O-CG2 3.45Å; L291-V298 PolarHBondContact O-N 2.86Å; L291-V303 HydrophobicContact CB-CG2 4.5Å; L291-V303 HydrophobicContact CD1-CB 4.2Å; L291-V303 HydrophobicContact CD1-CG1 4.04Å; L291-V303 HydrophobicContact CD1-CG2 3.61Å |
| 292 | F | 51.9 | Low | 56.6 | Low | 55 Ų | 55 | 55.2 Ų | 55.2 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.8 | 170.1 | -64.5 | -93.6 | 0 | 0 | 0 | 107.9 | T37 I38 Q296 E297 | T37-F292 VanDerWaalsContact CA-O 3.31Å; T37-F292 WeakPolarHBondContact CA-O 3.27Å; I38-F292 HydrophobicContact CB-CB 4.15Å; I38-F292 HydrophobicContact CB-CD2 4.28Å; I38-F292 HydrophobicContact CG2-CD2 4.39Å; I38-F292 PolarHBondContact N-O 3.02Å; I38-F292 VanDerWaalsContact N-O 3.12Å; I38-F292 PolarHBondContact O-N 2.97Å; I38-F292 VanDerWaalsContact O-N 3.12Å; F292-Q296 WeakPolarHBondContact CA-O 2.94Å; F292-E297 HydrophobicContact CD1-CG 3.84Å; F292-E297 HydrophobicContact CE1-CG 3.31Å; F292-E297 HydrophobicContact CZ-CG 3.87Å |
| 293 | I | 52.3 | Low | 57 | Low | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.8 | 171 | -62.8 | 178.4 | 0 | 0 | 0 | 107 | T37 I51 I114 G295 Q296 V298 | T37-I293 HydrophobicContact CG2-CG1 4Å; I51-I293 HydrophobicContact CD1-CD1 4.41Å; I114-I293 HydrophobicContact CG2-CD1 4.33Å; I293-G295 PolarHBondContact O-N 3.28Å; I293-G295 VanDerWaalsContact O-N 3.07Å; I293-Q296 PolarHBondContact N-O 2.89Å; I293-Q296 PolarHBondContact O-N 3.24Å; I293-V298 HydrophobicContact CB-CG1 4.36Å; I293-V298 HydrophobicContact CB-CG2 4.19Å; I293-V298 HydrophobicContact CD1-CG1 4.4Å; I293-V298 HydrophobicContact CD1-CG2 3.53Å; I293-V298 HydrophobicContact CG1-CG2 3.62Å |
| 294 | D | 47 | Very low | 57.4 | Low | 63 Ų | 63 | 47.6 Ų | 47.6 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 35.1 | -179.8 | -69.6 | -29.6 | 0 | 0 | 0 | 114.9 | N35 Q296 | N35-D294 PolarHBondContact N-OD1 2.85Å; D294-Q296 VanDerWaalsContact C-N 3.33Å; D294-Q296 PolarHBondContact O-N 2.8Å |
| 295 | G | 46.2 | Very low | 57.8 | Low | 53 Ų | 53 | 44 Ų | 44 | 55% | 0.546 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 12.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | I293 | I293-G295 PolarHBondContact O-N 3.28Å; I293-G295 VanDerWaalsContact O-N 3.07Å |
| 296 | Q | 47.7 | Very low | 58.7 | Low | 129 Ų | 129 | 41.8 Ų | 41.8 | 60% | 0.603 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.6 | 167 | -63.1 | -70.4 | -71.1 | 0 | 0 | 109.6 | F292 I293 D294 V298 | F292-Q296 WeakPolarHBondContact CA-O 2.94Å; I293-Q296 PolarHBondContact N-O 2.89Å; I293-Q296 PolarHBondContact O-N 3.24Å; D294-Q296 VanDerWaalsContact C-N 3.33Å; D294-Q296 PolarHBondContact O-N 2.8Å; Q296-V298 PolarHBondContact O-N 3.43Å |
| 297 | E | 52.5 | Low | 59.8 | Low | 144 Ų | 144 | 41.4 Ų | 41.4 | 67% | 0.673 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 111.7 | 170.2 | -72.2 | -178.5 | 176.9 | 0 | 0 | 108.4 | F292 | F292-E297 HydrophobicContact CD1-CG 3.84Å; F292-E297 HydrophobicContact CE1-CG 3.31Å; F292-E297 HydrophobicContact CZ-CG 3.87Å |
| 298 | V | 60.3 | Low | 61 | Low | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.7 | 168.6 | -65.8 | 0 | 0 | 0 | 0 | 109.4 | L291 I293 Q296 V303 | L291-V298 HydrophobicContact CB-CG2 3.81Å; L291-V298 PolarHBondContact N-O 3.07Å; L291-V298 WeakPolarHBondContact O-CG2 3.45Å; L291-V298 PolarHBondContact O-N 2.86Å; I293-V298 HydrophobicContact CB-CG1 4.36Å; I293-V298 HydrophobicContact CB-CG2 4.19Å; I293-V298 HydrophobicContact CD1-CG1 4.4Å; I293-V298 HydrophobicContact CD1-CG2 3.53Å; I293-V298 HydrophobicContact CG1-CG2 3.62Å; Q296-V298 PolarHBondContact O-N 3.43Å; V298-V303 HydrophobicContact CG2-CG2 4.16Å |
| 299 | G | 61 | Low | 62.4 | Low | 34 Ų | 34 | 40.7 Ų | 40.7 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 158.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G301 T302 | G299-G301 PolarHBondContact O-N 3.35Å; G299-T302 PolarHBondContact O-N 3.16Å; G299-T302 VanDerWaalsContact O-N 3.15Å |
| 300 | A | 63.9 | Low | 64.2 | Low | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.7 | -35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E282 I287 T302 V303 A304 | E282-A300 HydrophobicContact CG-CB 4.27Å; I287-A300 HydrophobicContact CB-CB 4.41Å; I287-A300 HydrophobicContact CG2-CB 3.88Å; A300-T302 PolarHBondContact O-N 2.68Å; A300-V303 PolarHBondContact O-N 3.35Å; A300-A304 PolarHBondContact O-N 2.9Å |
| 301 | G | 63.9 | Low | 66 | Low | 15 Ų | 15 | 37.4 Ų | 37.4 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G299 V303 A304 A305 | G299-G301 PolarHBondContact O-N 3.35Å; G301-V303 VanDerWaalsContact C-N 3.29Å; G301-V303 PolarHBondContact O-N 2.84Å; G301-A304 WeakPolarHBondContact O-CB 3.28Å; G301-A304 PolarHBondContact O-N 3.48Å; G301-A305 WeakPolarHBondContact O-CB 3.33Å; G301-A305 PolarHBondContact O-N 3.3Å |
| 302 | T | 70.1 | Confident | 67.5 | Low | 13 Ų | 13 | 37.3 Ų | 37.3 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 179.2 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | I114 D117 G299 A300 A305 G306 | I114-T302 HydrophobicContact CG2-CG2 4.46Å; D117-T302 PolarHBondContact OD1-OG1 3.14Å; G299-T302 PolarHBondContact O-N 3.16Å; G299-T302 VanDerWaalsContact O-N 3.15Å; A300-T302 PolarHBondContact O-N 2.68Å; T302-A305 PolarHBondContact O-N 3.05Å; T302-G306 PolarHBondContact O-N 3Å |
| 303 | V | 71.8 | Confident | 69.3 | Low | 12 Ų | 12 | 34.7 Ų | 34.7 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.8 | -37.7 | 179.3 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | I51 I287 L291 V298 A300 G301 G306 W307 | I51-V303 HydrophobicContact CD1-CG1 4.32Å; I51-V303 HydrophobicContact CD1-CG2 4.46Å; I287-V303 HydrophobicContact CG2-CB 4.49Å; I287-V303 HydrophobicContact CG2-CG1 4.43Å; L291-V303 HydrophobicContact CB-CG2 4.5Å; L291-V303 HydrophobicContact CD1-CB 4.2Å; L291-V303 HydrophobicContact CD1-CG1 4.04Å; L291-V303 HydrophobicContact CD1-CG2 3.61Å; V298-V303 HydrophobicContact CG2-CG2 4.16Å; A300-V303 PolarHBondContact O-N 3.35Å; G301-V303 VanDerWaalsContact C-N 3.29Å; G301-V303 PolarHBondContact O-N 2.84Å; V303-G306 PolarHBondContact O-N 3.01Å; V303-W307 PolarHBondContact O-N 3.43Å; V303-W307 VanDerWaalsContact O-N 3.12Å |
| 304 | A | 72.1 | Confident | 71 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | L278 I287 A300 G301 G306 W307 Q308 | L278-A304 HydrophobicContact CB-CB 4.27Å; L278-A304 WeakPolarHBondContact CD1-O 3.35Å; L278-A304 HydrophobicContact CD2-CB 4.16Å; I287-A304 HydrophobicContact CD1-CB 3.65Å; A300-A304 PolarHBondContact O-N 2.9Å; G301-A304 WeakPolarHBondContact O-CB 3.28Å; G301-A304 PolarHBondContact O-N 3.48Å; A304-G306 VanDerWaalsContact C-N 3.32Å; A304-G306 PolarHBondContact O-N 3.37Å; A304-W307 PolarHBondContact O-N 3.4Å; A304-W307 VanDerWaalsContact O-N 3.16Å; A304-Q308 PolarHBondContact O-N 2.85Å |
| 305 | A | 73.9 | Confident | 73 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G301 T302 W307 Q308 N309 | G301-A305 WeakPolarHBondContact O-CB 3.33Å; G301-A305 PolarHBondContact O-N 3.3Å; T302-A305 PolarHBondContact O-N 3.05Å; A305-W307 PolarHBondContact O-N 2.89Å; A305-Q308 VanDerWaalsContact O-CB 3.31Å; A305-Q308 WeakPolarHBondContact O-CB 3.15Å; A305-Q308 PolarHBondContact O-N 2.82Å; A305-N309 WeakPolarHBondContact O-CB 3.47Å; A305-N309 VanDerWaalsContact O-CG 3.26Å; A305-N309 PolarHBondContact O-N 3.16Å; A305-N309 PolarHBondContact O-ND2 3.47Å; A305-N309 VanDerWaalsContact O-ND2 3.12Å |
| 306 | G | 77.8 | Confident | 75.1 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L111 T302 V303 A304 Q308 N309 F310 | L111-G306 VanDerWaalsContact CD2-O 3.26Å; L111-G306 WeakPolarHBondContact CD2-O 3.44Å; T302-G306 PolarHBondContact O-N 3Å; V303-G306 PolarHBondContact O-N 3.01Å; A304-G306 VanDerWaalsContact C-N 3.32Å; A304-G306 PolarHBondContact O-N 3.37Å; G306-Q308 PolarHBondContact O-N 3.1Å; G306-N309 PolarHBondContact O-N 3.44Å; G306-F310 PolarHBondContact O-N 2.92Å |
| 307 | W | 79.4 | Confident | 77.2 | Confident | 92 Ų | 92 | 29.3 Ų | 29.3 | 35% | 0.348 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64 | -39.9 | 175 | -84.3 | 108.3 | 0 | 0 | 0 | 112.5 | F52 L53 L278 V303 A304 A305 N309 F310 I311 | F52-W307 HydrophobicContact CB-CH2 4.23Å; F52-W307 HydrophobicContact CB-CZ2 4.34Å; F52-W307 AromaticContact CD1-CH2 3.65Å; F52-W307 HydrophobicContact CD1-CH2 3.65Å; F52-W307 HydrophobicContact CD1-CZ2 4.47Å; F52-W307 HydrophobicContact CD1-CZ3 4.19Å; F52-W307 HydrophobicContact CE1-CH2 4.5Å; F52-W307 HydrophobicContact CG-CH2 4.32Å; L53-W307 HydrophobicContact CD1-CB 4.4Å; L53-W307 HydrophobicContact CD1-CD2 3.89Å; L53-W307 HydrophobicContact CD1-CG 3.71Å; L53-W307 HydrophobicContact CD2-CD2 3.88Å; L53-W307 HydrophobicContact CD2-CE3 3.87Å; L53-W307 HydrophobicContact CD2-CG 4.37Å; L53-W307 HydrophobicContact CD2-CH2 4.47Å; L53-W307 HydrophobicContact CD2-CZ2 4.46Å; L53-W307 HydrophobicContact CD2-CZ3 4.18Å; L53-W307 HydrophobicContact CG-CD2 3.98Å; L53-W307 HydrophobicContact CG-CE3 4.42Å; L53-W307 HydrophobicContact CG-CG 4.33Å; L53-W307 HydrophobicContact CG-CZ2 4.13Å; L278-W307 HydrophobicContact CD2-CB 4.44Å; V303-W307 PolarHBondContact O-N 3.43Å; V303-W307 VanDerWaalsContact O-N 3.12Å; A304-W307 PolarHBondContact O-N 3.4Å; A304-W307 VanDerWaalsContact O-N 3.16Å; A305-W307 PolarHBondContact O-N 2.89Å; W307-N309 VanDerWaalsContact C-N 3.34Å; W307-N309 PolarHBondContact O-N 3.46Å; W307-F310 HydrophobicContact CE3-CD1 4.35Å; W307-F310 HydrophobicContact CZ3-CD1 4.22Å; W307-F310 PolarHBondContact O-N 3.44Å; W307-I311 WeakPolarHBondContact O-CG1 3.22Å; W307-I311 PolarHBondContact O-N 3.42Å |
| 308 | Q | 82.6 | Confident | 78.9 | Confident | 46 Ų | 46 | 28.3 Ų | 28.3 | 22% | 0.215 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 174.6 | -158.4 | 170.6 | -38.9 | 0 | 0 | 111.5 | Q274 L278 A304 A305 G306 F310 I311 T312 | Q274-Q308 HydrophobicContact CB-CG 4.17Å; L278-Q308 HydrophobicContact CD1-CB 3.35Å; L278-Q308 HydrophobicContact CD1-CG 3.7Å; A304-Q308 PolarHBondContact O-N 2.85Å; A305-Q308 VanDerWaalsContact O-CB 3.31Å; A305-Q308 WeakPolarHBondContact O-CB 3.15Å; A305-Q308 PolarHBondContact O-N 2.82Å; G306-Q308 PolarHBondContact O-N 3.1Å; Q308-F310 VanDerWaalsContact C-N 3.32Å; Q308-F310 PolarHBondContact O-N 3.47Å; Q308-I311 PolarHBondContact O-N 2.82Å; Q308-T312 WeakPolarHBondContact O-CB 3.23Å; Q308-T312 PolarHBondContact O-N 2.69Å; Q308-T312 PolarHBondContact O-OG1 3.14Å |
| 309 | N | 84.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | -177.9 | -71.1 | -32.8 | 0 | 0 | 0 | 111.7 | S110 L111 R127 A305 G306 W307 T312 C313 | S110-N309 WeakPolarHBondContact CB-ND2 3.43Å; S110-N309 PolarHBondContact OG-ND2 3.29Å; L111-N309 HydrophobicContact CD1-CB 4.5Å; L111-N309 HydrophobicContact CD2-CB 4.03Å; L111-N309 HydrophobicContact CG-CB 3.9Å; R127-N309 VanDerWaalsContact CZ-OD1 3.26Å; R127-N309 PolarHBondContact NH1-OD1 3.41Å; R127-N309 PolarHBondContact NH2-OD1 3.07Å; A305-N309 WeakPolarHBondContact O-CB 3.47Å; A305-N309 VanDerWaalsContact O-CG 3.26Å; A305-N309 PolarHBondContact O-N 3.16Å; A305-N309 PolarHBondContact O-ND2 3.47Å; A305-N309 VanDerWaalsContact O-ND2 3.12Å; G306-N309 PolarHBondContact O-N 3.44Å; W307-N309 VanDerWaalsContact C-N 3.34Å; W307-N309 PolarHBondContact O-N 3.46Å; N309-T312 PolarHBondContact O-N 2.76Å; N309-C313 PolarHBondContact O-N 2.84Å; N309-C313 PolarHBondContact O-SG 3.27Å |
| 310 | F | 86.1 | Confident | 81.5 | Confident | 17 Ų | 17 | 26.9 Ų | 26.9 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -48 | 174.4 | -178.9 | -100.9 | 0 | 0 | 0 | 112.6 | F52 L53 A58 L61 L111 G306 W307 Q308 T312 C313 I314 | F52-F310 HydrophobicContact CE1-CE1 4.16Å; F52-F310 AromaticContact CE1-CZ 3.94Å; F52-F310 HydrophobicContact CE1-CZ 3.94Å; L53-F310 HydrophobicContact CD2-CB 3.66Å; L53-F310 HydrophobicContact CD2-CD2 4.44Å; L53-F310 HydrophobicContact CD2-CG 3.96Å; A58-F310 HydrophobicContact CB-CE2 4.07Å; L61-F310 HydrophobicContact CD2-CZ 4.42Å; L111-F310 HydrophobicContact CD1-CB 4.22Å; L111-F310 HydrophobicContact CD1-CD2 4.41Å; L111-F310 HydrophobicContact CD2-CB 4.24Å; G306-F310 PolarHBondContact O-N 2.92Å; W307-F310 HydrophobicContact CE3-CD1 4.35Å; W307-F310 HydrophobicContact CZ3-CD1 4.22Å; W307-F310 PolarHBondContact O-N 3.44Å; Q308-F310 VanDerWaalsContact C-N 3.32Å; Q308-F310 PolarHBondContact O-N 3.47Å; F310-T312 VanDerWaalsContact C-N 3.32Å; F310-T312 PolarHBondContact O-N 3.26Å; F310-C313 WeakPolarHBondContact O-CB 3.24Å; F310-C313 PolarHBondContact O-N 3.39Å; F310-I314 HydrophobicContact CD1-CD1 4.4Å; F310-I314 HydrophobicContact CE1-CD1 3.78Å; F310-I314 HydrophobicContact CZ-CD1 3.96Å |
| 311 | I | 86.5 | Confident | 82.7 | Confident | 69 Ų | 69 | 29.4 Ų | 29.4 | 35% | 0.354 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64 | -42.1 | 177.6 | -63.8 | 168.6 | 0 | 0 | 0 | 110.1 | Q274 W307 Q308 C313 I314 E315 | Q274-I311 VanDerWaalsContact NE2-CG2 3.3Å; W307-I311 WeakPolarHBondContact O-CG1 3.22Å; W307-I311 PolarHBondContact O-N 3.42Å; Q308-I311 PolarHBondContact O-N 2.82Å; I311-C313 VanDerWaalsContact C-N 3.3Å; I311-C313 PolarHBondContact O-N 3.45Å; I311-I314 PolarHBondContact O-N 3.44Å; I311-I314 VanDerWaalsContact O-N 3.08Å; I311-E315 HydrophobicContact CG2-CG 4.16Å; I311-E315 WeakPolarHBondContact O-CG 3.3Å; I311-E315 PolarHBondContact O-N 2.86Å |
| 312 | T | 87.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | Y103 S107 Q308 N309 F310 I314 E315 M316 | Y103-T312 HydrophobicContact CD1-CG2 4.3Å; S107-T312 VanDerWaalsContact OG-CG2 3.27Å; S107-T312 WeakPolarHBondContact OG-CG2 3.3Å; Q308-T312 WeakPolarHBondContact O-CB 3.23Å; Q308-T312 PolarHBondContact O-N 2.69Å; Q308-T312 PolarHBondContact O-OG1 3.14Å; N309-T312 PolarHBondContact O-N 2.76Å; F310-T312 VanDerWaalsContact C-N 3.32Å; F310-T312 PolarHBondContact O-N 3.26Å; T312-I314 VanDerWaalsContact C-N 3.28Å; T312-I314 PolarHBondContact O-N 2.89Å; T312-E315 PolarHBondContact O-N 2.91Å; T312-M316 HydrophobicContact CG2-CE 4.02Å; T312-M316 HydrophobicContact CG2-CG 4.02Å; T312-M316 WeakPolarHBondContact O-CB 3.31Å; T312-M316 VanDerWaalsContact O-CG 3.22Å; T312-M316 WeakPolarHBondContact O-CG 3.41Å; T312-M316 PolarHBondContact O-N 3.19Å |
| 313 | C | 88.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 177.1 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | V66 N309 F310 I311 | V66-C313 HydrophobicContact CG2-CB 3.72Å; N309-C313 PolarHBondContact O-N 2.84Å; N309-C313 PolarHBondContact O-SG 3.27Å; F310-C313 WeakPolarHBondContact O-CB 3.24Å; F310-C313 PolarHBondContact O-N 3.39Å; I311-C313 VanDerWaalsContact C-N 3.3Å; I311-C313 PolarHBondContact O-N 3.45Å |
| 314 | I | 88.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 33.7 Ų | 33.7 | 23% | 0.231 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.3 | -44.1 | 179.1 | -61.9 | 172.8 | 0 | 0 | 0 | 110.4 | F65 F310 I311 T312 M316 F317 F318 | F65-I314 HydrophobicContact CD2-CG1 4.02Å; F65-I314 HydrophobicContact CE2-CG1 4.27Å; F310-I314 HydrophobicContact CD1-CD1 4.4Å; F310-I314 HydrophobicContact CE1-CD1 3.78Å; F310-I314 HydrophobicContact CZ-CD1 3.96Å; I311-I314 PolarHBondContact O-N 3.44Å; I311-I314 VanDerWaalsContact O-N 3.08Å; T312-I314 VanDerWaalsContact C-N 3.28Å; T312-I314 PolarHBondContact O-N 2.89Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.24Å; I314-F317 WeakPolarHBondContact O-CB 3.44Å; I314-F317 PolarHBondContact O-N 3.43Å; I314-F318 HydrophobicContact CG2-CD2 4.22Å; I314-F318 HydrophobicContact CG2-CE2 3.81Å; I314-F318 WeakPolarHBondContact O-CD2 3.41Å |
| 315 | E | 88.9 | Confident | 85.7 | Confident | 45 Ų | 45 | 41.4 Ų | 41.4 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 179.8 | -73.1 | -173.4 | 164.1 | 0 | 0 | 112.8 | Q274 I311 T312 F317 F318 A319 | Q274-E315 PolarHBondContact NE2-OE1 3.13Å; Q274-E315 PolarHBondContact NE2-OE2 3.05Å; I311-E315 HydrophobicContact CG2-CG 4.16Å; I311-E315 WeakPolarHBondContact O-CG 3.3Å; I311-E315 PolarHBondContact O-N 2.86Å; T312-E315 PolarHBondContact O-N 2.91Å; E315-F317 PolarHBondContact O-N 3.29Å; E315-F318 PolarHBondContact O-N 2.89Å; E315-F318 VanDerWaalsContact O-N 3.12Å; E315-A319 WeakPolarHBondContact O-CB 3.28Å; E315-A319 PolarHBondContact O-N 3.36Å |
| 316 | M | 89.8 | Confident | 86 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -29.1 | 178.1 | -73.4 | -54 | 124.8 | 0 | 0 | 112.5 | V100 Y103 A104 V267 T312 I314 A320 | V100-M316 HydrophobicContact CG1-CB 4.18Å; V100-M316 WeakPolarHBondContact CG1-O 3.38Å; V100-M316 HydrophobicContact CG2-SD 4.43Å; Y103-M316 HydrophobicContact CD1-CE 4.07Å; Y103-M316 HydrophobicContact CG-CE 4.43Å; Y103-M316 HydrophobicContact CG-SD 4.33Å; A104-M316 HydrophobicContact CB-CB 3.9Å; A104-M316 HydrophobicContact CB-CG 4.24Å; V267-M316 HydrophobicContact CG1-CE 4.01Å; T312-M316 HydrophobicContact CG2-CE 4.02Å; T312-M316 HydrophobicContact CG2-CG 4.02Å; T312-M316 WeakPolarHBondContact O-CB 3.31Å; T312-M316 VanDerWaalsContact O-CG 3.22Å; T312-M316 WeakPolarHBondContact O-CG 3.41Å; T312-M316 PolarHBondContact O-N 3.19Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.24Å; M316-A320 WeakPolarHBondContact O-CB 3.33Å; M316-A320 PolarHBondContact O-N 2.86Å |
| 317 | F | 90.6 | Very high | 86.1 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -48.7 | 172.3 | 173.5 | -105.3 | 0 | 0 | 0 | 112.3 | F65 A69 I314 E315 A319 A320 I321 | F65-F317 HydrophobicContact CB-CB 4.34Å; F65-F317 HydrophobicContact CD1-CB 3.95Å; F65-F317 AromaticContact CD1-CD1 3.76Å; F65-F317 HydrophobicContact CD1-CD1 3.76Å; F65-F317 HydrophobicContact CD1-CD2 4.46Å; F65-F317 HydrophobicContact CD1-CE1 4.38Å; F65-F317 AromaticContact CD1-CG 3.8Å; F65-F317 HydrophobicContact CD1-CG 3.8Å; F65-F317 AromaticContact CE1-CD1 3.99Å; F65-F317 HydrophobicContact CE1-CD1 3.99Å; F65-F317 HydrophobicContact CE1-CE1 4.33Å; F65-F317 HydrophobicContact CE1-CG 4.48Å; A69-F317 HydrophobicContact CB-CB 4.31Å; A69-F317 HydrophobicContact CB-CD2 4.49Å; I314-F317 WeakPolarHBondContact O-CB 3.44Å; I314-F317 PolarHBondContact O-N 3.43Å; E315-F317 PolarHBondContact O-N 3.29Å; F317-A319 VanDerWaalsContact C-N 3.31Å; F317-A319 PolarHBondContact O-N 3.48Å; F317-A320 WeakPolarHBondContact O-CB 3.37Å; F317-A320 PolarHBondContact O-N 3.46Å; F317-I321 HydrophobicContact CD1-CD1 4.32Å; F317-I321 HydrophobicContact CE1-CD1 3.75Å; F317-I321 HydrophobicContact CE2-CD1 4.32Å; F317-I321 HydrophobicContact CZ-CD1 3.75Å; F317-I321 PolarHBondContact O-N 2.93Å |
| 318 | F | 89.2 | Confident | 86 | Confident | 123 Ų | 123 | 39.5 Ų | 39.5 | 54% | 0.539 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 175.8 | -67.8 | -72.2 | 0 | 0 | 0 | 111.8 | I314 E315 I321 A322 | I314-F318 HydrophobicContact CG2-CD2 4.22Å; I314-F318 HydrophobicContact CG2-CE2 3.81Å; I314-F318 WeakPolarHBondContact O-CD2 3.41Å; E315-F318 PolarHBondContact O-N 2.89Å; E315-F318 VanDerWaalsContact O-N 3.12Å; F318-I321 PolarHBondContact O-N 2.87Å; F318-A322 WeakPolarHBondContact O-CB 3.38Å; F318-A322 PolarHBondContact O-N 3.43Å |
| 319 | A | 87.4 | Confident | 85.3 | Confident | 9 Ų | 9 | 38 Ų | 38 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V100 V267 E315 F317 I321 A322 L323 | V100-A319 HydrophobicContact CG2-CB 4.28Å; V267-A319 HydrophobicContact CG2-CB 3.63Å; E315-A319 WeakPolarHBondContact O-CB 3.28Å; E315-A319 PolarHBondContact O-N 3.36Å; F317-A319 VanDerWaalsContact C-N 3.31Å; F317-A319 PolarHBondContact O-N 3.48Å; A319-I321 VanDerWaalsContact C-N 3.3Å; A319-I321 PolarHBondContact O-N 3.26Å; A319-A322 PolarHBondContact O-N 3.31Å; A319-L323 VanDerWaalsContact O-CB 3.31Å; A319-L323 WeakPolarHBondContact O-CB 3.14Å; A319-L323 WeakPolarHBondContact O-CG 3.35Å; A319-L323 PolarHBondContact O-N 3.49Å |
| 320 | A | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A69 L72 V100 M316 F317 R324 | A69-A320 HydrophobicContact CB-CB 4.32Å; L72-A320 HydrophobicContact CB-CB 4.42Å; L72-A320 HydrophobicContact CD2-CB 3.8Å; L72-A320 HydrophobicContact CG-CB 4.46Å; V100-A320 HydrophobicContact CG1-CB 4Å; M316-A320 WeakPolarHBondContact O-CB 3.33Å; M316-A320 PolarHBondContact O-N 2.86Å; F317-A320 WeakPolarHBondContact O-CB 3.37Å; F317-A320 PolarHBondContact O-N 3.46Å; A320-R324 WeakPolarHBondContact O-CB 3.48Å; A320-R324 PolarHBondContact O-N 3.46Å |
| 321 | I | 88.9 | Confident | 84.3 | Confident | 56 Ų | 56 | 44.7 Ų | 44.7 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 176.3 | -63.4 | 170.5 | 0 | 0 | 0 | 110.3 | L72 F317 F318 A319 L323 R324 Y325 | L72-I321 HydrophobicContact CD2-CB 4.36Å; L72-I321 HydrophobicContact CD2-CG1 3.59Å; F317-I321 HydrophobicContact CD1-CD1 4.32Å; F317-I321 HydrophobicContact CE1-CD1 3.75Å; F317-I321 HydrophobicContact CE2-CD1 4.32Å; F317-I321 HydrophobicContact CZ-CD1 3.75Å; F317-I321 PolarHBondContact O-N 2.93Å; F318-I321 PolarHBondContact O-N 2.87Å; A319-I321 VanDerWaalsContact C-N 3.3Å; A319-I321 PolarHBondContact O-N 3.26Å; I321-L323 PolarHBondContact O-N 3.42Å; I321-R324 WeakPolarHBondContact O-CB 3.33Å; I321-R324 PolarHBondContact O-N 3.1Å; I321-Y325 HydrophobicContact CG2-CD2 3.93Å; I321-Y325 HydrophobicContact CG2-CE2 3.56Å; I321-Y325 WeakPolarHBondContact O-CD2 3.48Å; I321-Y325 PolarHBondContact O-N 3.31Å |
| 322 | A | 86.3 | Confident | 83.6 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T263 F318 A319 R324 Y325 A326 | T263-A322 HydrophobicContact CG2-CB 3.72Å; F318-A322 WeakPolarHBondContact O-CB 3.38Å; F318-A322 PolarHBondContact O-N 3.43Å; A319-A322 PolarHBondContact O-N 3.31Å; A322-R324 VanDerWaalsContact C-N 3.27Å; A322-R324 PolarHBondContact O-N 3Å; A322-Y325 PolarHBondContact O-N 3.37Å; A322-A326 WeakPolarHBondContact O-CB 3.26Å; A322-A326 PolarHBondContact O-N 2.79Å |
| 323 | L | 84.8 | Confident | 82.8 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -29.7 | 176.3 | -75.7 | 168 | 0 | 0 | 0 | 112.3 | Q76 I96 I99 V100 T263 I264 A319 I321 F327 | Q76-L323 PolarHBondContact NE2-O 3.3Å; I96-L323 HydrophobicContact CG2-CD2 4.42Å; I99-L323 HydrophobicContact CG2-CD1 4.21Å; V100-L323 HydrophobicContact CG2-CD1 3.41Å; V100-L323 VanDerWaalsContact CG2-CD1 3.41Å; T263-L323 HydrophobicContact CG2-CD2 3.78Å; T263-L323 HydrophobicContact CG2-CG 3.89Å; I264-L323 HydrophobicContact CG1-CD2 4.24Å; A319-L323 VanDerWaalsContact O-CB 3.31Å; A319-L323 WeakPolarHBondContact O-CB 3.14Å; A319-L323 WeakPolarHBondContact O-CG 3.35Å; A319-L323 PolarHBondContact O-N 3.49Å; I321-L323 PolarHBondContact O-N 3.42Å; L323-F327 HydrophobicContact CD2-CD2 3.84Å; L323-F327 HydrophobicContact CD2-CE2 3.73Å; L323-F327 WeakPolarHBondContact O-CB 3.04Å; L323-F327 PolarHBondContact O-N 3.24Å |
| 324 | R | 85.9 | Confident | 82 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 171.6 | -171.7 | 177.6 | -179.6 | 107 | -2.7 | 112.4 | H75 A320 I321 A322 | H75-R324 PolarHBondContact ND1-NH1 3.5Å; A320-R324 WeakPolarHBondContact O-CB 3.48Å; A320-R324 PolarHBondContact O-N 3.46Å; I321-R324 WeakPolarHBondContact O-CB 3.33Å; I321-R324 PolarHBondContact O-N 3.1Å; A322-R324 VanDerWaalsContact C-N 3.27Å; A322-R324 PolarHBondContact O-N 3Å |
| 325 | Y | 83.4 | Confident | 81 | Confident | 167 Ų | 167 | 54.5 Ų | 54.5 | 66% | 0.655 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -72.8 | -44.1 | 176.1 | -71.7 | -67.6 | 0 | 0 | 0 | 112 | I321 A322 F327 T328 | I321-Y325 HydrophobicContact CG2-CD2 3.93Å; I321-Y325 HydrophobicContact CG2-CE2 3.56Å; I321-Y325 WeakPolarHBondContact O-CD2 3.48Å; I321-Y325 PolarHBondContact O-N 3.31Å; A322-Y325 PolarHBondContact O-N 3.37Å; Y325-F327 PolarHBondContact O-N 2.93Å; Y325-T328 PolarHBondContact O-OG1 3.44Å |
| 326 | A | 80.9 | Confident | 80 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L259 K260 T263 A322 | L259-A326 HydrophobicContact CD2-CB 3.71Å; K260-A326 WeakPolarHBondContact CE-O 3.04Å; K260-A326 HydrophobicContact CG-CB 4.11Å; K260-A326 VanDerWaalsContact CG-O 3.28Å; K260-A326 WeakPolarHBondContact CG-O 3.08Å; T263-A326 HydrophobicContact CG2-CB 4.42Å; A322-A326 WeakPolarHBondContact O-CB 3.26Å; A322-A326 PolarHBondContact O-N 2.79Å |
| 327 | F | 78.1 | Confident | 78.7 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 64.1 | -178.7 | -63.1 | -72.8 | 0 | 0 | 0 | 111.6 | Q76 H80 I93 I96 L97 L141 K260 I264 L323 Y325 C329 | Q76-F327 PolarHBondContact NE2-O 3.41Å; Q76-F327 VanDerWaalsContact NE2-O 3.16Å; H80-F327 PolarHBondContact NE2-O 3.2Å; H80-F327 VanDerWaalsContact NE2-O 3.14Å; I93-F327 HydrophobicContact CB-CD1 4.49Å; I93-F327 HydrophobicContact CD1-CD1 4.19Å; I93-F327 HydrophobicContact CG1-CD1 3.9Å; I93-F327 HydrophobicContact CG1-CE1 4.15Å; I93-F327 HydrophobicContact CG2-CB 3.91Å; I93-F327 HydrophobicContact CG2-CD1 3.91Å; I93-F327 HydrophobicContact CG2-CG 3.96Å; I96-F327 HydrophobicContact CG2-CE2 4.25Å; L97-F327 HydrophobicContact CD1-CB 4.22Å; L97-F327 HydrophobicContact CD1-CD2 4.1Å; L97-F327 HydrophobicContact CD1-CG 4.29Å; L141-F327 HydrophobicContact CD2-CE1 3.79Å; L141-F327 HydrophobicContact CD2-CZ 4.35Å; K260-F327 HydrophobicContact CB-CE1 4.35Å; K260-F327 HydrophobicContact CB-CZ 4.1Å; K260-F327 HydrophobicContact CD-CD1 4.4Å; K260-F327 HydrophobicContact CD-CE1 3.99Å; K260-F327 HydrophobicContact CG-CD1 4.47Å; K260-F327 HydrophobicContact CG-CE1 4.04Å; K260-F327 HydrophobicContact CG-CZ 4.18Å; I264-F327 HydrophobicContact CD1-CE2 3.83Å; I264-F327 HydrophobicContact CD1-CZ 3.67Å; I264-F327 HydrophobicContact CG1-CE2 4.27Å; L323-F327 HydrophobicContact CD2-CD2 3.84Å; L323-F327 HydrophobicContact CD2-CE2 3.73Å; L323-F327 WeakPolarHBondContact O-CB 3.04Å; L323-F327 PolarHBondContact O-N 3.24Å; Y325-F327 PolarHBondContact O-N 2.93Å; F327-C329 PolarHBondContact O-N 2.98Å |
| 328 | T | 78.2 | Confident | 77.5 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | trans | -66.2 | 127.2 | -179.1 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | Y325 T330 | Y325-T328 PolarHBondContact O-OG1 3.44Å; T328-T330 VanDerWaalsContact C-N 3.32Å; T328-T330 HydrophobicContact CG2-CG2 3.83Å; T328-T330 WeakPolarHBondContact CG2-OG1 3.17Å; T328-T330 PolarHBondContact O-N 3.43Å | ||
| 329 | C | 68.1 | Low | 76.3 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 10% | 0.101 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -75 | -15.4 | -179 | -52.2 | 0 | 0 | 0 | 0 | 114.4 | T79 H80 F327 V331 Y332 Q333 | T79-C329 HydrophobicContact CG2-CB 3.66Å; H80-C329 PolarHBondContact CD2-SG 3.47Å; H80-C329 PolarHBondContact CE1-SG 3.27Å; H80-C329 PolarHBondContact NE2-SG 3.24Å; F327-C329 PolarHBondContact O-N 2.98Å; C329-V331 VanDerWaalsContact C-N 3.29Å; C329-V331 PolarHBondContact O-N 2.94Å; C329-Y332 PolarHBondContact O-N 3.05Å; C329-Y332 VanDerWaalsContact O-N 3.14Å; C329-Q333 WeakPolarHBondContact O-CG 3.24Å; C329-Q333 PolarHBondContact O-N 3.48Å; C329-Q333 VanDerWaalsContact O-N 3.13Å |
| 330 | T | 72.2 | Confident | 74.4 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | -173.1 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | T328 Y332 Q333 E334 | T328-T330 VanDerWaalsContact C-N 3.32Å; T328-T330 HydrophobicContact CG2-CG2 3.83Å; T328-T330 WeakPolarHBondContact CG2-OG1 3.17Å; T328-T330 PolarHBondContact O-N 3.43Å; T330-Y332 PolarHBondContact O-N 3.02Å; T330-Q333 WeakPolarHBondContact O-CB 3.32Å; T330-Q333 PolarHBondContact O-N 2.93Å; T330-E334 PolarHBondContact O-N 3.46Å |
| 331 | V | 76.2 | Confident | 72.8 | Confident | 92 Ų | 92 | 71 Ų | 71 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.4 | -38.9 | 177 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | C329 K335 | C329-V331 VanDerWaalsContact C-N 3.29Å; C329-V331 PolarHBondContact O-N 2.94Å; V331-K335 PolarHBondContact O-N 3.47Å |
| 332 | Y | 72.8 | Confident | 71.2 | Confident | 19 Ų | 19 | 71 Ų | 71 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -81.1 | -25.5 | 179.1 | -60.9 | -71.8 | 0 | 0 | 0 | 112.8 | H80 T85 V86 E89 Q90 I93 C329 T330 K336 | H80-Y332 AromaticContact CE1-CD2 3.99Å; T85-Y332 PolarHBondContact OG1-O 3.42Å; V86-Y332 HydrophobicContact CB-CD1 4.34Å; V86-Y332 HydrophobicContact CB-CE1 4.14Å; V86-Y332 HydrophobicContact CG2-CD1 4.23Å; V86-Y332 HydrophobicContact CG2-CE1 4.27Å; E89-Y332 WeakPolarHBondContact OE2-CE1 3.32Å; E89-Y332 PolarHBondContact OE2-OH 3.49Å; Q90-Y332 HydrophobicContact CG-CD1 3.94Å; Q90-Y332 HydrophobicContact CG-CD2 4.34Å; Q90-Y332 HydrophobicContact CG-CE1 3.87Å; Q90-Y332 HydrophobicContact CG-CE2 4.25Å; Q90-Y332 HydrophobicContact CG-CG 4.19Å; I93-Y332 HydrophobicContact CD1-CE2 3.98Å; I93-Y332 WeakPolarHBondContact CD1-OH 3.2Å; C329-Y332 PolarHBondContact O-N 3.05Å; C329-Y332 VanDerWaalsContact O-N 3.14Å; T330-Y332 PolarHBondContact O-N 3.02Å; Y332-K336 PolarHBondContact O-N 2.9Å |
| 333 | Q | 70.4 | Confident | 69.4 | Low | 69 Ų | 69 | 76.7 Ų | 76.7 | 32% | 0.322 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -74.2 | -42.9 | 174.9 | -72.9 | 177 | -7.2 | 0 | 0 | 112 | S83 C329 T330 K336 N337 | S83-Q333 VanDerWaalsContact OG-CG 3.28Å; S83-Q333 WeakPolarHBondContact OG-CG 3.07Å; C329-Q333 WeakPolarHBondContact O-CG 3.24Å; C329-Q333 PolarHBondContact O-N 3.48Å; C329-Q333 VanDerWaalsContact O-N 3.13Å; T330-Q333 WeakPolarHBondContact O-CB 3.32Å; T330-Q333 PolarHBondContact O-N 2.93Å; Q333-K336 VanDerWaalsContact O-CB 3.32Å; Q333-K336 WeakPolarHBondContact O-CB 3.32Å; Q333-K336 PolarHBondContact O-N 2.87Å; Q333-K336 VanDerWaalsContact O-N 3.14Å; Q333-N337 VanDerWaalsContact O-CG 3.23Å; Q333-N337 PolarHBondContact O-N 3.09Å; Q333-N337 PolarHBondContact O-ND2 2.82Å |
| 334 | E | 71.9 | Confident | 67.8 | Low | 121 Ų | 121 | 83.5 Ų | 83.5 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60 | -47.6 | 175 | -73.2 | 175.2 | 168.9 | 0 | 0 | 110.4 | T330 K336 N337 D338 | T330-E334 PolarHBondContact O-N 3.46Å; E334-K336 PolarHBondContact O-N 3.45Å; E334-N337 PolarHBondContact O-N 2.94Å; E334-D338 PolarHBondContact O-N 3.46Å |
| 335 | K | 68.8 | Low | 66.2 | Low | 113 Ų | 113 | 84.8 Ų | 84.8 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.8 | -33.4 | 174.6 | -164.8 | 173 | -175.5 | 177 | 0 | 113.2 | V86 V331 L339 | V86-K335 HydrophobicContact CG2-CD 3.93Å; V331-K335 PolarHBondContact O-N 3.47Å; K335-L339 WeakPolarHBondContact O-CD1 3.49Å |
| 336 | K | 66.7 | Low | 64.9 | Low | 38 Ų | 38 | 82.2 Ų | 82.2 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69.1 | -39.7 | 174.2 | -169.5 | -179.9 | 175.6 | 179.2 | 0 | 112.1 | R82 T85 Y332 Q333 E334 T342 | R82-K336 PolarHBondContact O-NZ 2.9Å; T85-K336 HydrophobicContact CG2-CB 3.54Å; T85-K336 HydrophobicContact CG2-CD 4.47Å; T85-K336 HydrophobicContact CG2-CG 3.92Å; Y332-K336 PolarHBondContact O-N 2.9Å; Q333-K336 VanDerWaalsContact O-CB 3.32Å; Q333-K336 WeakPolarHBondContact O-CB 3.32Å; Q333-K336 PolarHBondContact O-N 2.87Å; Q333-K336 VanDerWaalsContact O-N 3.14Å; E334-K336 PolarHBondContact O-N 3.45Å; K336-T342 HydrophobicContact CG-CG2 4.36Å |
| 337 | N | 63.6 | Low | 63.7 | Low | 106 Ų | 106 | 83 Ų | 83 | 57% | 0.567 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -74.4 | -30.8 | -178.3 | -64.7 | -26.7 | 0 | 0 | 0 | 111.9 | Q333 E334 L339 | Q333-N337 VanDerWaalsContact O-CG 3.23Å; Q333-N337 PolarHBondContact O-N 3.09Å; Q333-N337 PolarHBondContact O-ND2 2.82Å; E334-N337 PolarHBondContact O-N 2.94Å; N337-L339 VanDerWaalsContact C-N 3.28Å; N337-L339 PolarHBondContact O-N 3.47Å |
| 338 | D | 65 | Low | 62.8 | Low | 136 Ų | 136 | 87 Ų | 87 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -74.8 | -15 | 176.2 | -70.1 | -25.5 | 0 | 0 | 0 | 113.4 | E334 P340 | E334-D338 PolarHBondContact O-N 3.46Å; D338-P340 VanDerWaalsContact O-CD 3.27Å; D338-P340 WeakPolarHBondContact O-CD 3.29Å |
| 339 | L | 63.5 | Low | 61.6 | Low | 91 Ų | 91 | 92.2 Ų | 92.2 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -77.5 | 111.3 | 174 | -88 | 150.4 | 0 | 0 | 0 | 110.2 | K335 N337 G341 | K335-L339 WeakPolarHBondContact O-CD1 3.49Å; N337-L339 VanDerWaalsContact C-N 3.28Å; N337-L339 PolarHBondContact O-N 3.47Å; L339-G341 PolarHBondContact O-N 3.43Å; L339-G341 VanDerWaalsContact O-N 3.09Å |
| 340 | P | 47.7 | Very low | 61.2 | Low | 134 Ų | 134 | 99.6 Ų | 99.6 | 87% | 0.87 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 113.9 | -176.9 | 25.3 | -31.8 | 0 | 0 | 0 | 110.5 | D338 | D338-P340 VanDerWaalsContact O-CD 3.27Å; D338-P340 WeakPolarHBondContact O-CD 3.29Å |
| 341 | G | 55.9 | Low | 61.1 | Low | 68 Ų | 68 | 99.5 Ų | 99.5 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.9 | -1.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L339 | L339-G341 PolarHBondContact O-N 3.43Å; L339-G341 VanDerWaalsContact O-N 3.09Å |
| 342 | T | 55.1 | Low | 61 | Low | 56 Ų | 56 | 96.4 Ų | 96.4 | 34% | 0.344 | 52% | 0.524 | S | S | . | . | trans | -105.1 | 31.4 | -176 | -36.4 | 0 | 0 | 0 | 0 | 113.7 | K336 D344 | K336-T342 HydrophobicContact CG-CG2 4.36Å; T342-D344 PolarHBondContact O-N 2.82Å | ||
| 343 | H | 49 | Very low | 61.1 | Low | 151 Ų | 151 | 99.3 Ų | 99.3 | 70% | 0.699 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -73.6 | 113.9 | 168.7 | -85.9 | -92.1 | 0 | 0 | 0 | 108.8 | ||
| 344 | D | 50 | Low | 61.3 | Low | 146 Ų | 146 | 99.4 Ų | 99.4 | 78% | 0.781 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 80.8 | 16.5 | 162.6 | -56.9 | -31 | 0 | 0 | 0 | 121.4 | T342 I346 | T342-D344 PolarHBondContact O-N 2.82Å; D344-I346 PolarHBondContact O-N 2.83Å; D344-I346 VanDerWaalsContact O-N 3.12Å |
| 345 | N | 53.6 | Low | 61.5 | Low | 121 Ų | 121 | 94.1 Ų | 94.1 | 65% | 0.647 | 53% | 0.533 | S | S | * | . | trans | -82.9 | 91.4 | 161.6 | -70.7 | -55.9 | 0 | 0 | 0 | 110.1 | A347 | N345-A347 PolarHBondContact O-N 3.5Å; N345-A347 VanDerWaalsContact O-N 3.1Å | ||
| 346 | I | 54.9 | Low | 62 | Low | 114 Ų | 114 | 91.3 Ų | 91.3 | 59% | 0.585 | 52% | 0.523 | S | S | * | . | trans | -57.3 | 112.7 | 159.3 | -61.9 | 170.5 | 0 | 0 | 0 | 105.6 | D344 P348 | D344-I346 PolarHBondContact O-N 2.83Å; D344-I346 VanDerWaalsContact O-N 3.12Å; I346-P348 WeakPolarHBondContact O-CD 3.49Å; I346-P348 VanDerWaalsContact O-N 3.09Å | ||
| 347 | A | 55.6 | Low | 62.7 | Low | 24 Ų | 24 | 97.5 Ų | 97.5 | 20% | 0.198 | 55% | 0.55 | C | S | . | . | trans | -52.3 | 122.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | N345 M349 I352 | N345-A347 PolarHBondContact O-N 3.5Å; N345-A347 VanDerWaalsContact O-N 3.1Å; A347-M349 PolarHBondContact O-N 3.41Å; A347-I352 HydrophobicContact CB-CG1 4.12Å | ||
| 348 | P | 59 | Low | 63.2 | Low | 87 Ų | 87 | 98.2 Ų | 98.2 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | trans | -56.5 | 145.1 | -178.6 | 19.5 | -29.1 | 0 | 0 | 0 | 109 | I346 Q350 S351 I352 | I346-P348 WeakPolarHBondContact O-CD 3.49Å; I346-P348 VanDerWaalsContact O-N 3.09Å; P348-Q350 PolarHBondContact O-N 3.41Å; P348-S351 WeakPolarHBondContact O-CA 3.39Å; P348-S351 VanDerWaalsContact O-CB 3.26Å; P348-S351 WeakPolarHBondContact O-CB 3.34Å; P348-S351 PolarHBondContact O-N 3.05Å; P348-I352 PolarHBondContact O-N 3.34Å | ||
| 349 | M | 52.8 | Low | 63.8 | Low | 168 Ų | 168 | 91.7 Ų | 91.7 | 83% | 0.828 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -51.5 | -29.2 | -176.5 | -78.1 | -178.8 | 76.2 | 0 | 0 | 113.3 | A347 I352 S353 | A347-M349 PolarHBondContact O-N 3.41Å; M349-I352 PolarHBondContact O-N 3.14Å; M349-S353 PolarHBondContact O-N 3.06Å |
| 350 | Q | 60.8 | Low | 64.5 | Low | 170 Ų | 170 | 90.4 Ų | 90.4 | 79% | 0.794 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -38.2 | 173 | -69.7 | -177.5 | -26.8 | 0 | 0 | 113.2 | P348 I352 S354 | P348-Q350 PolarHBondContact O-N 3.41Å; Q350-I352 VanDerWaalsContact C-N 3.35Å; Q350-S354 WeakPolarHBondContact O-CB 3.21Å; Q350-S354 PolarHBondContact O-N 3.06Å |
| 351 | S | 69.4 | Low | 66.2 | Low | 65 Ų | 65 | 88.1 Ų | 88.1 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | P348 G355 | P348-S351 WeakPolarHBondContact O-CA 3.39Å; P348-S351 VanDerWaalsContact O-CB 3.26Å; P348-S351 WeakPolarHBondContact O-CB 3.34Å; P348-S351 PolarHBondContact O-N 3.05Å; S351-G355 PolarHBondContact O-N 3.22Å |
| 352 | I | 74.2 | Confident | 67.3 | Low | 28 Ų | 28 | 88 Ų | 88 | 14% | 0.144 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.1 | -44.5 | 178.6 | -62.6 | 177.2 | 0 | 0 | 0 | 110.6 | Y78 L81 A347 P348 M349 Q350 G355 L356 | Y78-I352 HydrophobicContact CE2-CD1 3.98Å; L81-I352 HydrophobicContact CB-CG2 4.02Å; L81-I352 HydrophobicContact CD1-CG2 3.82Å; L81-I352 HydrophobicContact CG-CG2 4.5Å; A347-I352 HydrophobicContact CB-CG1 4.12Å; P348-I352 PolarHBondContact O-N 3.34Å; M349-I352 PolarHBondContact O-N 3.14Å; Q350-I352 VanDerWaalsContact C-N 3.35Å; I352-G355 PolarHBondContact O-N 3.44Å; I352-L356 WeakPolarHBondContact O-CB 3.43Å; I352-L356 PolarHBondContact O-N 3.22Å |
| 353 | S | 76.1 | Confident | 68.4 | Low | 80 Ų | 80 | 86.6 Ų | 86.6 | 56% | 0.559 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.4 | -40 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | M349 L356 K357 | M349-S353 PolarHBondContact O-N 3.06Å; S353-L356 PolarHBondContact O-N 2.99Å; S353-K357 WeakPolarHBondContact O-CB 3.48Å; S353-K357 PolarHBondContact O-N 3.02Å |
| 354 | S | 74.3 | Confident | 69.9 | Low | 71 Ų | 71 | 80.9 Ų | 80.9 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 173.6 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | Q350 L356 K357 E358 | Q350-S354 WeakPolarHBondContact O-CB 3.21Å; Q350-S354 PolarHBondContact O-N 3.06Å; S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 3.21Å; S354-K357 PolarHBondContact O-N 3.4Å; S354-E358 WeakPolarHBondContact O-CB 3.23Å; S354-E358 PolarHBondContact O-N 3.03Å |
| 355 | G | 74.7 | Confident | 71.4 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S351 I352 T359 | S351-G355 PolarHBondContact O-N 3.22Å; I352-G355 PolarHBondContact O-N 3.44Å; G355-T359 WeakPolarHBondContact O-CB 3.47Å; G355-T359 PolarHBondContact O-N 3.23Å; G355-T359 PolarHBondContact O-OG1 2.86Å |
| 356 | L | 79.9 | Confident | 72.7 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 173.5 | 179.7 | 62.4 | 0 | 0 | 0 | 112 | L81 I94 F98 I352 S353 S354 T359 M360 | L81-L356 HydrophobicContact CD1-CB 4.25Å; L81-L356 HydrophobicContact CD1-CD1 4.42Å; I94-L356 HydrophobicContact CG2-CD1 4.38Å; F98-L356 HydrophobicContact CE2-CD1 3.62Å; F98-L356 HydrophobicContact CZ-CD1 3.67Å; I352-L356 WeakPolarHBondContact O-CB 3.43Å; I352-L356 PolarHBondContact O-N 3.22Å; S353-L356 PolarHBondContact O-N 2.99Å; S354-L356 VanDerWaalsContact C-N 3.31Å; S354-L356 PolarHBondContact O-N 3.21Å; L356-T359 PolarHBondContact O-N 3.46Å; L356-M360 HydrophobicContact CD1-CG 3.94Å; L356-M360 HydrophobicContact CG-CG 4.39Å; L356-M360 WeakPolarHBondContact O-CB 3.47Å; L356-M360 VanDerWaalsContact O-CG 3.3Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.41Å |
| 357 | K | 80.6 | Confident | 74 | Confident | 168 Ų | 168 | 75 Ų | 75 | 73% | 0.73 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 178.3 | -179 | -177.5 | 176.9 | -174.5 | 0 | 111.4 | S353 S354 T359 M360 N361 | S353-K357 WeakPolarHBondContact O-CB 3.48Å; S353-K357 PolarHBondContact O-N 3.02Å; S354-K357 PolarHBondContact O-N 3.4Å; K357-T359 VanDerWaalsContact C-N 3.33Å; K357-M360 PolarHBondContact O-N 2.92Å; K357-N361 PolarHBondContact O-N 3.36Å |
| 358 | E | 76.1 | Confident | 75 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 175.9 | -174 | 171.1 | -170.1 | 0 | 0 | 110.9 | R91 S354 M360 N361 | R91-E358 PolarHBondContact NE-O 3.26Å; R91-E358 PolarHBondContact NH2-O 3.46Å; S354-E358 WeakPolarHBondContact O-CB 3.23Å; S354-E358 PolarHBondContact O-N 3.03Å; E358-M360 PolarHBondContact O-N 2.92Å; E358-N361 PolarHBondContact O-N 3.47Å |
| 359 | T | 76.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.6 | -68.8 | 0 | 0 | 0 | 0 | 112 | Y84 R91 I94 R95 G355 L356 K357 N361 | Y84-T359 PolarHBondContact OH-OG1 3.27Å; R91-T359 HydrophobicContact CB-CG2 4.33Å; R91-T359 HydrophobicContact CG-CG2 4.04Å; R91-T359 PolarHBondContact NE-O 2.99Å; R91-T359 WeakPolarHBondContact O-CG2 3.47Å; I94-T359 HydrophobicContact CB-CG2 3.75Å; I94-T359 HydrophobicContact CD1-CG2 4.22Å; I94-T359 HydrophobicContact CG2-CG2 3.63Å; R95-T359 HydrophobicContact CG-CG2 4.34Å; R95-T359 VanDerWaalsContact CZ-O 3.28Å; R95-T359 PolarHBondContact NE-O 3.15Å; R95-T359 PolarHBondContact NH2-O 3.34Å; R95-T359 VanDerWaalsContact NH2-O 3.11Å; G355-T359 WeakPolarHBondContact O-CB 3.47Å; G355-T359 PolarHBondContact O-N 3.23Å; G355-T359 PolarHBondContact O-OG1 2.86Å; L356-T359 PolarHBondContact O-N 3.46Å; K357-T359 VanDerWaalsContact C-N 3.33Å; T359-N361 VanDerWaalsContact C-N 3.34Å; T359-N361 PolarHBondContact O-N 2.85Å |
| 360 | M | 79.3 | Confident | 77.3 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.6 | -8.2 | -177.1 | -69 | -110.9 | 68.1 | 0 | 0 | 114.6 | R95 F98 L356 K357 E358 P362 | R95-M360 HydrophobicContact CG-CE 4.32Å; F98-M360 HydrophobicContact CD2-CE 3.97Å; F98-M360 HydrophobicContact CD2-SD 3.89Å; F98-M360 HydrophobicContact CE2-CE 4.41Å; F98-M360 HydrophobicContact CE2-CG 4.39Å; F98-M360 HydrophobicContact CE2-SD 3.77Å; F98-M360 HydrophobicContact CG-CE 4.47Å; F98-M360 HydrophobicContact CG-SD 4.42Å; F98-M360 HydrophobicContact CZ-SD 4.21Å; L356-M360 HydrophobicContact CD1-CG 3.94Å; L356-M360 HydrophobicContact CG-CG 4.39Å; L356-M360 WeakPolarHBondContact O-CB 3.47Å; L356-M360 VanDerWaalsContact O-CG 3.3Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.41Å; K357-M360 PolarHBondContact O-N 2.92Å; E358-M360 PolarHBondContact O-N 2.92Å; M360-P362 WeakPolarHBondContact O-CD 3.36Å |
| 361 | N | 82.1 | Confident | 78 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 47% | 0.465 | 36% | 0.357 | S | S | . | . | trans | -66 | 120.7 | -179.4 | -177.1 | -3 | 0 | 0 | 0 | 111.1 | R91 R95 K357 E358 T359 G363 | R91-N361 PolarHBondContact NH2-O 3.22Å; R95-N361 PolarHBondContact NH2-O 2.66Å; K357-N361 PolarHBondContact O-N 3.36Å; E358-N361 PolarHBondContact O-N 3.47Å; T359-N361 VanDerWaalsContact C-N 3.34Å; T359-N361 PolarHBondContact O-N 2.85Å; N361-G363 PolarHBondContact O-N 2.91Å; N361-G363 PolarHBondContact OD1-N 3Å | ||
| 362 | P | 79.8 | Confident | 78.2 | Confident | 64 Ų | 64 | 61.6 Ų | 61.6 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 5.1 | 179.8 | 33.1 | -37.2 | 0 | 0 | 0 | 114.4 | F133 M360 D364 M365 V366 | F133-P362 HydrophobicContact CE2-CB 4.45Å; M360-P362 WeakPolarHBondContact O-CD 3.36Å; P362-D364 PolarHBondContact O-N 3.17Å; P362-D364 VanDerWaalsContact O-N 3.16Å; P362-M365 WeakPolarHBondContact O-CB 3.23Å; P362-M365 PolarHBondContact O-N 2.9Å; P362-V366 PolarHBondContact O-N 3.45Å |
| 363 | G | 78.2 | Confident | 78.4 | Confident | 27 Ų | 27 | 65.5 Ų | 65.5 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -50.9 | -38.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N361 M365 V366 Q367 | N361-G363 PolarHBondContact O-N 2.91Å; N361-G363 PolarHBondContact OD1-N 3Å; G363-M365 VanDerWaalsContact C-N 3.33Å; G363-M365 PolarHBondContact O-N 3.38Å; G363-V366 PolarHBondContact O-N 2.79Å; G363-Q367 PolarHBondContact O-N 3.04Å |
| 364 | D | 79.4 | Confident | 78.2 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 17% | 0.171 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -38.8 | -179.7 | -22.9 | -50 | 0 | 0 | 0 | 111.7 | R91 R95 P362 V366 Q367 D368 | R91-D364 IonicContact CZ-OD1 2.77Å; R91-D364 IonicContact CZ-OD2 2.96Å; R91-D364 IonicContact NE-OD2 2.81Å; R91-D364 IonicContact NH1-OD1 3.24Å; R91-D364 PolarHBondContact NH1-OD1 3.22Å; R91-D364 IonicContact NH1-OD2 2.72Å; R91-D364 PolarHBondContact NH1-OD2 3.26Å; R91-D364 IonicContact NH2-OD1 3.19Å; R91-D364 PolarHBondContact NH2-OD1 3.32Å; R91-D364 IonicContact NH2-OD2 3.14Å; R91-D364 PolarHBondContact NH2-OD2 3.09Å; R95-D364 IonicContact CZ-OD2 2.84Å; R95-D364 IonicContact NH1-OD2 2.86Å; R95-D364 PolarHBondContact NH1-OD2 3.47Å; R95-D364 VanDerWaalsContact NH1-OD2 3.13Å; R95-D364 IonicContact NH2-OD2 3.53Å; R95-D364 PolarHBondContact NH2-OD2 3.01Å; P362-D364 PolarHBondContact O-N 3.17Å; P362-D364 VanDerWaalsContact O-N 3.16Å; D364-V366 VanDerWaalsContact C-N 3.29Å; D364-V366 PolarHBondContact O-N 3.49Å; D364-Q367 PolarHBondContact O-N 2.96Å; D364-D368 VanDerWaalsContact O-CB 3.3Å; D364-D368 WeakPolarHBondContact O-CB 3.27Å; D364-D368 PolarHBondContact O-N 3.17Å |
| 365 | M | 82.3 | Confident | 77.4 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 19% | 0.187 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -40 | 177.4 | -173.5 | -177.6 | 67.2 | 0 | 0 | 111.1 | F133 Y136 L190 C193 P362 G363 A369 | F133-M365 HydrophobicContact CD2-SD 4.02Å; F133-M365 HydrophobicContact CE2-SD 4.47Å; Y136-M365 HydrophobicContact CD1-CB 4.02Å; Y136-M365 HydrophobicContact CD1-CG 3.82Å; Y136-M365 HydrophobicContact CD1-SD 4.05Å; Y136-M365 HydrophobicContact CD2-CG 4.16Å; Y136-M365 HydrophobicContact CE1-CB 3.52Å; Y136-M365 HydrophobicContact CE1-CG 3.77Å; Y136-M365 HydrophobicContact CE2-CB 4.41Å; Y136-M365 HydrophobicContact CE2-CG 4.12Å; Y136-M365 HydrophobicContact CG-CG 4.02Å; Y136-M365 HydrophobicContact CG-SD 4.24Å; Y136-M365 WeakPolarHBondContact OH-CA 3.43Å; Y136-M365 PolarHBondContact OH-N 2.86Å; L190-M365 HydrophobicContact CD2-CG 3.95Å; C193-M365 HydrophobicContact CB-SD 4Å; P362-M365 WeakPolarHBondContact O-CB 3.23Å; P362-M365 PolarHBondContact O-N 2.9Å; G363-M365 VanDerWaalsContact C-N 3.33Å; G363-M365 PolarHBondContact O-N 3.38Å; M365-A369 WeakPolarHBondContact O-CB 3.44Å; M365-A369 PolarHBondContact O-N 3.17Å |
| 366 | V | 81.8 | Confident | 76.5 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 47% | 0.473 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.8 | -43.2 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | P362 G363 D364 D368 A369 I370 | P362-V366 PolarHBondContact O-N 3.45Å; G363-V366 PolarHBondContact O-N 2.79Å; D364-V366 VanDerWaalsContact C-N 3.29Å; D364-V366 PolarHBondContact O-N 3.49Å; V366-D368 VanDerWaalsContact C-N 3.34Å; V366-D368 PolarHBondContact O-N 2.71Å; V366-A369 WeakPolarHBondContact O-CB 3.39Å; V366-A369 PolarHBondContact O-N 3.08Å; V366-I370 HydrophobicContact CG1-CD1 3.97Å; V366-I370 VanDerWaalsContact O-CG1 3.29Å; V366-I370 WeakPolarHBondContact O-CG1 3.42Å; V366-I370 PolarHBondContact O-N 2.85Å |
| 367 | Q | 80.4 | Confident | 75.2 | Confident | 142 Ų | 142 | 68 Ų | 68 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 177 | -172.7 | 168.5 | -8.2 | 0 | 0 | 111.5 | G363 D364 I370 H371 | G363-Q367 PolarHBondContact O-N 3.04Å; D364-Q367 PolarHBondContact O-N 2.96Å; Q367-I370 PolarHBondContact O-N 3.04Å; Q367-H371 WeakPolarHBondContact O-CB 3.38Å; Q367-H371 PolarHBondContact O-N 3.45Å |
| 368 | D | 77.4 | Confident | 73.9 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 173.7 | -89.6 | -20.6 | 0 | 0 | 0 | 112.6 | Y136 K186 L190 D364 V366 H371 N372 | Y136-D368 HydrophobicContact CE2-CB 4.36Å; Y136-D368 PolarHBondContact OH-OD2 3.21Å; K186-D368 VanDerWaalsContact CE-OD1 3.3Å; K186-D368 WeakPolarHBondContact CE-OD1 3.21Å; K186-D368 WeakPolarHBondContact CE-OD2 3.48Å; K186-D368 IonicContact NZ-OD1 2.85Å; K186-D368 PolarHBondContact NZ-OD1 2.75Å; K186-D368 IonicContact NZ-OD2 2.8Å; K186-D368 PolarHBondContact NZ-OD2 3.24Å; L190-D368 HydrophobicContact CD1-CB 4.35Å; D364-D368 VanDerWaalsContact O-CB 3.3Å; D364-D368 WeakPolarHBondContact O-CB 3.27Å; D364-D368 PolarHBondContact O-N 3.17Å; V366-D368 VanDerWaalsContact C-N 3.34Å; V366-D368 PolarHBondContact O-N 2.71Å; D368-H371 PolarHBondContact O-N 3.05Å; D368-N372 WeakPolarHBondContact O-CB 3.38Å; D368-N372 PolarHBondContact O-N 3.26Å; D368-N372 PolarHBondContact O-ND2 2.94Å |
| 369 | A | 78.2 | Confident | 72.6 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L190 M365 V366 H371 N372 F373 | L190-A369 HydrophobicContact CD2-CB 4.35Å; M365-A369 WeakPolarHBondContact O-CB 3.44Å; M365-A369 PolarHBondContact O-N 3.17Å; V366-A369 WeakPolarHBondContact O-CB 3.39Å; V366-A369 PolarHBondContact O-N 3.08Å; A369-H371 VanDerWaalsContact C-N 3.34Å; A369-H371 PolarHBondContact O-N 3.33Å; A369-N372 PolarHBondContact O-N 2.88Å; A369-F373 HydrophobicContact CB-CD2 4.46Å; A369-F373 WeakPolarHBondContact O-CB 3.36Å; A369-F373 VanDerWaalsContact O-CD2 3.28Å; A369-F373 WeakPolarHBondContact O-CD2 3.4Å; A369-F373 PolarHBondContact O-N 3.3Å |
| 370 | I | 81.1 | Confident | 71.4 | Confident | 109 Ų | 109 | 72.8 Ų | 72.8 | 56% | 0.559 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.6 | -46.2 | 176.5 | -67.2 | 166 | 0 | 0 | 0 | 109.8 | V366 Q367 N372 S374 | V366-I370 HydrophobicContact CG1-CD1 3.97Å; V366-I370 VanDerWaalsContact O-CG1 3.29Å; V366-I370 WeakPolarHBondContact O-CG1 3.42Å; V366-I370 PolarHBondContact O-N 2.85Å; Q367-I370 PolarHBondContact O-N 3.04Å; I370-N372 PolarHBondContact O-N 2.99Å; I370-S374 WeakPolarHBondContact O-CA 3.43Å; I370-S374 WeakPolarHBondContact O-CB 3.25Å; I370-S374 PolarHBondContact O-N 3.31Å |
| 371 | H | 77.1 | Confident | 70 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 32% | 0.315 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 179.9 | -176.2 | -103.3 | 0 | 0 | 0 | 112.5 | Q367 D368 A369 Y377 | Q367-H371 WeakPolarHBondContact O-CB 3.38Å; Q367-H371 PolarHBondContact O-N 3.45Å; D368-H371 PolarHBondContact O-N 3.05Å; A369-H371 VanDerWaalsContact C-N 3.34Å; A369-H371 PolarHBondContact O-N 3.33Å; H371-Y377 AromaticContact CE1-CE2 3.83Å; H371-Y377 AromaticContact CE1-CZ 3.99Å; H371-Y377 AromaticContact NE2-CD2 3.47Å; H371-Y377 WeakPolarHBondContact NE2-CD2 3.08Å; H371-Y377 AromaticContact NE2-CE2 3.22Å; H371-Y377 WeakPolarHBondContact NE2-CE2 3.31Å; H371-Y377 AromaticContact NE2-CZ 3.84Å |
| 372 | N | 73 | Confident | 68.4 | Low | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -79.4 | -27.7 | -174 | -74.9 | -63.3 | 0 | 0 | 0 | 114.1 | R183 K186 Q187 L190 D368 A369 I370 | R183-N372 PolarHBondContact NE-O 3.06Å; R183-N372 PolarHBondContact NH2-O 3.26Å; K186-N372 VanDerWaalsContact CD-ND2 3.3Å; K186-N372 WeakPolarHBondContact CD-ND2 3.42Å; K186-N372 WeakPolarHBondContact CE-ND2 3.36Å; Q187-N372 HydrophobicContact CG-CB 4.1Å; Q187-N372 PolarHBondContact NE2-O 2.84Å; L190-N372 HydrophobicContact CD1-CB 4.16Å; D368-N372 WeakPolarHBondContact O-CB 3.38Å; D368-N372 PolarHBondContact O-N 3.26Å; D368-N372 PolarHBondContact O-ND2 2.94Å; A369-N372 PolarHBondContact O-N 2.88Å; I370-N372 PolarHBondContact O-N 2.99Å |
| 373 | F | 77.9 | Confident | 66.7 | Low | 109 Ų | 109 | 75.6 Ų | 75.6 | 48% | 0.478 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -102.5 | -10.9 | 178.5 | -66.1 | -71.6 | 0 | 0 | 0 | 114 | Q187 L190 A369 | Q187-F373 HydrophobicContact CB-CE1 4.34Å; Q187-F373 HydrophobicContact CB-CZ 4.17Å; Q187-F373 HydrophobicContact CG-CE1 4.18Å; Q187-F373 HydrophobicContact CG-CZ 4.25Å; L190-F373 HydrophobicContact CB-CE2 3.84Å; L190-F373 HydrophobicContact CB-CZ 4.43Å; L190-F373 HydrophobicContact CD1-CE2 4.42Å; A369-F373 HydrophobicContact CB-CD2 4.46Å; A369-F373 WeakPolarHBondContact O-CB 3.36Å; A369-F373 VanDerWaalsContact O-CD2 3.28Å; A369-F373 WeakPolarHBondContact O-CD2 3.4Å; A369-F373 PolarHBondContact O-N 3.3Å |
| 374 | S | 73.1 | Confident | 64.9 | Low | 39 Ų | 39 | 77 Ų | 77 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | trans | -67.3 | 130.9 | 178.7 | 174 | 0 | 0 | 0 | 0 | 111.7 | I370 A376 Y377 | I370-S374 WeakPolarHBondContact O-CA 3.43Å; I370-S374 WeakPolarHBondContact O-CB 3.25Å; I370-S374 PolarHBondContact O-N 3.31Å; S374-A376 PolarHBondContact O-N 2.94Å; S374-A376 PolarHBondContact OG-N 3.46Å; S374-Y377 PolarHBondContact O-N 3.4Å | ||
| 375 | P | 56.3 | Low | 63 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 62% | 0.617 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.6 | 176.9 | 24.6 | -31.1 | 0 | 0 | 0 | 113.2 | Y377 Q378 | P375-Y377 VanDerWaalsContact C-N 3.25Å; P375-Y377 PolarHBondContact O-N 3.5Å; P375-Q378 PolarHBondContact O-N 2.9Å |
| 376 | A | 56.1 | Low | 60.8 | Low | 54 Ų | 54 | 85 Ų | 85 | 45% | 0.446 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.3 | -27.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S374 | S374-A376 PolarHBondContact O-N 2.94Å; S374-A376 PolarHBondContact OG-N 3.46Å |
| 377 | Y | 52.8 | Low | 58.8 | Low | 80 Ų | 80 | 89 Ų | 89 | 31% | 0.314 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.4 | -24.1 | -178.9 | -156.9 | -97.4 | 0 | 0 | 0 | 113.4 | H371 S374 P375 Q379 Y380 T381 | H371-Y377 AromaticContact CE1-CE2 3.83Å; H371-Y377 AromaticContact CE1-CZ 3.99Å; H371-Y377 AromaticContact NE2-CD2 3.47Å; H371-Y377 WeakPolarHBondContact NE2-CD2 3.08Å; H371-Y377 AromaticContact NE2-CE2 3.22Å; H371-Y377 WeakPolarHBondContact NE2-CE2 3.31Å; H371-Y377 AromaticContact NE2-CZ 3.84Å; S374-Y377 PolarHBondContact O-N 3.4Å; P375-Y377 VanDerWaalsContact C-N 3.25Å; P375-Y377 PolarHBondContact O-N 3.5Å; Y377-Q379 PolarHBondContact O-N 3.43Å; Y377-Q379 VanDerWaalsContact O-N 3.14Å; Y377-Y380 PolarHBondContact O-N 3.47Å; Y377-T381 PolarHBondContact O-N 3.4Å; Y377-T381 PolarHBondContact O-OG1 3.19Å |
| 378 | Q | 53.3 | Low | 57 | Low | 109 Ų | 109 | 87.9 Ų | 87.9 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.4 | -28.9 | 176.1 | -65.8 | -178 | -10.8 | 0 | 0 | 111.4 | P375 Q382 | P375-Q378 PolarHBondContact O-N 2.9Å; Q378-Q382 WeakPolarHBondContact O-CB 3.36Å; Q378-Q382 WeakPolarHBondContact O-CG 3.37Å; Q378-Q382 PolarHBondContact O-N 3.31Å |
| 379 | Q | 48.8 | Very low | 55.1 | Low | 125 Ų | 125 | 91.5 Ų | 91.5 | 58% | 0.584 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.5 | -36.7 | 177.6 | -63 | -177.9 | -18.9 | 0 | 0 | 112.4 | Y377 Q383 | Y377-Q379 PolarHBondContact O-N 3.43Å; Y377-Q379 VanDerWaalsContact O-N 3.14Å; Q379-Q383 VanDerWaalsContact O-CB 3.32Å; Q379-Q383 WeakPolarHBondContact O-CB 3.26Å; Q379-Q383 WeakPolarHBondContact O-CG 3.27Å; Q379-Q383 PolarHBondContact O-N 3.34Å |
| 380 | Y | 51.5 | Low | 52.9 | Low | 154 Ų | 154 | 98.5 Ų | 98.5 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.5 | -38.8 | 176.9 | -78.9 | -86.2 | 0 | 0 | 0 | 112.5 | Y377 S384 | Y377-Y380 PolarHBondContact O-N 3.47Å; Y380-S384 PolarHBondContact O-N 3.2Å; Y380-S384 PolarHBondContact O-OG 3.43Å |
| 381 | T | 49.5 | Very low | 50.6 | Low | 38 Ų | 38 | 98.7 Ų | 98.7 | 23% | 0.233 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -73.8 | -33.9 | 179 | -9.2 | 0 | 0 | 0 | 0 | 112.2 | Y377 S384 T385 | Y377-T381 PolarHBondContact O-N 3.4Å; Y377-T381 PolarHBondContact O-OG1 3.19Å; T381-S384 WeakPolarHBondContact CA-OG 3.47Å; T381-S384 PolarHBondContact O-OG 3.46Å; T381-T385 WeakPolarHBondContact O-CB 3.28Å; T381-T385 PolarHBondContact O-N 2.87Å; T381-T385 VanDerWaalsContact O-N 3.08Å; T381-T385 PolarHBondContact O-OG1 3.28Å |
| 382 | Q | 48.6 | Very low | 48.7 | Very low | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.1 | -36.5 | 173.5 | -73.1 | 176.5 | 13.2 | 0 | 0 | 112.2 | Q378 T385 Q386 | Q378-Q382 WeakPolarHBondContact O-CB 3.36Å; Q378-Q382 WeakPolarHBondContact O-CG 3.37Å; Q378-Q382 PolarHBondContact O-N 3.31Å; Q382-T385 PolarHBondContact O-N 3.18Å; Q382-Q386 WeakPolarHBondContact O-CB 3.24Å; Q382-Q386 PolarHBondContact O-N 3.34Å |
| 383 | Q | 44.1 | Very low | 46.7 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.3 | -44.3 | 176 | -78 | 170.4 | 2.9 | 0 | 0 | 112.5 | Q379 T385 Q386 E387 | Q379-Q383 VanDerWaalsContact O-CB 3.32Å; Q379-Q383 WeakPolarHBondContact O-CB 3.26Å; Q379-Q383 WeakPolarHBondContact O-CG 3.27Å; Q379-Q383 PolarHBondContact O-N 3.34Å; Q383-T385 VanDerWaalsContact C-N 3.32Å; Q383-T385 PolarHBondContact O-N 3Å; Q383-Q386 PolarHBondContact O-N 3.34Å; Q383-E387 PolarHBondContact O-N 3.46Å |
| 384 | S | 40.9 | Very low | 44.6 | Very low | 57 Ų | 57 | 111.9 Ų | 111.9 | 40% | 0.399 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.4 | -31.3 | 175.6 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | Y380 T381 V388 | Y380-S384 PolarHBondContact O-N 3.2Å; Y380-S384 PolarHBondContact O-OG 3.43Å; T381-S384 WeakPolarHBondContact CA-OG 3.47Å; T381-S384 PolarHBondContact O-OG 3.46Å; S384-V388 VanDerWaalsContact O-CG2 3.27Å; S384-V388 WeakPolarHBondContact O-CG2 3.39Å; S384-V388 PolarHBondContact O-N 2.82Å |
| 385 | T | 39.5 | Very low | 42.6 | Very low | 85 Ų | 85 | 118 Ų | 118 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.6 | -35.1 | 171 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | T381 Q382 Q383 V388 V389 | T381-T385 WeakPolarHBondContact O-CB 3.28Å; T381-T385 PolarHBondContact O-N 2.87Å; T381-T385 VanDerWaalsContact O-N 3.08Å; T381-T385 PolarHBondContact O-OG1 3.28Å; Q382-T385 PolarHBondContact O-N 3.18Å; Q383-T385 VanDerWaalsContact C-N 3.32Å; Q383-T385 PolarHBondContact O-N 3Å; T385-V388 PolarHBondContact O-N 2.97Å; T385-V389 HydrophobicContact CG2-CG2 4.49Å; T385-V389 VanDerWaalsContact O-CG2 3.26Å; T385-V389 WeakPolarHBondContact O-CG2 3.19Å; T385-V389 PolarHBondContact O-N 3.28Å |
| 386 | Q | 35.7 | Very low | 41.6 | Very low | 151 Ų | 151 | 116.9 Ų | 116.9 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.2 | -34.4 | 175.7 | -99.7 | 178.6 | -14.9 | 0 | 0 | 113.5 | Q382 Q383 V388 V389 | Q382-Q386 WeakPolarHBondContact O-CB 3.24Å; Q382-Q386 PolarHBondContact O-N 3.34Å; Q383-Q386 PolarHBondContact O-N 3.34Å; Q386-V388 VanDerWaalsContact C-N 3.29Å; Q386-V388 PolarHBondContact O-N 3.26Å; Q386-V389 PolarHBondContact O-N 3.22Å |
| 387 | E | 40.1 | Very low | 40.3 | Very low | 163 Ų | 163 | 124.4 Ų | 124.4 | 76% | 0.762 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -29.4 | 173.6 | -80.1 | -175.3 | 150.4 | 0 | 0 | 112.7 | Q383 | Q383-E387 PolarHBondContact O-N 3.46Å |
| 388 | V | 42.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -84.1 | -19 | 180 | 179 | 0 | 0 | 0 | 0 | 112.8 | S384 T385 Q386 | S384-V388 VanDerWaalsContact O-CG2 3.27Å; S384-V388 WeakPolarHBondContact O-CG2 3.39Å; S384-V388 PolarHBondContact O-N 2.82Å; T385-V388 PolarHBondContact O-N 2.97Å; Q386-V388 VanDerWaalsContact C-N 3.29Å; Q386-V388 PolarHBondContact O-N 3.26Å |
| 389 | V | 37.4 | Very low | 38.3 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -94 | -0.6 | -176.4 | 175.6 | 0 | 0 | 0 | 0 | 113.4 | T385 Q386 P391 | T385-V389 HydrophobicContact CG2-CG2 4.49Å; T385-V389 VanDerWaalsContact O-CG2 3.26Å; T385-V389 WeakPolarHBondContact O-CG2 3.19Å; T385-V389 PolarHBondContact O-N 3.28Å; Q386-V389 PolarHBondContact O-N 3.22Å; V389-P391 WeakPolarHBondContact O-CD 3.17Å |
| 390 | Q | 30.8 | Very low | 37.3 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -72.7 | 113.3 | 174.5 | -134.5 | 171.6 | 35.1 | 0 | 0 | 110.1 | S392 | Q390-S392 PolarHBondContact O-N 3Š| ||
| 391 | P | 33.3 | Very low | 36.2 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | trans | -69.5 | 125.9 | 174.4 | -2.8 | 19.5 | 0 | 0 | 0 | 107.5 | V389 Q393 | V389-P391 WeakPolarHBondContact O-CD 3.17Å; P391-Q393 VanDerWaalsContact C-N 3.28Å; P391-Q393 PolarHBondContact O-N 3.15Å | ||
| 392 | S | 36.3 | Very low | 35.1 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -60.6 | 91.9 | 167.3 | -174.7 | 0 | 0 | 0 | 0 | 109 | Q390 | Q390-S392 PolarHBondContact O-N 3Š| ||
| 393 | Q | 32.7 | Very low | 34.1 | Very low | 192 Ų | 192 | 124 Ų | 124 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -97.4 | 80 | 162.7 | -124.4 | -176.1 | 7.5 | 0 | 0 | 107.5 | P391 N395 | P391-Q393 VanDerWaalsContact C-N 3.28Å; P391-Q393 PolarHBondContact O-N 3.15Å; Q393-N395 PolarHBondContact O-N 3.28Å | ||
| 394 | N | 33.4 | Very low | 33.3 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -76.8 | 105.5 | 170.2 | -134.4 | 7.8 | 0 | 0 | 0 | 107.8 | ||||
| 395 | N | 31.6 | Very low | 33.2 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -149 | 122.9 | 156.8 | -124.4 | -2.3 | 0 | 0 | 0 | 110 | Q393 | Q393-N395 PolarHBondContact O-N 3.28Š| ||
| 396 | G | 34.1 | Very low | 32.7 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -78.6 | 159.1 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 397 | K | 29.2 | Very low | 32.7 | Very low | 213 Ų | 213 | 130.2 Ų | 130.2 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -173.1 | 135.7 | 133.4 | -113 | 172.3 | 178.3 | 175.1 | 0 | 110.6 | ||||
| 398 | A | 35.1 | Very low | 32.5 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -63.1 | 143.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 399 | G | 28.1 | Very low | 32.1 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -175.5 | 120.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 400 | T | 29.4 | Very low | 32 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 91% | 0.908 | 82% | 0.82 | S | S | * | * | trans | -70 | 148 | -173.2 | 41.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 401 | G | 27.5 | Very low | 32.1 | Very low | 86 Ų | 86 | 131 Ų | 131 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | 102.8 | 126.7 | 139 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 402 | G | 25.7 | Very low | 32.2 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 142.3 | 107.8 | 158 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 403 | S | 29 | Very low | 32.4 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 137.7 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 404 | S | 28 | Very low | 32.5 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | 168.4 | 136.9 | 117.7 | 61 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 405 | K | 37.6 | Very low | 32.5 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | trans | 56 | 97.7 | 151.9 | -76.5 | 177.8 | 172.7 | 173.4 | 0 | 119.8 | ||||
| 406 | S | 29.8 | Very low | 32.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -164.9 | 91.6 | 133.9 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 407 | S | 34.5 | Very low | 33.2 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -123 | 36.1 | -177.6 | -173.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 408 | K | 35.9 | Very low | 33.6 | Very low | 196 Ų | 196 | 125.2 Ų | 125.2 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -132.9 | 2.5 | -178.9 | -94.1 | -175.6 | 175.6 | 178.9 | 0 | 116 | ||
| 409 | K | 35.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 127 Ų | 127 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -109.4 | -23.6 | -175.5 | -142.2 | 178.2 | -179.3 | -172.1 | 0 | 114.3 | ||
| 410 | S | 34.7 | Very low | 34.5 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -75.2 | -28.1 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | K412 V413 L414 | S410-K412 PolarHBondContact O-N 3.01Å; S410-V413 PolarHBondContact O-N 2.82Å; S410-L414 PolarHBondContact O-N 3.28Å |
| 411 | D | 33.2 | Very low | 34.9 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -70.3 | -19.3 | -176.9 | -60.8 | -24.9 | 0 | 0 | 0 | 113.5 | ||
| 412 | K | 36.2 | Very low | 35.3 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -85.2 | -20 | 175.1 | -86.9 | -170.6 | 173.8 | -171.6 | 0 | 114.1 | S410 | S410-K412 PolarHBondContact O-N 3.01Å |
| 413 | V | 39.7 | Very low | 35.7 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -85.7 | -29.5 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | S410 | S410-V413 PolarHBondContact O-N 2.82Å |
| 414 | L | 34.3 | Very low | 36.1 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -74.9 | -24.6 | 179.9 | -151.2 | 85.5 | 0 | 0 | 0 | 113.5 | S410 I416 | S410-L414 PolarHBondContact O-N 3.28Å; L414-I416 PolarHBondContact O-N 3.3Å |
| 415 | L | 34 | Very low | 36.5 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -4.7 | -174.2 | -84.2 | 169.9 | 0 | 0 | 0 | 115.5 | ||
| 416 | I | 40.3 | Very low | 36.5 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -6.7 | -180 | -58.7 | 179.5 | 0 | 0 | 0 | 112 | L414 S418 | L414-I416 PolarHBondContact O-N 3.3Å; I416-S418 VanDerWaalsContact C-N 3.34Å |
| 417 | I | 40.5 | Very low | 36.9 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -86.5 | -8.4 | 179.2 | -57.4 | 175.8 | 0 | 0 | 0 | 111.6 | ||
| 418 | S | 38.3 | Very low | 37.1 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -97.4 | -2.6 | -169.8 | -55.1 | 0 | 0 | 0 | 0 | 116.2 | I416 | I416-S418 VanDerWaalsContact C-N 3.34Š|
| 419 | D | 38.9 | Very low | 37.1 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -102.6 | 6.5 | -175.5 | -76.2 | -16.9 | 0 | 0 | 0 | 114.5 | ||
| 420 | D | 42.3 | Very low | 37.3 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -109.3 | 29.7 | -178.7 | -78.9 | -30.1 | 0 | 0 | 0 | 114.5 | ||
| 421 | E | 37.2 | Very low | 37.5 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -135 | 96.6 | 161.2 | -82.1 | -171.3 | 133.4 | 0 | 0 | 109.6 | ||||
| 422 | F | 35.5 | Very low | 37.9 | Very low | 282 Ų | 282 | 150.5 Ų | 150.5 | 100% | 1.237 | 77% | 0.766 | S | S | * | * | -176.9 | 0 | 128.2 | -97.7 | -68 | 0 | 0 | 0 | 111.8 |
Retrieved 422 of 422 residues in 1013 ms
(Link to these results)